*HEADER    CYTOKINE                                23-NOV-98   1B1V              
*TITLE     NMR STRUCTURE OF PSP1, PLASMATOCYTE-SPREADING PEPTIDE FROM            
*TITLE    2 PSEUDOPLUSIA INCLUDENS                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLASMATOCYTE-SPREADING PEPTIDE;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PSP1;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THIS PEPTIDE IS NATURALLY FOUND IN THE                   
*SOURCE   5 HEMOLYMPH TISSUE OF PSEUDOPLUSIA INCLUDENS (SOYBEAN LOOPER           
*SOURCE   6 (MOTH)).                                                             
*KEYWDS    INSECT CYTOKINE, PLASMATOCYTE-SPREADING, EGF-LIKE                     
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    B.F.VOLKMAN, K.D.CLARK, M.E.ANDERSON, L.L.PECH, J.L.MARKLEY,          
*AUTHOR   2 M.R.STRAND                                                           
*REVDAT   2   15-DEC-99 1B1V    4       HEADER COMPND REMARK JRNL                
*REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
*REVDAT   1   02-DEC-98 1B1V    0                                                

  2 ASN  HA      3 PHE  HN      3.01                
  2 ASN  HB2     3 PHE  HN      4.13                
  2 ASN  HB3     3 PHE  HN      4.13                
  2 ASN  QB      3 PHE  HN      3.85                
  3 PHE  HN      3 PHE  HB2     3.37                
  3 PHE  HN      3 PHE  HB3     3.37                
  3 PHE  HN      3 PHE  QB      3.13                
  3 PHE  QD      4 ASN  HN      8.12                
  3 PHE  QD      4 ASN  HB2     8.12                
  3 PHE  QD      4 ASN  HB3     8.12                
  3 PHE  QD      5 GLY  HN      8.12                
  4 ASN  HN      4 ASN  HA      2.87                
  4 ASN  HN      4 ASN  HB2     3.59                
  4 ASN  HN      4 ASN  HB3     3.59                
  4 ASN  HN      4 ASN  QB      3.41                
  4 ASN  HN      4 ASN  QD2     6.87                
  4 ASN  HN      5 GLY  HN      3.34                
  4 ASN  HN      5 GLY  QA      5.15                
  4 ASN  HN      6 GLY  HN      4.42                
  4 ASN  HA      5 GLY  HN      3.26                
  4 ASN  HA      6 GLY  HN      4.49                
  4 ASN  QB      6 GLY  HN      5.47                
  4 ASN  QD2     5 GLY  QA      6.95                
  4 ASN  QD2     7 CYSS HA      6.61                
  4 ASN  QD2    10 GLY  HN      6.87                
  4 ASN  QD2    11 TYR  HN      6.69                
  5 GLY  HN      6 GLY  HN      2.94                
  5 GLY  HN      6 GLY  QA      4.72                
  5 GLY  HA1     6 GLY  HN      3.55                
  5 GLY  HA2     6 GLY  HN      3.55                
  5 GLY  QA      6 GLY  HN      3.04                
  5 GLY  QA     13 ARG  HE      6.37                
  6 GLY  HN      7 CYSS HN      2.98                
  6 GLY  HN      7 CYSS HA      4.74                
  7 CYSS HN      7 CYSS HB2     3.62                
  7 CYSS HN      7 CYSS HB3     3.62                
  7 CYSS HN      7 CYSS QB      3.39                
  7 CYSS HA      8 LEU  HN      2.80                
  7 CYSS HA     11 TYR  HB2     4.06                
  7 CYSS HA     19 CYSS QB      6.08                
  7 CYSS CB     19 CYSS CB      3.99  1.00E+01                 
  7 CYSS HB2     8 LEU  HN      3.62                
  7 CYSS HB2    11 TYR  HN      4.92                
  7 CYSS HB2    11 TYR  HB2     4.60                
  7 CYSS HB2    11 TYR  HB3     4.81                
  7 CYSS HB2    11 TYR  QD      8.14                
  7 CYSS HB2    19 CYSS HB2     6.64                
  7 CYSS HB2    19 CYSS HB3     6.64                
  7 CYSS HB3     8 LEU  HN      3.62                
  7 CYSS HB3    11 TYR  HN      4.92                
  7 CYSS HB3    11 TYR  HB2     4.60                
  7 CYSS HB3    11 TYR  HB3     4.81                
  7 CYSS HB3    11 TYR  QD      8.14                
  7 CYSS HB3    19 CYSS HB2     6.64                
  7 CYSS HB3    19 CYSS HB3     6.64                
  7 CYSS QB      8 LEU  HN      3.30                
  7 CYSS QB     11 TYR  HN      4.57                
  7 CYSS QB     11 TYR  HB2     4.01                
  7 CYSS QB     11 TYR  HB3     4.35                
  7 CYSS QB     11 TYR  QD      8.00                
  7 CYSS QB     12 MET  HN      6.88                
  7 CYSS QB     13 ARG  HN      6.88                
  7 CYSS QB     19 CYSS QB      5.27                
  7 CYSS QB     20 LYS  HN      6.88                
  7 CYSS SG     19 CYSS SG      2.10  1.00E+01                 
  8 LEU  HN      8 LEU  HB2     3.05                
  8 LEU  HN      8 LEU  HB3     3.05                
  8 LEU  HN      8 LEU  HG      4.27                
  8 LEU  HN      8 LEU  QD1     5.73                
  8 LEU  HN      8 LEU  QD2     5.73                
  8 LEU  HN      8 LEU  QQD     5.42                
  8 LEU  HN      9 ALA  HN      4.09                
  8 LEU  HN     11 TYR  HB2     3.80                
  8 LEU  HN     11 TYR  HB3     4.42                
  8 LEU  HN     11 TYR  QD      8.14                
  8 LEU  HN     19 CYSS QB      6.01                
  8 LEU  HA      8 LEU  HG      3.80                
  8 LEU  HA      8 LEU  QD1     6.27                
  8 LEU  HA      8 LEU  QD2     6.27                
  8 LEU  HB2     9 ALA  HN      3.88                
  8 LEU  HB2    11 TYR  QD      8.14                
  8 LEU  HB2    11 TYR  QE      7.81                
  8 LEU  HB3     9 ALA  HN      3.88                
  8 LEU  HB3    11 TYR  QD      8.14                
  8 LEU  HB3    11 TYR  QE      7.81                
  8 LEU  QB      8 LEU  HG      2.67                
  8 LEU  QB      9 ALA  HN      3.51                
  8 LEU  QB     11 TYR  QD      7.44                
  8 LEU  QB     11 TYR  QE      7.65                
  8 LEU  HG      9 ALA  HN      3.34                
  8 LEU  HG     11 TYR  QD      7.49                
  8 LEU  HG     11 TYR  QE      7.74                
  8 LEU  QD1     9 ALA  HN      6.13                
  8 LEU  QD1    11 TYR  QD      9.17                
  8 LEU  QD1    11 TYR  QE      9.16                
  8 LEU  QD2     9 ALA  HN      6.13                
  8 LEU  QD2    11 TYR  QD      9.17                
  8 LEU  QD2    11 TYR  QE      9.16                
  8 LEU  QQD     9 ALA  HN      5.47                
  9 ALA  HN      9 ALA  HA      2.47                
  9 ALA  HN      9 ALA  QB      3.57                
  9 ALA  HN     10 GLY  HN      4.16                
  9 ALA  HN     11 TYR  QD      8.14                
  9 ALA  HA     10 GLY  HN      3.16                
  9 ALA  HA     11 TYR  HN      4.13                
  9 ALA  QB     10 GLY  QA      7.51                
  9 ALA  QB     11 TYR  HN      6.88                
  9 ALA  QB     11 TYR  QD      9.17                
  9 ALA  QB     11 TYR  QE      9.16                
 10 GLY  HN     11 TYR  HN      3.19                
 10 GLY  HN     11 TYR  QD      8.14                
 10 GLY  QA     11 TYR  HD2     6.70                
 10 GLY  QA     22 THR  QG2     7.90                
 10 GLY  QA     23 PHE  QD      9.00                
 11 TYR  HN     11 TYR  HB2     3.34                
 11 TYR  HN     11 TYR  HB3     3.77                
 11 TYR  HN     11 TYR  QE      8.13                
 11 TYR  HN     19 CYSS QB      6.88                
 11 TYR  HN     21 PRO  HA      4.92                
 11 TYR  HN     22 THR  QG2     7.03                
 11 TYR  HA     12 MET  HN      2.90                
 11 TYR  HA     19 CYSS QB      6.44                
 11 TYR  HA     21 PRO  HA      2.94                
 11 TYR  HA     21 PRO  HB2     6.00                
 11 TYR  HA     22 THR  HN      3.23                
 11 TYR  HA     22 THR  QG2     6.42                
 11 TYR  HB2    12 MET  HN      3.95                
 11 TYR  HB2    19 CYSS HB2     4.38                
 11 TYR  HB2    19 CYSS HB3     4.38                
 11 TYR  HB2    19 CYSS QB      4.18                
 11 TYR  HB2    20 LYS  HN      6.00                
 11 TYR  HB3    19 CYSS QB      4.54                
 11 TYR  HB3    20 LYS  HN      5.78                
 11 TYR  HB3    21 PRO  HA      6.00                
 11 TYR  HB3    22 THR  HN      6.00                
 11 TYR  HB3    23 PHE  QE      8.12                
 11 TYR  QD     12 MET  HN      8.14                
 11 TYR  QD     19 CYSS HA      8.14                
 11 TYR  QD     19 CYSS HB2     6.84                
 11 TYR  QD     19 CYSS HB3     6.84                
 11 TYR  QD     19 CYSS QB      6.57                
 11 TYR  QD     20 LYS  HN      8.14                
 11 TYR  QD     20 LYS  HA      6.27                
 11 TYR  QD     21 PRO  HA      7.17                
 11 TYR  QD     21 PRO  HG2     8.14                
 11 TYR  QD     21 PRO  HG3     8.14                
 11 TYR  QD     21 PRO  HD2     8.14                
 11 TYR  QD     21 PRO  HD3     7.20                
 11 TYR  QD     22 THR  HN      8.14                
 11 TYR  QE     19 CYSS HB2     8.13                
 11 TYR  QE     19 CYSS HB3     8.13                
 11 TYR  QE     19 CYSS QB      7.96                
 11 TYR  QE     20 LYS  HA      7.77                
 11 TYR  QE     21 PRO  HA      7.63                
 11 TYR  QE     21 PRO  HG2     8.13                
 11 TYR  QE     21 PRO  HG3     8.13                
 11 TYR  QE     21 PRO  QG      7.43                
 11 TYR  QE     21 PRO  HD2     7.66                
 11 TYR  QE     21 PRO  HD3     6.37                
 11 TYR  QE     23 PHE  QE     10.25                
 12 MET  HN     12 MET  HB2     3.98                
 12 MET  HN     12 MET  HB3     3.98                
 12 MET  HN     12 MET  QB      3.76                
 12 MET  HN     12 MET  QG      4.32                
 12 MET  HN     13 ARG  HN      4.56                
 12 MET  HN     19 CYSS HA      4.31                
 12 MET  HN     19 CYSS HB2     6.00                
 12 MET  HN     19 CYSS HB3     6.00                
 12 MET  HN     19 CYSS QB      5.69                
 12 MET  HN     20 LYS  HN      3.34                
 12 MET  HN     21 PRO  HA      3.91                
 12 MET  HN     22 THR  HN      4.20                
 12 MET  HN     22 THR  QG2     5.70                
 12 MET  HA     13 ARG  HN      2.58                
 12 MET  HA     13 ARG  QG      6.88                
 12 MET  HA     20 LYS  HN      4.70                
 12 MET  HA     22 THR  QG2     7.03                
 12 MET  HB2    13 ARG  HN      3.66                
 12 MET  HB2    22 THR  QG2     5.59                
 12 MET  HB3    13 ARG  HN      3.66                
 12 MET  HB3    22 THR  QG2     5.59                
 12 MET  QB     13 ARG  HN      3.41                
 12 MET  QB     22 THR  HB      6.88                
 12 MET  QB     22 THR  QG2     5.41                
 12 MET  HG2    13 ARG  HN      5.86                
 12 MET  HG2    22 THR  HA      6.00                
 12 MET  HG2    22 THR  QG2     7.03                
 12 MET  HG3    13 ARG  HN      5.86                
 12 MET  HG3    22 THR  HA      6.00                
 12 MET  HG3    22 THR  QG2     7.03                
 12 MET  QG     13 ARG  HN      5.54                
 12 MET  QG     14 THR  QG2     7.22                
 12 MET  QG     19 CYSS HA      6.70                
 12 MET  QG     20 LYS  HN      6.59                
 12 MET  QG     22 THR  HA      5.72                
 12 MET  QG     22 THR  QG2     6.42                
 12 MET  QE     13 ARG  HN      7.03                
 12 MET  QE     14 THR  HB      6.42                
 12 MET  QE     14 THR  QG2     7.88                
 12 MET  QE     22 THR  HN      7.03                
 12 MET  QE     22 THR  HA      6.56                
 12 MET  QE     22 THR  QG2     7.95                
 13 ARG  HN     13 ARG  QB      3.82                
 13 ARG  HN     13 ARG  QG      6.26                
 13 ARG  HN     13 ARG  QD      6.01                
 13 ARG  HN     14 THR  HN      4.24                
 13 ARG  HA     13 ARG  QD      4.61                
 13 ARG  HA     14 THR  HN      2.65                
 13 ARG  HA     14 THR  QG2     6.60                
 13 ARG  HA     19 CYSS HA      3.98                
 13 ARG  HA     19 CYSS QB      6.73                
 13 ARG  HA     20 LYS  HN      3.77                
 13 ARG  QB     13 ARG  HE      4.97                
 13 ARG  QB     14 THR  HN      4.46                
 13 ARG  QB     17 GLY  HA1     5.22                
 13 ARG  QB     17 GLY  HA2     5.72                
 13 ARG  QB     19 CYSS HA      6.88                
 13 ARG  QG     14 THR  HN      6.41                
 13 ARG  QG     17 GLY  HA1     6.88                
 13 ARG  QG     17 GLY  HA2     6.88                
 13 ARG  HD2    17 GLY  HN      6.00                
 13 ARG  HD3    17 GLY  HN      6.00                
 13 ARG  QD     14 THR  HN      5.29                
 13 ARG  QD     17 GLY  HN      5.77                
 13 ARG  QD     17 GLY  HA1     5.00                
 13 ARG  QD     17 GLY  HA2     6.16                
 13 ARG  QD     19 CYSS HA      6.88                
 14 THR  HN     14 THR  HB      3.44                
 14 THR  HN     14 THR  QG2     4.36                
 14 THR  HN     17 GLY  HN      4.56                
 14 THR  HN     17 GLY  HA1     4.74                
 14 THR  HN     18 ARG  HN      3.70                
 14 THR  HN     18 ARG  QG      6.88                
 14 THR  HN     19 CYSS HA      3.84                
 14 THR  HA     15 ALA  HN      2.98                
 14 THR  HA     15 ALA  QB      5.73                
 14 THR  HB     15 ALA  HN      3.01                
 14 THR  HB     15 ALA  QB      5.52                
 14 THR  HB     16 ASP  HN      3.34                
 14 THR  HB     18 ARG  QB      6.59                
 14 THR  QG2    15 ALA  HN      5.66                
 14 THR  QG2    16 ASP  HN      6.56                
 14 THR  QG2    17 GLY  HN      7.03                
 14 THR  QG2    18 ARG  HN      6.34                
 14 THR  QG2    19 CYSS HN      7.03                
 14 THR  QG2    19 CYSS HA      6.88                
 14 THR  QG2    20 LYS  HN      5.84                
 14 THR  QG2    20 LYS  HB2     5.23                
 14 THR  QG2    20 LYS  HB3     5.23                
 14 THR  QG2    20 LYS  QB      5.05                
 14 THR  QG2    20 LYS  QD      5.74                
 14 THR  QG2    20 LYS  HE2     7.03                
 14 THR  QG2    20 LYS  HE3     7.03                
 14 THR  QG2    20 LYS  QE      6.92                
 15 ALA  HN     16 ASP  HN      3.30                
 15 ALA  HA     16 ASP  HN      3.59                
 15 ALA  HA     17 GLY  HN      3.98                
 16 ASP  HN     16 ASP  HB2     3.59                
 16 ASP  HN     16 ASP  HB3     3.59                
 16 ASP  HN     16 ASP  QB      3.35                
 16 ASP  HN     17 GLY  HA1     4.27                
 16 ASP  HN     17 GLY  HA2     4.49                
 16 ASP  HN     18 ARG  QB      5.65                
 16 ASP  HA     18 ARG  HN      4.45                
 16 ASP  HB2    17 GLY  HN      4.60                
 16 ASP  HB3    17 GLY  HN      4.60                
 17 GLY  HN     18 ARG  HN      3.19                
 17 GLY  HN     18 ARG  QB      5.18                
 17 GLY  HN     18 ARG  QG      5.94                
 18 ARG  HN     18 ARG  QB      3.58                
 18 ARG  HN     18 ARG  HG2     4.52                
 18 ARG  HN     18 ARG  HG3     4.52                
 18 ARG  HN     18 ARG  QG      4.21                
 18 ARG  HN     18 ARG  HD2     6.00                
 18 ARG  HN     18 ARG  HD3     6.00                
 18 ARG  HN     19 CYSS HN      4.34                
 18 ARG  HA     18 ARG  QD      6.88                
 18 ARG  HA     19 CYSS HN      2.72                
 18 ARG  HA     19 CYSS QB      5.18                
 18 ARG  QB     18 ARG  HE      6.05                
 18 ARG  QB     19 CYSS HN      3.89                
 18 ARG  HG2    19 CYSS HN      6.00                
 18 ARG  HG3    19 CYSS HN      6.00                
 18 ARG  QG     19 CYSS HN      5.63                
 18 ARG  QD     20 LYS  QE      6.67                
 19 CYSS HN     19 CYSS QB      3.50                
 19 CYSS HN     20 LYS  HN      4.38                
 19 CYSS HA     20 LYS  HN      2.72                
 19 CYSS QB     20 LYS  HN      4.50                
 20 LYS  HN     20 LYS  HB2     3.44                
 20 LYS  HN     20 LYS  HB3     3.44                
 20 LYS  HN     20 LYS  HG2     5.50                
 20 LYS  HN     20 LYS  HG3     5.50                
 20 LYS  HN     20 LYS  QG      5.11                
 20 LYS  HN     21 PRO  HD2     6.00                
 20 LYS  HN     21 PRO  HD3     6.00                
 20 LYS  HA     20 LYS  QD      6.12                
 20 LYS  HA     21 PRO  QG      5.79                
 20 LYS  HA     21 PRO  HD2     3.26                
 20 LYS  HA     21 PRO  HD3     3.16                
 20 LYS  HB2    21 PRO  HD2     4.52                
 20 LYS  HB3    21 PRO  HD2     4.52                
 20 LYS  QB     21 PRO  HD2     4.35                
 20 LYS  QB     21 PRO  HD3     6.16                
 20 LYS  HG2    21 PRO  HD2     5.57                
 20 LYS  HG2    21 PRO  HD3     6.00                
 20 LYS  HG3    21 PRO  HD2     5.57                
 20 LYS  HG3    21 PRO  HD3     6.00                
 20 LYS  QG     21 PRO  HD2     5.20                
 20 LYS  QG     21 PRO  HD3     5.79                
 20 LYS  QD     21 PRO  HD2     6.59                
 20 LYS  QD     21 PRO  HD3     6.88                
 20 LYS  QE     21 PRO  QG      7.21                
 21 PRO  HA     22 THR  HN      2.69                
 21 PRO  HA     22 THR  QG2     6.24                
 21 PRO  HA     23 PHE  HN      4.24                
 21 PRO  HB2    22 THR  HN      3.77                
 21 PRO  HB2    23 PHE  HN      3.91                
 21 PRO  HB3    22 THR  HN      3.70                
 21 PRO  HB3    23 PHE  HN      5.21                
 21 PRO  HB3    23 PHE  QE      8.12                
 21 PRO  QG     23 PHE  HE2     6.88                
 21 PRO  HD3    23 PHE  HZ      6.00                
 22 THR  HN     22 THR  HB      3.80                
 22 THR  HN     22 THR  QG2     4.62                
 22 THR  HN     23 PHE  HN      3.30                
 22 THR  HN     23 PHE  QD      8.12                
 22 THR  HA     23 PHE  HN      3.16                
 22 THR  HA     23 PHE  QD      8.12                
 22 THR  HB     23 PHE  HN      3.80                
 22 THR  QG2    23 PHE  HN      6.67                
 22 THR  QG2    23 PHE  QD      9.15                
 22 THR  QG2    23 PHE  QE      9.15                
 23 PHE  HN     23 PHE  HB2     3.91                
 23 PHE  HN     23 PHE  HB3     3.91                


  7 CYSS CB     19 CYSS CB      3.72  1.00E+01                 
  7 CYSS SG     19 CYSS SG      2.00  1.00E+01                 




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLU   1           H        GLU   1 -10.718 -11.887  19.572
    2    HA   GLU   1           HA       GLU   1  -8.779 -10.680  18.875
    3   1HB   GLU   1          1HB       GLU   1  -9.173 -13.499  18.645
    4   2HB   GLU   1          2HB       GLU   1  -8.173 -13.032  17.284
    5   1HG   GLU   1          1HG       GLU   1  -6.785 -13.585  19.270
    6   2HG   GLU   1          2HG       GLU   1  -6.565 -11.914  18.788
    7    H    ASN   2           H        ASN   2  -7.227 -10.312  16.970
    8    HA   ASN   2           HA       ASN   2  -7.971 -10.621  14.375
    9   1HB   ASN   2          1HB       ASN   2  -8.654  -8.183  13.843
   10   2HB   ASN   2          2HB       ASN   2  -9.880  -9.170  14.611
   11   1HD2  ASN   2          1HD2      ASN   2 -10.921  -8.260  16.198
   12   2HD2  ASN   2          2HD2      ASN   2 -10.341  -7.036  17.278
   13    H    PHE   3           H        PHE   3  -6.120 -10.041  13.155
   14    HA   PHE   3           HA       PHE   3  -4.422  -7.916  14.143
   15   1HB   PHE   3          1HB       PHE   3  -3.817 -10.216  15.216
   16   2HB   PHE   3          2HB       PHE   3  -3.433 -10.775  13.601
   17    HD1  PHE   3           HD1      PHE   3  -2.518  -8.193  16.110
   18    HD2  PHE   3           HD2      PHE   3  -1.311 -10.395  12.688
   19    HE1  PHE   3           HE1      PHE   3  -0.188  -7.293  16.351
   20    HE2  PHE   3           HE2      PHE   3   1.018  -9.493  12.930
   21    HZ   PHE   3           HZ       PHE   3   1.553  -7.954  14.760
   22    H    ASN   4           H        ASN   4  -4.927  -6.803  12.192
   23    HA   ASN   4           HA       ASN   4  -4.102  -8.202   9.781
   24   1HB   ASN   4          1HB       ASN   4  -5.280  -6.103   8.699
   25   2HB   ASN   4          2HB       ASN   4  -6.285  -7.356   9.400
   26   1HD2  ASN   4          1HD2      ASN   4  -5.624  -4.105   9.296
   27   2HD2  ASN   4          2HD2      ASN   4  -6.437  -3.562  10.726
   28    H    GLY   5           H        GLY   5  -1.871  -7.563  11.077
   29   1HA   GLY   5          1HA       GLY   5   0.023  -6.422  10.143
   30   2HA   GLY   5          2HA       GLY   5  -0.975  -5.002   9.906
   31    H    GLY   6           H        GLY   6  -2.386  -5.001  12.433
   32   1HA   GLY   6          1HA       GLY   6  -1.631  -5.166  14.792
   33   2HA   GLY   6          2HA       GLY   6  -0.140  -4.409  14.269
   34    H    CYS   7           H        CYS   7  -3.647  -3.774  13.528
   35    HA   CYS   7           HA       CYS   7  -3.164  -1.032  14.446
   36   1HB   CYS   7          1HB       CYS   7  -4.656  -2.047  12.045
   37   2HB   CYS   7          2HB       CYS   7  -5.102  -0.522  12.785
   38    H    LEU   8           H        LEU   8  -5.645  -0.030  14.725
   39    HA   LEU   8           HA       LEU   8  -6.750  -1.664  16.816
   40   1HB   LEU   8          1HB       LEU   8  -6.490   0.658  17.240
   41   2HB   LEU   8          2HB       LEU   8  -7.332   1.101  15.768
   42    HG   LEU   8           HG       LEU   8  -9.443   0.480  16.647
   43   1HD1  LEU   8          1HD1      LEU   8  -7.884  -0.943  18.803
   44   2HD1  LEU   8          2HD1      LEU   8  -9.604  -0.525  18.993
   45   3HD1  LEU   8          3HD1      LEU   8  -9.090  -1.601  17.671
   46   1HD2  LEU   8          1HD2      LEU   8  -8.317   2.606  17.511
   47   2HD2  LEU   8          2HD2      LEU   8  -9.726   1.998  18.412
   48   3HD2  LEU   8          3HD2      LEU   8  -8.082   1.720  19.036
   49    H    ALA   9           H        ALA   9  -7.964  -0.184  13.727
   50    HA   ALA   9           HA       ALA   9  -9.146  -2.305  12.631
   51   1HB   ALA   9          1HB       ALA   9 -10.717  -1.371  15.005
   52   2HB   ALA   9          2HB       ALA   9 -11.624  -1.821  13.541
   53   3HB   ALA   9          3HB       ALA   9 -10.546  -3.004  14.319
   54    H    GLY  10           H        GLY  10  -8.784  -1.139  10.751
   55   1HA   GLY  10          1HA       GLY  10 -10.177   0.097   9.170
   56   2HA   GLY  10          2HA       GLY  10 -10.445   1.289  10.425
   57    H    TYR  11           H        TYR  11  -7.668   1.198  11.494
   58    HA   TYR  11           HA       TYR  11  -6.547   3.164   9.828
   59   1HB   TYR  11          1HB       TYR  11  -5.441   1.312  12.032
   60   2HB   TYR  11          2HB       TYR  11  -4.594   2.735  11.459
   61    HD1  TYR  11           HD1      TYR  11  -5.845   5.017  11.681
   62    HD2  TYR  11           HD2      TYR  11  -6.939   1.481  13.827
   63    HE1  TYR  11           HE1      TYR  11  -7.072   6.431  13.402
   64    HE2  TYR  11           HE2      TYR  11  -8.163   2.907  15.540
   65    HH   TYR  11           HH       TYR  11  -9.268   5.182  15.525
   66    H    MET  12           H        MET  12  -4.422   3.099   8.744
   67    HA   MET  12           HA       MET  12  -3.932   0.431   7.665
   68   1HB   MET  12          1HB       MET  12  -2.985   1.856   5.669
   69   2HB   MET  12          2HB       MET  12  -4.726   1.769   5.845
   70   1HG   MET  12          1HG       MET  12  -4.916   3.982   6.539
   71   2HG   MET  12          2HG       MET  12  -3.359   3.982   7.343
   72   1HE   MET  12          1HE       MET  12  -4.117   6.431   5.829
   73   2HE   MET  12          2HE       MET  12  -2.440   6.229   6.391
   74   3HE   MET  12          3HE       MET  12  -2.762   6.756   4.722
   75    H    ARG  13           H        ARG  13  -1.616   0.083   6.881
   76    HA   ARG  13           HA       ARG  13   0.126   1.266   8.862
   77   1HB   ARG  13          1HB       ARG  13   0.394  -1.194   7.069
   78   2HB   ARG  13          2HB       ARG  13   1.708  -0.618   8.076
   79   1HG   ARG  13          1HG       ARG  13  -0.957  -0.983   9.418
   80   2HG   ARG  13          2HG       ARG  13  -0.115  -2.442   8.934
   81   1HD   ARG  13          1HD       ARG  13   1.776  -0.612  10.187
   82   2HD   ARG  13          2HD       ARG  13   0.389  -0.822  11.238
   83    HE   ARG  13           HE       ARG  13   0.930  -3.410  10.482
   84   1HH1  ARG  13          1HH1      ARG  13   2.950  -0.837  11.779
   85   2HH1  ARG  13          2HH1      ARG  13   4.044  -1.921  12.571
   86   1HH2  ARG  13          1HH2      ARG  13   2.374  -4.841  11.527
   87   2HH2  ARG  13          2HH2      ARG  13   3.714  -4.214  12.427
   88    H    THR  14           H        THR  14   1.032   3.173   8.088
   89    HA   THR  14           HA       THR  14   1.451   3.673   5.344
   90    HB   THR  14           HB       THR  14   2.816   5.623   6.404
   91    HG1  THR  14           HG1      THR  14   3.155   4.164   8.363
   92   1HG2  THR  14          1HG2      THR  14   0.001   5.120   7.507
   93   2HG2  THR  14          2HG2      THR  14   0.823   6.697   7.418
   94   3HG2  THR  14          3HG2      THR  14   0.350   5.854   5.923
   95    H    ALA  15           H        ALA  15   4.007   4.754   5.132
   96    HA   ALA  15           HA       ALA  15   5.495   2.297   4.810
   97   1HB   ALA  15          1HB       ALA  15   5.478   5.038   3.700
   98   2HB   ALA  15          2HB       ALA  15   7.104   4.350   3.929
   99   3HB   ALA  15          3HB       ALA  15   5.908   3.493   2.927
  100    H    ASP  16           H        ASP  16   4.875   4.044   7.454
  101    HA   ASP  16           HA       ASP  16   7.660   4.050   8.312
  102   1HB   ASP  16          1HB       ASP  16   6.250   6.224   8.386
  103   2HB   ASP  16          2HB       ASP  16   5.324   5.465   9.666
  104    H    GLY  17           H        GLY  17   4.482   2.644   8.600
  105   1HA   GLY  17          1HA       GLY  17   4.080   0.633   9.704
  106   2HA   GLY  17          2HA       GLY  17   5.396   0.957  10.815
  107    H    ARG  18           H        ARG  18   3.711   3.863  10.417
  108    HA   ARG  18           HA       ARG  18   2.534   3.522  12.991
  109   1HB   ARG  18          1HB       ARG  18   2.485   5.936  11.109
  110   2HB   ARG  18          2HB       ARG  18   2.031   5.959  12.801
  111   1HG   ARG  18          1HG       ARG  18   4.429   5.052  13.278
  112   2HG   ARG  18          2HG       ARG  18   4.797   5.488  11.621
  113   1HD   ARG  18          1HD       ARG  18   4.509   7.805  12.018
  114   2HD   ARG  18          2HD       ARG  18   3.482   7.545  13.414
  115    HE   ARG  18           HE       ARG  18   6.430   7.486  13.365
  116   1HH1  ARG  18          1HH1      ARG  18   3.511   6.705  15.168
  117   2HH1  ARG  18          2HH1      ARG  18   4.320   6.642  16.699
  118   1HH2  ARG  18          1HH2      ARG  18   7.498   7.403  15.384
  119   2HH2  ARG  18          2HH2      ARG  18   6.603   7.041  16.822
  120    H    CYS  19           H        CYS  19   0.494   2.650  13.194
  121    HA   CYS  19           HA       CYS  19  -1.207   2.241  11.058
  122   1HB   CYS  19          1HB       CYS  19  -1.658   2.270  14.038
  123   2HB   CYS  19          2HB       CYS  19  -2.955   1.925  12.910
  124    H    LYS  20           H        LYS  20  -1.795   4.034   9.812
  125    HA   LYS  20           HA       LYS  20  -2.770   6.385  11.247
  126   1HB   LYS  20          1HB       LYS  20  -1.273   5.942   8.804
  127   2HB   LYS  20          2HB       LYS  20  -2.715   6.882   8.475
  128   1HG   LYS  20          1HG       LYS  20  -2.078   8.634   9.919
  129   2HG   LYS  20          2HG       LYS  20  -1.047   7.603  10.891
  130   1HD   LYS  20          1HD       LYS  20   0.680   7.557   9.214
  131   2HD   LYS  20          2HD       LYS  20  -0.390   8.186   7.977
  132   1HE   LYS  20          1HE       LYS  20   1.043  10.011   8.688
  133   2HE   LYS  20          2HE       LYS  20  -0.566  10.346   9.294
  134   1HZ   LYS  20          1HZ       LYS  20   0.213   9.206  11.380
  135   2HZ   LYS  20          2HZ       LYS  20   1.731   9.326  10.791
  136   3HZ   LYS  20          3HZ       LYS  20   0.856  10.676  11.074
  137    HA   PRO  21           HA       PRO  21  -6.855   5.737   9.998
  138   1HB   PRO  21          1HB       PRO  21  -7.764   8.156   9.108
  139   2HB   PRO  21          2HB       PRO  21  -7.586   7.766  10.807
  140   1HG   PRO  21          1HG       PRO  21  -5.880   9.485   9.112
  141   2HG   PRO  21          2HG       PRO  21  -5.978   9.418  10.860
  142   1HD   PRO  21          1HD       PRO  21  -3.915   8.297   9.213
  143   2HD   PRO  21          2HD       PRO  21  -4.074   8.131  10.950
  144    H    THR  22           H        THR  22  -8.216   4.927   8.439
  145    HA   THR  22           HA       THR  22  -7.081   5.238   5.741
  146    HB   THR  22           HB       THR  22  -8.893   3.008   6.777
  147    HG1  THR  22           HG1      THR  22  -7.075   2.469   7.916
  148   1HG2  THR  22          1HG2      THR  22  -6.821   3.227   4.531
  149   2HG2  THR  22          2HG2      THR  22  -7.614   1.711   5.022
  150   3HG2  THR  22          3HG2      THR  22  -8.578   3.034   4.323
  151    H    PHE  23           H        PHE  23  -9.265   6.759   7.548
  152    HA   PHE  23           HA       PHE  23 -11.730   6.577   6.601
  153   1HB   PHE  23          1HB       PHE  23 -10.089   9.177   6.638
  154   2HB   PHE  23          2HB       PHE  23 -11.810   9.048   6.935
  155    HD1  PHE  23           HD1      PHE  23 -11.744   6.623   8.754
  156    HD2  PHE  23           HD2      PHE  23  -9.384  10.150   8.662
  157    HE1  PHE  23           HE1      PHE  23 -11.301   6.392  11.214
  158    HE2  PHE  23           HE2      PHE  23  -8.942   9.918  11.122
  159    HZ   PHE  23           HZ       PHE  23  -9.906   8.042  12.368
  Start of MODEL    2
    1    H    GLU   1           H        GLU   1  -9.279  -9.877  19.405
    2    HA   GLU   1           HA       GLU   1 -10.766  -8.402  18.257
    3   1HB   GLU   1          1HB       GLU   1  -8.011  -7.478  19.044
    4   2HB   GLU   1          2HB       GLU   1  -9.073  -6.314  18.276
    5   1HG   GLU   1          1HG       GLU   1  -9.898  -5.970  20.378
    6   2HG   GLU   1          2HG       GLU   1 -10.799  -7.448  20.107
    7    H    ASN   2           H        ASN   2  -7.456  -8.400  16.741
    8    HA   ASN   2           HA       ASN   2  -8.504  -8.731  14.185
    9   1HB   ASN   2          1HB       ASN   2  -7.944  -6.493  13.222
   10   2HB   ASN   2          2HB       ASN   2  -9.212  -6.361  14.425
   11   1HD2  ASN   2          2HD2      ASN   2  -7.704  -4.204  13.664
   12   2HD2  ASN   2          1HD2      ASN   2  -6.693  -3.670  14.965
   13    H    PHE   3           H        PHE   3  -6.622  -8.435  12.505
   14    HA   PHE   3           HA       PHE   3  -4.000  -8.234  13.705
   15   1HB   PHE   3          1HB       PHE   3  -5.119 -10.692  13.705
   16   2HB   PHE   3          2HB       PHE   3  -4.721 -10.660  11.998
   17    HD1  PHE   3           HD1      PHE   3  -3.146 -10.150  15.340
   18    HD2  PHE   3           HD2      PHE   3  -2.625 -11.373  11.309
   19    HE1  PHE   3           HE1      PHE   3  -0.811 -10.901  15.869
   20    HE2  PHE   3           HE2      PHE   3  -0.290 -12.124  11.839
   21    HZ   PHE   3           HZ       PHE   3   0.590 -11.879  14.113
   22    H    ASN   4           H        ASN   4  -3.373  -6.543  12.378
   23    HA   ASN   4           HA       ASN   4  -3.028  -7.257   9.622
   24   1HB   ASN   4          1HB       ASN   4  -5.246  -6.141   9.588
   25   2HB   ASN   4          2HB       ASN   4  -4.609  -4.781  10.491
   26   1HD2  ASN   4          2HD2      ASN   4  -4.211  -3.073   9.333
   27   2HD2  ASN   4          1HD2      ASN   4  -3.679  -3.012   7.686
   28    H    GLY   5           H        GLY   5  -1.091  -7.038  11.630
   29   1HA   GLY   5          1HA       GLY   5   1.043  -6.030  11.361
   30   2HA   GLY   5          2HA       GLY   5   0.272  -4.524  10.908
   31    H    GLY   6           H        GLY   6  -1.807  -4.513  12.970
   32   1HA   GLY   6          1HA       GLY   6  -1.600  -4.834  15.469
   33   2HA   GLY   6          2HA       GLY   6  -0.097  -3.945  15.313
   34    H    CYS   7           H        CYS   7  -3.378  -3.534  13.792
   35    HA   CYS   7           HA       CYS   7  -3.254  -0.749  14.678
   36   1HB   CYS   7          1HB       CYS   7  -4.670  -2.057  12.356
   37   2HB   CYS   7          2HB       CYS   7  -5.052  -0.436  12.902
   38    H    LEU   8           H        LEU   8  -5.830   0.044  14.752
   39    HA   LEU   8           HA       LEU   8  -6.913  -1.564  16.893
   40   1HB   LEU   8          1HB       LEU   8  -6.774   0.783  17.257
   41   2HB   LEU   8          2HB       LEU   8  -7.588   1.140  15.746
   42    HG   LEU   8           HG       LEU   8  -9.691   0.329  16.589
   43   1HD1  LEU   8          1HD1      LEU   8  -8.017  -1.078  18.496
   44   2HD1  LEU   8          2HD1      LEU   8  -9.333  -0.196  19.307
   45   3HD1  LEU   8          3HD1      LEU   8  -9.707  -1.370  18.022
   46   1HD2  LEU   8          1HD2      LEU   8  -8.308   2.114  18.608
   47   2HD2  LEU   8          2HD2      LEU   8  -9.161   2.625  17.132
   48   3HD2  LEU   8          3HD2      LEU   8 -10.066   1.883  18.472
   49    H    ALA   9           H        ALA   9  -8.069  -0.215  13.723
   50    HA   ALA   9           HA       ALA   9  -9.097  -2.415  12.630
   51   1HB   ALA   9          1HB       ALA   9 -10.673  -1.669  15.006
   52   2HB   ALA   9          2HB       ALA   9 -11.651  -1.834  13.528
   53   3HB   ALA   9          3HB       ALA   9 -10.645  -3.192  14.086
   54    H    GLY  10           H        GLY  10  -8.714  -1.273  10.739
   55   1HA   GLY  10          1HA       GLY  10 -10.130  -0.139   9.086
   56   2HA   GLY  10          2HA       GLY  10 -10.454   1.081  10.301
   57    H    TYR  11           H        TYR  11  -7.728   1.152  11.438
   58    HA   TYR  11           HA       TYR  11  -6.621   3.092   9.758
   59   1HB   TYR  11          1HB       TYR  11  -5.539   1.285  12.007
   60   2HB   TYR  11          2HB       TYR  11  -4.646   2.664  11.398
   61    HD1  TYR  11           HD1      TYR  11  -5.730   4.991  11.601
   62    HD2  TYR  11           HD2      TYR  11  -7.158   1.549  13.706
   63    HE1  TYR  11           HE1      TYR  11  -6.937   6.495  13.259
   64    HE2  TYR  11           HE2      TYR  11  -8.359   3.065  15.356
   65    HH   TYR  11           HH       TYR  11  -7.829   6.497  15.365
   66    H    MET  12           H        MET  12  -4.520   3.082   8.655
   67    HA   MET  12           HA       MET  12  -3.956   0.422   7.591
   68   1HB   MET  12          1HB       MET  12  -3.061   1.792   5.582
   69   2HB   MET  12          2HB       MET  12  -4.797   1.839   5.814
   70   1HG   MET  12          1HG       MET  12  -4.797   4.077   6.318
   71   2HG   MET  12          2HG       MET  12  -3.380   3.947   7.340
   72   1HE   MET  12          1HE       MET  12  -3.746   6.359   5.877
   73   2HE   MET  12          2HE       MET  12  -2.860   6.611   4.353
   74   3HE   MET  12          3HE       MET  12  -4.470   5.853   4.331
   75    H    ARG  13           H        ARG  13  -1.607   0.197   6.745
   76    HA   ARG  13           HA       ARG  13   0.091   1.371   8.779
   77   1HB   ARG  13          1HB       ARG  13   0.429  -1.085   6.991
   78   2HB   ARG  13          2HB       ARG  13   1.706  -0.490   8.033
   79   1HG   ARG  13          1HG       ARG  13  -1.021  -0.972   9.243
   80   2HG   ARG  13          2HG       ARG  13  -0.017  -2.362   8.878
   81   1HD   ARG  13          1HD       ARG  13   1.677  -0.425  10.161
   82   2HD   ARG  13          2HD       ARG  13   0.202  -0.514  11.102
   83    HE   ARG  13           HE       ARG  13   0.703  -2.746  11.679
   84   1HH1  ARG  13          1HH1      ARG  13   2.877  -1.634   9.146
   85   2HH1  ARG  13          2HH1      ARG  13   3.935  -2.998   9.279
   86   1HH2  ARG  13          1HH2      ARG  13   2.099  -4.546  11.855
   87   2HH2  ARG  13          2HH2      ARG  13   3.490  -4.666  10.830
   88    H    THR  14           H        THR  14   1.024   3.264   8.026
   89    HA   THR  14           HA       THR  14   1.414   3.822   5.299
   90    HB   THR  14           HB       THR  14   2.574   5.813   6.209
   91    HG1  THR  14           HG1      THR  14   3.008   5.697   8.573
   92   1HG2  THR  14          1HG2      THR  14  -0.031   5.314   6.744
   93   2HG2  THR  14          2HG2      THR  14   0.590   5.245   8.411
   94   3HG2  THR  14          3HG2      THR  14   0.803   6.723   7.441
   95    H    ALA  15           H        ALA  15   4.113   4.913   5.379
   96    HA   ALA  15           HA       ALA  15   5.494   2.401   4.844
   97   1HB   ALA  15          1HB       ALA  15   5.720   5.258   3.932
   98   2HB   ALA  15          2HB       ALA  15   7.164   4.219   3.863
   99   3HB   ALA  15          3HB       ALA  15   5.692   3.758   2.974
  100    H    ASP  16           H        ASP  16   4.928   4.058   7.539
  101    HA   ASP  16           HA       ASP  16   7.723   4.013   8.367
  102   1HB   ASP  16          1HB       ASP  16   5.902   6.085   8.573
  103   2HB   ASP  16          2HB       ASP  16   5.698   5.312  10.131
  104    H    GLY  17           H        GLY  17   4.556   2.603   8.616
  105   1HA   GLY  17          1HA       GLY  17   4.148   0.568   9.670
  106   2HA   GLY  17          2HA       GLY  17   5.459   0.866  10.794
  107    H    ARG  18           H        ARG  18   3.766   3.776  10.459
  108    HA   ARG  18           HA       ARG  18   2.557   3.348  13.012
  109   1HB   ARG  18          1HB       ARG  18   2.608   5.838  11.232
  110   2HB   ARG  18          2HB       ARG  18   2.079   5.804  12.903
  111   1HG   ARG  18          1HG       ARG  18   4.349   5.068  13.623
  112   2HG   ARG  18          2HG       ARG  18   4.885   5.049  11.955
  113   1HD   ARG  18          1HD       ARG  18   5.099   7.339  11.857
  114   2HD   ARG  18          2HD       ARG  18   3.634   7.620  12.777
  115    HE   ARG  18           HE       ARG  18   4.959   7.853  14.676
  116   1HH1  ARG  18          1HH1      ARG  18   6.677   5.824  12.370
  117   2HH1  ARG  18          2HH1      ARG  18   8.091   5.677  13.359
  118   1HH2  ARG  18          1HH2      ARG  18   6.826   7.660  15.981
  119   2HH2  ARG  18          2HH2      ARG  18   8.177   6.728  15.426
  120    H    CYS  19           H        CYS  19   0.495   2.516  13.146
  121    HA   CYS  19           HA       CYS  19  -1.168   2.154  11.000
  122   1HB   CYS  19          1HB       CYS  19  -1.780   2.343  13.951
  123   2HB   CYS  19          2HB       CYS  19  -2.979   1.898  12.754
  124    H    LYS  20           H        LYS  20  -1.773   3.864   9.675
  125    HA   LYS  20           HA       LYS  20  -2.576   6.351  10.972
  126   1HB   LYS  20          1HB       LYS  20  -1.436   5.600   8.341
  127   2HB   LYS  20          2HB       LYS  20  -2.642   6.871   8.302
  128   1HG   LYS  20          1HG       LYS  20  -1.010   7.490  10.539
  129   2HG   LYS  20          2HG       LYS  20   0.112   6.966   9.299
  130   1HD   LYS  20          1HD       LYS  20  -1.746   8.623   7.939
  131   2HD   LYS  20          2HD       LYS  20  -1.442   9.445   9.457
  132   1HE   LYS  20          1HE       LYS  20   1.106   8.929   8.924
  133   2HE   LYS  20          2HE       LYS  20   0.537   8.703   7.282
  134   1HZ   LYS  20          1HZ       LYS  20  -0.393  11.073   8.635
  135   2HZ   LYS  20          2HZ       LYS  20   1.194  11.042   8.247
  136   3HZ   LYS  20          3HZ       LYS  20   0.064  10.872   7.080
  137    HA   PRO  21           HA       PRO  21  -6.752   5.763  10.048
  138   1HB   PRO  21          1HB       PRO  21  -7.646   8.232   9.290
  139   2HB   PRO  21          2HB       PRO  21  -7.368   7.785  10.961
  140   1HG   PRO  21          1HG       PRO  21  -5.727   9.507   9.205
  141   2HG   PRO  21          2HG       PRO  21  -5.711   9.389  10.954
  142   1HD   PRO  21          1HD       PRO  21  -3.795   8.263   9.140
  143   2HD   PRO  21          2HD       PRO  21  -3.844   8.049  10.878
  144    H    THR  22           H        THR  22  -8.253   5.059   8.560
  145    HA   THR  22           HA       THR  22  -7.319   5.472   5.796
  146    HB   THR  22           HB       THR  22  -8.969   3.138   6.871
  147    HG1  THR  22           HG1      THR  22  -7.043   2.507   7.755
  148   1HG2  THR  22          1HG2      THR  22  -7.247   3.679   4.411
  149   2HG2  THR  22          2HG2      THR  22  -7.580   2.018   4.961
  150   3HG2  THR  22          3HG2      THR  22  -8.922   3.080   4.469
  151    H    PHE  23           H        PHE  23  -9.391   6.827   7.856
  152    HA   PHE  23           HA       PHE  23 -11.696   6.690   6.075
  153   1HB   PHE  23          1HB       PHE  23 -12.722   7.979   8.044
  154   2HB   PHE  23          2HB       PHE  23 -12.100   6.404   8.493
  155    HD1  PHE  23           HD1      PHE  23 -10.940   9.949   8.280
  156    HD2  PHE  23           HD2      PHE  23 -10.778   6.263  10.375
  157    HE1  PHE  23           HE1      PHE  23  -9.511  11.016  10.046
  158    HE2  PHE  23           HE2      PHE  23  -9.349   7.330  12.142
  159    HZ   PHE  23           HZ       PHE  23  -8.732   9.693  11.957
  Start of MODEL    3
    1    H    GLU   1           H        GLU   1  -4.324 -12.529  19.088
    2    HA   GLU   1           HA       GLU   1  -3.193 -10.457  19.452
    3   1HB   GLU   1          1HB       GLU   1  -1.811 -12.940  18.619
    4   2HB   GLU   1          2HB       GLU   1  -0.794 -11.516  18.528
    5   1HG   GLU   1          1HG       GLU   1  -1.619 -10.951  20.919
    6   2HG   GLU   1          2HG       GLU   1  -2.292 -12.569  20.965
    7    H    ASN   2           H        ASN   2  -2.446 -11.856  16.177
    8    HA   ASN   2           HA       ASN   2  -1.538  -9.270  15.333
    9   1HB   ASN   2          1HB       ASN   2  -0.994 -10.448  13.198
   10   2HB   ASN   2          2HB       ASN   2  -0.338 -11.312  14.573
   11   1HD2  ASN   2          2HD2      ASN   2  -1.294 -12.058  11.796
   12   2HD2  ASN   2          1HD2      ASN   2  -2.346 -13.415  12.020
   13    H    PHE   3           H        PHE   3  -2.515  -8.195  13.381
   14    HA   PHE   3           HA       PHE   3  -5.143  -9.158  12.615
   15   1HB   PHE   3          1HB       PHE   3  -5.603  -7.660  14.517
   16   2HB   PHE   3          2HB       PHE   3  -4.421  -6.494  13.956
   17    HD1  PHE   3           HD1      PHE   3  -7.767  -7.896  13.317
   18    HD2  PHE   3           HD2      PHE   3  -4.991  -4.842  12.330
   19    HE1  PHE   3           HE1      PHE   3  -9.576  -6.641  12.111
   20    HE2  PHE   3           HE2      PHE   3  -6.799  -3.587  11.125
   21    HZ   PHE   3           HZ       PHE   3  -9.071  -4.502  11.030
   22    H    ASN   4           H        ASN   4  -2.616  -6.578  12.318
   23    HA   ASN   4           HA       ASN   4  -2.329  -7.007   9.603
   24   1HB   ASN   4          1HB       ASN   4  -4.549  -5.921   9.381
   25   2HB   ASN   4          2HB       ASN   4  -4.020  -4.566  10.357
   26   1HD2  ASN   4          2HD2      ASN   4  -3.564  -2.834   9.256
   27   2HD2  ASN   4          1HD2      ASN   4  -2.881  -2.739   7.668
   28    H    GLY   5           H        GLY   5  -0.571  -6.790  11.763
   29   1HA   GLY   5          1HA       GLY   5   1.562  -5.746  11.691
   30   2HA   GLY   5          2HA       GLY   5   0.806  -4.244  11.197
   31    H    GLY   6           H        GLY   6  -1.437  -4.297  13.077
   32   1HA   GLY   6          1HA       GLY   6  -1.422  -4.662  15.583
   33   2HA   GLY   6          2HA       GLY   6   0.061  -3.727  15.558
   34    H    CYS   7           H        CYS   7  -3.150  -3.423  13.866
   35    HA   CYS   7           HA       CYS   7  -3.145  -0.624  14.713
   36   1HB   CYS   7          1HB       CYS   7  -4.400  -2.025  12.358
   37   2HB   CYS   7          2HB       CYS   7  -4.930  -0.437  12.877
   38    H    LEU   8           H        LEU   8  -5.693   0.131  14.785
   39    HA   LEU   8           HA       LEU   8  -6.796  -1.461  16.907
   40   1HB   LEU   8          1HB       LEU   8  -6.785   0.898  17.178
   41   2HB   LEU   8          2HB       LEU   8  -7.548   1.159  15.622
   42    HG   LEU   8           HG       LEU   8  -9.624   0.107  16.472
   43   1HD1  LEU   8          1HD1      LEU   8  -8.023  -0.999  18.416
   44   2HD1  LEU   8          2HD1      LEU   8  -8.890   0.278  19.303
   45   3HD1  LEU   8          3HD1      LEU   8  -9.803  -0.970  18.420
   46   1HD2  LEU   8          1HD2      LEU   8  -8.548   2.650  17.126
   47   2HD2  LEU   8          2HD2      LEU   8 -10.254   2.177  16.947
   48   3HD2  LEU   8          3HD2      LEU   8  -9.465   2.077  18.539
   49    H    ALA   9           H        ALA   9  -7.946  -0.290  13.662
   50    HA   ALA   9           HA       ALA   9  -8.828  -2.577  12.622
   51   1HB   ALA   9          1HB       ALA   9 -10.498  -1.845  14.943
   52   2HB   ALA   9          2HB       ALA   9 -11.426  -2.136  13.453
   53   3HB   ALA   9          3HB       ALA   9 -10.346  -3.398  14.088
   54    H    GLY  10           H        GLY  10  -8.359  -1.348  10.767
   55   1HA   GLY  10          1HA       GLY  10  -9.849  -0.382   9.032
   56   2HA   GLY  10          2HA       GLY  10 -10.266   0.846  10.210
   57    H    TYR  11           H        TYR  11  -7.644   1.201  11.416
   58    HA   TYR  11           HA       TYR  11  -6.595   3.162   9.801
   59   1HB   TYR  11          1HB       TYR  11  -5.424   1.280  11.939
   60   2HB   TYR  11          2HB       TYR  11  -4.534   2.671  11.350
   61    HD1  TYR  11           HD1      TYR  11  -5.269   4.962  11.897
   62    HD2  TYR  11           HD2      TYR  11  -7.322   1.540  13.437
   63    HE1  TYR  11           HE1      TYR  11  -6.424   6.425  13.627
   64    HE2  TYR  11           HE2      TYR  11  -8.469   3.013  15.162
   65    HH   TYR  11           HH       TYR  11  -9.082   5.355  15.404
   66    H    MET  12           H        MET  12  -4.502   3.303   8.669
   67    HA   MET  12           HA       MET  12  -3.945   0.770   7.337
   68   1HB   MET  12          1HB       MET  12  -2.886   2.458   5.602
   69   2HB   MET  12          2HB       MET  12  -4.633   2.340   5.678
   70   1HG   MET  12          1HG       MET  12  -4.789   4.350   7.057
   71   2HG   MET  12          2HG       MET  12  -3.052   4.401   7.282
   72   1HE   MET  12          1HE       MET  12  -2.009   6.122   6.450
   73   2HE   MET  12          2HE       MET  12  -2.202   6.965   4.894
   74   3HE   MET  12          3HE       MET  12  -3.404   7.196   6.186
   75    H    ARG  13           H        ARG  13  -1.635   0.398   6.651
   76    HA   ARG  13           HA       ARG  13   0.071   1.297   8.800
   77   1HB   ARG  13          1HB       ARG  13  -0.295  -1.194   7.569
   78   2HB   ARG  13          2HB       ARG  13   1.205  -0.635   6.855
   79   1HG   ARG  13          1HG       ARG  13   1.573   0.019   9.534
   80   2HG   ARG  13          2HG       ARG  13   0.637  -1.458   9.652
   81   1HD   ARG  13          1HD       ARG  13   2.295  -2.527   8.009
   82   2HD   ARG  13          2HD       ARG  13   3.277  -1.084   8.163
   83    HE   ARG  13           HE       ARG  13   2.577  -2.196  10.762
   84   1HH1  ARG  13          1HH1      ARG  13   4.801  -2.506   8.053
   85   2HH1  ARG  13          2HH1      ARG  13   6.050  -3.246   8.997
   86   1HH2  ARG  13          1HH2      ARG  13   4.225  -3.172  12.009
   87   2HH2  ARG  13          2HH2      ARG  13   5.720  -3.628  11.263
   88    H    THR  14           H        THR  14   1.119   3.218   8.320
   89    HA   THR  14           HA       THR  14   1.585   4.136   5.716
   90    HB   THR  14           HB       THR  14   3.183   5.705   7.073
   91    HG1  THR  14           HG1      THR  14   3.572   4.764   9.039
   92   1HG2  THR  14          1HG2      THR  14   0.446   5.793   6.794
   93   2HG2  THR  14          2HG2      THR  14   0.587   5.635   8.561
   94   3HG2  THR  14          3HG2      THR  14   1.373   6.995   7.725
   95    H    ALA  15           H        ALA  15   4.230   4.988   5.594
   96    HA   ALA  15           HA       ALA  15   5.442   2.539   4.705
   97   1HB   ALA  15          1HB       ALA  15   6.168   5.483   4.585
   98   2HB   ALA  15          2HB       ALA  15   7.260   4.208   3.995
   99   3HB   ALA  15          3HB       ALA  15   5.654   4.417   3.256
  100    H    ASP  16           H        ASP  16   5.106   3.938   7.701
  101    HA   ASP  16           HA       ASP  16   7.760   3.015   8.483
  102   1HB   ASP  16          1HB       ASP  16   6.734   5.550   8.837
  103   2HB   ASP  16          2HB       ASP  16   6.232   4.794  10.335
  104    H    GLY  17           H        GLY  17   4.455   2.354   8.438
  105   1HA   GLY  17          1HA       GLY  17   3.544   0.440   9.425
  106   2HA   GLY  17          2HA       GLY  17   4.675   0.570  10.757
  107    H    ARG  18           H        ARG  18   3.999   3.689  10.607
  108    HA   ARG  18           HA       ARG  18   2.450   3.788  12.800
  109   1HB   ARG  18          1HB       ARG  18   2.353   5.855  10.549
  110   2HB   ARG  18          2HB       ARG  18   2.065   6.155  12.251
  111   1HG   ARG  18          1HG       ARG  18   4.608   4.909  12.169
  112   2HG   ARG  18          2HG       ARG  18   4.611   6.004  10.801
  113   1HD   ARG  18          1HD       ARG  18   3.779   7.842  12.379
  114   2HD   ARG  18          2HD       ARG  18   4.021   6.728  13.710
  115    HE   ARG  18           HE       ARG  18   6.115   8.082  12.155
  116   1HH1  ARG  18          1HH1      ARG  18   5.378   5.419  14.333
  117   2HH1  ARG  18          2HH1      ARG  18   7.012   5.244  14.878
  118   1HH2  ARG  18          1HH2      ARG  18   8.272   7.852  12.874
  119   2HH2  ARG  18          2HH2      ARG  18   8.670   6.637  14.043
  120    H    CYS  19           H        CYS  19   0.418   2.925  13.117
  121    HA   CYS  19           HA       CYS  19  -1.302   2.289  11.029
  122   1HB   CYS  19          1HB       CYS  19  -1.790   2.608  13.993
  123   2HB   CYS  19          2HB       CYS  19  -3.007   2.028  12.873
  124    H    LYS  20           H        LYS  20  -1.625   4.145   9.677
  125    HA   LYS  20           HA       LYS  20  -2.614   6.566  10.899
  126   1HB   LYS  20          1HB       LYS  20  -1.434   5.765   8.337
  127   2HB   LYS  20          2HB       LYS  20  -2.789   6.859   8.147
  128   1HG   LYS  20          1HG       LYS  20  -1.516   8.096  10.223
  129   2HG   LYS  20          2HG       LYS  20  -0.135   7.330   9.463
  130   1HD   LYS  20          1HD       LYS  20  -0.860   8.344   7.249
  131   2HD   LYS  20          2HD       LYS  20  -2.132   9.197   8.100
  132   1HE   LYS  20          1HE       LYS  20  -0.630  10.612   9.230
  133   2HE   LYS  20          2HE       LYS  20   0.693   9.466   9.134
  134   1HZ   LYS  20          1HZ       LYS  20   0.108  10.017   6.553
  135   2HZ   LYS  20          2HZ       LYS  20  -0.064  11.467   7.285
  136   3HZ   LYS  20          3HZ       LYS  20   1.346  10.652   7.408
  137    HA   PRO  21           HA       PRO  21  -6.804   5.873  10.123
  138   1HB   PRO  21          1HB       PRO  21  -7.764   8.270   9.231
  139   2HB   PRO  21          2HB       PRO  21  -7.429   7.941  10.919
  140   1HG   PRO  21          1HG       PRO  21  -5.873   9.568   9.004
  141   2HG   PRO  21          2HG       PRO  21  -5.803   9.568  10.755
  142   1HD   PRO  21          1HD       PRO  21  -3.921   8.353   8.962
  143   2HD   PRO  21          2HD       PRO  21  -3.915   8.255  10.712
  144    H    THR  22           H        THR  22  -8.347   5.062   8.729
  145    HA   THR  22           HA       THR  22  -7.479   5.270   5.922
  146    HB   THR  22           HB       THR  22  -9.059   3.049   7.318
  147    HG1  THR  22           HG1      THR  22  -6.280   3.199   6.403
  148   1HG2  THR  22          1HG2      THR  22  -9.244   3.182   4.781
  149   2HG2  THR  22          2HG2      THR  22  -7.469   3.074   4.700
  150   3HG2  THR  22          3HG2      THR  22  -8.415   1.716   5.356
  151    H    PHE  23           H        PHE  23  -9.481   6.819   7.907
  152    HA   PHE  23           HA       PHE  23 -11.802   6.607   6.145
  153   1HB   PHE  23          1HB       PHE  23 -12.813   7.987   8.078
  154   2HB   PHE  23          2HB       PHE  23 -12.259   6.392   8.547
  155    HD1  PHE  23           HD1      PHE  23 -10.907   9.868   8.285
  156    HD2  PHE  23           HD2      PHE  23 -11.012   6.235  10.476
  157    HE1  PHE  23           HE1      PHE  23  -9.455  10.894  10.057
  158    HE2  PHE  23           HE2      PHE  23  -9.560   7.261  12.247
  159    HZ   PHE  23           HZ       PHE  23  -8.799   9.579  12.017
  Start of MODEL    4
    1    H    GLU   1           H        GLU   1  -5.093  -6.856  20.990
    2    HA   GLU   1           HA       GLU   1  -4.138  -8.472  19.512
    3   1HB   GLU   1          1HB       GLU   1  -6.864  -7.422  19.285
    4   2HB   GLU   1          2HB       GLU   1  -6.357  -8.182  17.790
    5   1HG   GLU   1          1HG       GLU   1  -7.055 -10.099  18.855
    6   2HG   GLU   1          2HG       GLU   1  -5.438 -10.057  19.529
    7    H    ASN   2           H        ASN   2  -2.218  -7.701  18.456
    8    HA   ASN   2           HA       ASN   2  -2.596  -6.029  16.154
    9   1HB   ASN   2          1HB       ASN   2  -0.046  -7.339  17.235
   10   2HB   ASN   2          2HB       ASN   2  -0.108  -6.066  16.033
   11   1HD2  ASN   2          2HD2      ASN   2   1.125  -6.201  18.706
   12   2HD2  ASN   2          1HD2      ASN   2   0.521  -4.851  19.608
   13    H    PHE   3           H        PHE   3  -2.275  -6.767  13.972
   14    HA   PHE   3           HA       PHE   3  -1.500  -9.554  13.627
   15   1HB   PHE   3          1HB       PHE   3  -4.123  -8.968  13.765
   16   2HB   PHE   3          2HB       PHE   3  -3.875  -8.310  12.160
   17    HD1  PHE   3           HD1      PHE   3  -2.938  -9.866  10.365
   18    HD2  PHE   3           HD2      PHE   3  -4.452 -11.270  14.072
   19    HE1  PHE   3           HE1      PHE   3  -3.224 -12.158   9.380
   20    HE2  PHE   3           HE2      PHE   3  -4.737 -13.561  13.089
   21    HZ   PHE   3           HZ       PHE   3  -4.120 -13.978  10.754
   22    H    ASN   4           H        ASN   4  -2.565  -6.497  11.974
   23    HA   ASN   4           HA       ASN   4  -0.604  -7.125   9.920
   24   1HB   ASN   4          1HB       ASN   4  -1.914  -5.149   8.731
   25   2HB   ASN   4          2HB       ASN   4  -2.647  -6.740   8.796
   26   1HD2  ASN   4          2HD2      ASN   4  -3.006  -3.487   9.467
   27   2HD2  ASN   4          1HD2      ASN   4  -4.409  -3.528  10.482
   28    H    GLY   5           H        GLY   5   0.689  -6.266  12.116
   29   1HA   GLY   5          1HA       GLY   5   2.383  -4.576  12.170
   30   2HA   GLY   5          2HA       GLY   5   1.209  -3.401  11.613
   31    H    GLY   6           H        GLY   6  -1.029  -4.183  13.292
   32   1HA   GLY   6          1HA       GLY   6  -1.360  -4.528  15.684
   33   2HA   GLY   6          2HA       GLY   6   0.047  -3.523  15.970
   34    H    CYS   7           H        CYS   7  -2.976  -3.297  13.945
   35    HA   CYS   7           HA       CYS   7  -3.168  -0.514  14.798
   36   1HB   CYS   7          1HB       CYS   7  -4.463  -1.998  12.504
   37   2HB   CYS   7          2HB       CYS   7  -4.842  -0.343  12.939
   38    H    LEU   8           H        LEU   8  -5.776   0.089  14.784
   39    HA   LEU   8           HA       LEU   8  -6.828  -1.562  16.910
   40   1HB   LEU   8          1HB       LEU   8  -6.856   0.790  17.252
   41   2HB   LEU   8          2HB       LEU   8  -7.626   1.083  15.706
   42    HG   LEU   8           HG       LEU   8  -9.674  -0.064  16.533
   43   1HD1  LEU   8          1HD1      LEU   8  -8.124  -1.234  18.395
   44   2HD1  LEU   8          2HD1      LEU   8  -8.788   0.109  19.358
   45   3HD1  LEU   8          3HD1      LEU   8  -9.887  -1.041  18.558
   46   1HD2  LEU   8          1HD2      LEU   8  -8.577   2.409  17.819
   47   2HD2  LEU   8          2HD2      LEU   8  -9.909   2.218  16.654
   48   3HD2  LEU   8          3HD2      LEU   8 -10.147   1.765  18.359
   49    H    ALA   9           H        ALA   9  -7.952  -0.321  13.683
   50    HA   ALA   9           HA       ALA   9  -8.799  -2.596  12.584
   51   1HB   ALA   9          1HB       ALA   9 -10.508  -1.919  14.888
   52   2HB   ALA   9          2HB       ALA   9 -11.415  -2.170  13.377
   53   3HB   ALA   9          3HB       ALA   9 -10.346  -3.451  13.996
   54    H    GLY  10           H        GLY  10  -8.443  -1.476  10.679
   55   1HA   GLY  10          1HA       GLY  10  -9.858  -0.446   8.967
   56   2HA   GLY  10          2HA       GLY  10 -10.301   0.768  10.151
   57    H    TYR  11           H        TYR  11  -7.693   1.128  11.393
   58    HA   TYR  11           HA       TYR  11  -6.639   3.100   9.775
   59   1HB   TYR  11          1HB       TYR  11  -5.491   1.279  11.978
   60   2HB   TYR  11          2HB       TYR  11  -4.632   2.695  11.403
   61    HD1  TYR  11           HD1      TYR  11  -5.810   4.985  11.625
   62    HD2  TYR  11           HD2      TYR  11  -7.096   1.466  13.692
   63    HE1  TYR  11           HE1      TYR  11  -7.068   6.421  13.303
   64    HE2  TYR  11           HE2      TYR  11  -8.349   2.915  15.363
   65    HH   TYR  11           HH       TYR  11  -9.298   5.064  15.524
   66    H    MET  12           H        MET  12  -4.524   3.250   8.695
   67    HA   MET  12           HA       MET  12  -3.844   0.681   7.493
   68   1HB   MET  12          1HB       MET  12  -2.829   2.388   5.699
   69   2HB   MET  12          2HB       MET  12  -4.547   2.046   5.695
   70   1HG   MET  12          1HG       MET  12  -5.080   4.099   6.822
   71   2HG   MET  12          2HG       MET  12  -3.426   4.343   7.345
   72   1HE   MET  12          1HE       MET  12  -3.836   6.571   6.744
   73   2HE   MET  12          2HE       MET  12  -2.299   6.650   5.851
   74   3HE   MET  12          3HE       MET  12  -3.788   7.289   5.115
   75    H    ARG  13           H        ARG  13  -1.532   0.322   6.934
   76    HA   ARG  13           HA       ARG  13   0.111   1.544   8.972
   77   1HB   ARG  13          1HB       ARG  13   1.700  -0.332   8.463
   78   2HB   ARG  13          2HB       ARG  13   0.107  -0.918   8.900
   79   1HG   ARG  13          1HG       ARG  13   0.014  -2.051   6.941
   80   2HG   ARG  13          2HG       ARG  13   0.020  -0.524   6.081
   81   1HD   ARG  13          1HD       ARG  13   2.382  -0.556   5.770
   82   2HD   ARG  13          2HD       ARG  13   2.637  -1.697   7.076
   83    HE   ARG  13           HE       ARG  13   2.263  -3.443   5.572
   84   1HH1  ARG  13          1HH1      ARG  13   0.860  -0.497   4.255
   85   2HH1  ARG  13          2HH1      ARG  13   0.441  -1.223   2.738
   86   1HH2  ARG  13          1HH2      ARG  13   1.711  -4.401   3.572
   87   2HH2  ARG  13          2HH2      ARG  13   0.928  -3.458   2.348
   88    H    THR  14           H        THR  14   1.058   3.441   8.238
   89    HA   THR  14           HA       THR  14   1.521   4.064   5.570
   90    HB   THR  14           HB       THR  14   2.988   5.857   6.624
   91    HG1  THR  14           HG1      THR  14   3.553   5.489   8.765
   92   1HG2  THR  14          1HG2      THR  14   0.299   5.207   7.924
   93   2HG2  THR  14          2HG2      THR  14   1.219   6.677   8.327
   94   3HG2  THR  14          3HG2      THR  14   0.631   6.422   6.667
   95    H    ALA  15           H        ALA  15   4.201   4.941   5.416
   96    HA   ALA  15           HA       ALA  15   5.401   2.432   4.682
   97   1HB   ALA  15          1HB       ALA  15   5.400   4.934   3.599
   98   2HB   ALA  15          2HB       ALA  15   6.941   4.969   4.489
   99   3HB   ALA  15          3HB       ALA  15   6.650   3.711   3.265
  100    H    ASP  16           H        ASP  16   5.016   3.891   7.598
  101    HA   ASP  16           HA       ASP  16   7.702   3.117   8.431
  102   1HB   ASP  16          1HB       ASP  16   7.298   5.537   8.740
  103   2HB   ASP  16          2HB       ASP  16   5.812   5.207   9.609
  104    H    GLY  17           H        GLY  17   4.442   2.286   8.360
  105   1HA   GLY  17          1HA       GLY  17   3.560   0.403   9.390
  106   2HA   GLY  17          2HA       GLY  17   4.721   0.545  10.694
  107    H    ARG  18           H        ARG  18   3.960   3.661  10.523
  108    HA   ARG  18           HA       ARG  18   2.460   3.714  12.771
  109   1HB   ARG  18          1HB       ARG  18   2.478   5.773  10.505
  110   2HB   ARG  18          2HB       ARG  18   1.945   6.097  12.142
  111   1HG   ARG  18          1HG       ARG  18   4.247   5.430  12.972
  112   2HG   ARG  18          2HG       ARG  18   4.759   5.252  11.306
  113   1HD   ARG  18          1HD       ARG  18   4.979   7.510  11.016
  114   2HD   ARG  18          2HD       ARG  18   3.432   7.845  11.766
  115    HE   ARG  18           HE       ARG  18   5.112   7.086  13.881
  116   1HH1  ARG  18          1HH1      ARG  18   5.104   9.604  11.423
  117   2HH1  ARG  18          2HH1      ARG  18   5.972  10.740  12.402
  118   1HH2  ARG  18          1HH2      ARG  18   6.257   8.584  15.173
  119   2HH2  ARG  18          2HH2      ARG  18   6.632  10.156  14.549
  120    H    CYS  19           H        CYS  19   0.420   2.892  13.122
  121    HA   CYS  19           HA       CYS  19  -1.319   2.283  11.019
  122   1HB   CYS  19          1HB       CYS  19  -1.793   2.488  13.998
  123   2HB   CYS  19          2HB       CYS  19  -2.979   1.887  12.856
  124    H    LYS  20           H        LYS  20  -1.685   4.192   9.758
  125    HA   LYS  20           HA       LYS  20  -2.749   6.512  11.137
  126   1HB   LYS  20          1HB       LYS  20  -1.438   5.959   8.560
  127   2HB   LYS  20          2HB       LYS  20  -2.781   7.078   8.440
  128   1HG   LYS  20          1HG       LYS  20  -1.574   8.069  10.685
  129   2HG   LYS  20          2HG       LYS  20  -0.172   7.386   9.884
  130   1HD   LYS  20          1HD       LYS  20  -1.185   8.631   7.741
  131   2HD   LYS  20          2HD       LYS  20  -1.999   9.606   8.949
  132   1HE   LYS  20          1HE       LYS  20   0.373   9.844  10.054
  133   2HE   LYS  20          2HE       LYS  20   0.991   9.266   8.519
  134   1HZ   LYS  20          1HZ       LYS  20  -0.455  11.080   7.535
  135   2HZ   LYS  20          2HZ       LYS  20  -0.532  11.703   9.042
  136   3HZ   LYS  20          3HZ       LYS  20   0.913  11.543   8.298
  137    HA   PRO  21           HA       PRO  21  -6.865   5.777  10.058
  138   1HB   PRO  21          1HB       PRO  21  -7.849   8.216   9.313
  139   2HB   PRO  21          2HB       PRO  21  -7.600   7.753  10.985
  140   1HG   PRO  21          1HG       PRO  21  -5.989   9.578   9.308
  141   2HG   PRO  21          2HG       PRO  21  -6.019   9.431  11.054
  142   1HD   PRO  21          1HD       PRO  21  -4.002   8.423   9.282
  143   2HD   PRO  21          2HD       PRO  21  -4.093   8.177  11.015
  144    H    THR  22           H        THR  22  -8.314   5.066   8.511
  145    HA   THR  22           HA       THR  22  -7.235   5.433   5.799
  146    HB   THR  22           HB       THR  22  -9.137   3.269   6.821
  147    HG1  THR  22           HG1      THR  22  -7.295   2.698   7.920
  148   1HG2  THR  22          1HG2      THR  22  -7.197   3.523   4.467
  149   2HG2  THR  22          2HG2      THR  22  -7.915   1.976   4.977
  150   3HG2  THR  22          3HG2      THR  22  -8.960   3.290   4.382
  151    H    PHE  23           H        PHE  23  -9.304   7.005   7.700
  152    HA   PHE  23           HA       PHE  23 -11.457   7.069   5.723
  153   1HB   PHE  23          1HB       PHE  23 -12.578   8.360   7.642
  154   2HB   PHE  23          2HB       PHE  23 -12.135   6.719   8.064
  155    HD1  PHE  23           HD1      PHE  23 -10.649  10.147   8.147
  156    HD2  PHE  23           HD2      PHE  23 -11.062   6.390  10.076
  157    HE1  PHE  23           HE1      PHE  23  -9.331  11.006  10.102
  158    HE2  PHE  23           HE2      PHE  23  -9.743   7.248  12.031
  159    HZ   PHE  23           HZ       PHE  23  -8.894   9.546  12.022
  Start of MODEL    5
    1    H    GLU   1           H        GLU   1 -12.575  -5.603  11.346
    2    HA   GLU   1           HA       GLU   1 -12.390  -6.027  13.690
    3   1HB   GLU   1          1HB       GLU   1 -13.402  -7.850  11.729
    4   2HB   GLU   1          2HB       GLU   1 -12.668  -8.825  12.987
    5   1HG   GLU   1          1HG       GLU   1 -14.821  -8.531  13.856
    6   2HG   GLU   1          2HG       GLU   1 -13.966  -7.219  14.642
    7    H    ASN   2           H        ASN   2 -10.471  -8.454  11.766
    8    HA   ASN   2           HA       ASN   2  -9.002  -9.168  14.082
    9   1HB   ASN   2          1HB       ASN   2  -8.481  -9.798  11.128
   10   2HB   ASN   2          2HB       ASN   2  -7.709 -10.602  12.479
   11   1HD2  ASN   2          2HD2      ASN   2  -9.044 -12.052  10.632
   12   2HD2  ASN   2          1HD2      ASN   2 -10.503 -12.722  11.280
   13    H    PHE   3           H        PHE   3  -6.677  -8.752  14.402
   14    HA   PHE   3           HA       PHE   3  -5.872  -6.176  13.692
   15   1HB   PHE   3          1HB       PHE   3  -3.618  -7.171  14.580
   16   2HB   PHE   3          2HB       PHE   3  -4.982  -7.244  15.679
   17    HD1  PHE   3           HD1      PHE   3  -2.896  -9.224  13.373
   18    HD2  PHE   3           HD2      PHE   3  -5.898  -9.336  16.370
   19    HE1  PHE   3           HE1      PHE   3  -2.599 -11.707  13.576
   20    HE2  PHE   3           HE2      PHE   3  -5.602 -11.821  16.573
   21    HZ   PHE   3           HZ       PHE   3  -3.956 -12.977  15.173
   22    H    ASN   4           H        ASN   4  -4.742  -5.351  11.975
   23    HA   ASN   4           HA       ASN   4  -3.859  -7.320  10.025
   24   1HB   ASN   4          1HB       ASN   4  -3.859  -5.161   8.506
   25   2HB   ASN   4          2HB       ASN   4  -5.396  -5.893   8.917
   26   1HD2  ASN   4          2HD2      ASN   4  -3.389  -3.152   9.141
   27   2HD2  ASN   4          1HD2      ASN   4  -4.404  -2.130  10.103
   28    H    GLY   5           H        GLY   5  -1.994  -7.248  11.902
   29   1HA   GLY   5          1HA       GLY   5   0.361  -6.937  11.539
   30   2HA   GLY   5          2HA       GLY   5   0.034  -5.318  10.954
   31    H    GLY   6           H        GLY   6  -1.911  -4.488  12.925
   32   1HA   GLY   6          1HA       GLY   6  -1.591  -4.822  15.525
   33   2HA   GLY   6          2HA       GLY   6  -0.088  -4.003  15.153
   34    H    CYS   7           H        CYS   7  -3.478  -3.628  13.886
   35    HA   CYS   7           HA       CYS   7  -3.248  -0.797  14.608
   36   1HB   CYS   7          1HB       CYS   7  -4.594  -2.143  12.273
   37   2HB   CYS   7          2HB       CYS   7  -5.053  -0.534  12.793
   38    H    LEU   8           H        LEU   8  -5.654   0.154  14.854
   39    HA   LEU   8           HA       LEU   8  -6.838  -1.355  16.960
   40   1HB   LEU   8          1HB       LEU   8  -6.718   1.004  17.166
   41   2HB   LEU   8          2HB       LEU   8  -7.489   1.260  15.614
   42    HG   LEU   8           HG       LEU   8  -9.600   0.318  16.521
   43   1HD1  LEU   8          1HD1      LEU   8  -7.958  -0.687  18.548
   44   2HD1  LEU   8          2HD1      LEU   8  -8.946   0.569  19.332
   45   3HD1  LEU   8          3HD1      LEU   8  -9.733  -0.764  18.455
   46   1HD2  LEU   8          1HD2      LEU   8  -8.296   2.774  17.594
   47   2HD2  LEU   8          2HD2      LEU   8  -9.744   2.588  16.576
   48   3HD2  LEU   8          3HD2      LEU   8  -9.837   2.264  18.324
   49    H    ALA   9           H        ALA   9  -7.996  -0.230  13.703
   50    HA   ALA   9           HA       ALA   9  -9.002  -2.502  12.748
   51   1HB   ALA   9          1HB       ALA   9 -10.592  -1.627  15.075
   52   2HB   ALA   9          2HB       ALA   9 -11.560  -1.922  13.612
   53   3HB   ALA   9          3HB       ALA   9 -10.524  -3.211  14.269
   54    H    GLY  10           H        GLY  10  -8.590  -1.422  10.813
   55   1HA   GLY  10          1HA       GLY  10 -10.006  -0.425   9.077
   56   2HA   GLY  10          2HA       GLY  10 -10.413   0.836  10.224
   57    H    TYR  11           H        TYR  11  -7.757   1.135  11.427
   58    HA   TYR  11           HA       TYR  11  -6.687   3.058   9.759
   59   1HB   TYR  11          1HB       TYR  11  -5.574   1.240  11.979
   60   2HB   TYR  11          2HB       TYR  11  -4.645   2.584  11.345
   61    HD1  TYR  11           HD1      TYR  11  -7.630   1.647  13.304
   62    HD2  TYR  11           HD2      TYR  11  -5.182   4.874  11.927
   63    HE1  TYR  11           HE1      TYR  11  -8.760   3.217  14.953
   64    HE2  TYR  11           HE2      TYR  11  -6.320   6.434  13.581
   65    HH   TYR  11           HH       TYR  11  -7.513   6.094  15.845
   66    H    MET  12           H        MET  12  -4.564   3.129   8.663
   67    HA   MET  12           HA       MET  12  -3.997   0.531   7.462
   68   1HB   MET  12          1HB       MET  12  -3.015   2.081   5.586
   69   2HB   MET  12          2HB       MET  12  -4.760   1.999   5.728
   70   1HG   MET  12          1HG       MET  12  -4.820   4.104   6.995
   71   2HG   MET  12          2HG       MET  12  -3.070   4.150   7.091
   72   1HE   MET  12          1HE       MET  12  -3.425   6.361   6.545
   73   2HE   MET  12          2HE       MET  12  -2.702   6.780   4.974
   74   3HE   MET  12          3HE       MET  12  -4.454   6.970   5.226
   75    H    ARG  13           H        ARG  13  -1.657   0.264   6.689
   76    HA   ARG  13           HA       ARG  13   0.042   1.360   8.766
   77   1HB   ARG  13          1HB       ARG  13   0.383  -1.062   6.928
   78   2HB   ARG  13          2HB       ARG  13   1.613  -0.530   8.058
   79   1HG   ARG  13          1HG       ARG  13  -1.105  -0.850   9.244
   80   2HG   ARG  13          2HG       ARG  13  -0.386  -2.338   8.660
   81   1HD   ARG  13          1HD       ARG  13   1.675  -0.893  10.061
   82   2HD   ARG  13          2HD       ARG  13   0.243  -0.862  11.071
   83    HE   ARG  13           HE       ARG  13   0.357  -3.500  10.244
   84   1HH1  ARG  13          1HH1      ARG  13   2.667  -1.334  11.779
   85   2HH1  ARG  13          2HH1      ARG  13   3.500  -2.605  12.611
   86   1HH2  ARG  13          1HH2      ARG  13   1.456  -5.177  11.341
   87   2HH2  ARG  13          2HH2      ARG  13   2.806  -4.805  12.360
   88    H    THR  14           H        THR  14   1.035   3.240   8.055
   89    HA   THR  14           HA       THR  14   1.484   3.807   5.332
   90    HB   THR  14           HB       THR  14   2.720   5.759   6.317
   91    HG1  THR  14           HG1      THR  14   2.711   5.605   8.788
   92   1HG2  THR  14          1HG2      THR  14   0.025   5.297   6.631
   93   2HG2  THR  14          2HG2      THR  14   0.534   5.408   8.333
   94   3HG2  THR  14          3HG2      THR  14   0.839   6.766   7.224
   95    H    ALA  15           H        ALA  15   4.112   4.829   5.250
   96    HA   ALA  15           HA       ALA  15   5.505   2.320   4.833
   97   1HB   ALA  15          1HB       ALA  15   5.476   5.000   3.684
   98   2HB   ALA  15          2HB       ALA  15   7.134   4.481   4.069
   99   3HB   ALA  15          3HB       ALA  15   6.114   3.484   3.005
  100    H    ASP  16           H        ASP  16   4.929   4.019   7.514
  101    HA   ASP  16           HA       ASP  16   7.711   3.930   8.378
  102   1HB   ASP  16          1HB       ASP  16   5.377   5.694   9.046
  103   2HB   ASP  16          2HB       ASP  16   6.439   5.290  10.380
  104    H    GLY  17           H        GLY  17   4.476   2.632   8.649
  105   1HA   GLY  17          1HA       GLY  17   4.051   0.579   9.693
  106   2HA   GLY  17          2HA       GLY  17   5.343   0.877  10.840
  107    H    ARG  18           H        ARG  18   3.761   3.821  10.494
  108    HA   ARG  18           HA       ARG  18   2.501   3.455  13.015
  109   1HB   ARG  18          1HB       ARG  18   2.424   5.906  11.188
  110   2HB   ARG  18          2HB       ARG  18   2.086   5.881  12.907
  111   1HG   ARG  18          1HG       ARG  18   4.396   5.343  13.445
  112   2HG   ARG  18          2HG       ARG  18   4.779   5.017  11.766
  113   1HD   ARG  18          1HD       ARG  18   5.430   7.187  11.576
  114   2HD   ARG  18          2HD       ARG  18   3.745   7.644  11.724
  115    HE   ARG  18           HE       ARG  18   5.795   7.790  13.831
  116   1HH1  ARG  18          1HH1      ARG  18   2.351   7.804  13.106
  117   2HH1  ARG  18          2HH1      ARG  18   1.914   8.598  14.582
  118   1HH2  ARG  18          1HH2      ARG  18   5.219   8.837  15.778
  119   2HH2  ARG  18          2HH2      ARG  18   3.556   9.190  16.112
  120    H    CYS  19           H        CYS  19   0.461   2.567  13.148
  121    HA   CYS  19           HA       CYS  19  -1.204   2.172  11.006
  122   1HB   CYS  19          1HB       CYS  19  -1.811   2.345  13.960
  123   2HB   CYS  19          2HB       CYS  19  -2.998   1.868  12.763
  124    H    LYS  20           H        LYS  20  -1.679   3.963   9.695
  125    HA   LYS  20           HA       LYS  20  -2.586   6.395  11.007
  126   1HB   LYS  20          1HB       LYS  20  -1.444   5.678   8.363
  127   2HB   LYS  20          2HB       LYS  20  -2.647   6.951   8.352
  128   1HG   LYS  20          1HG       LYS  20  -0.723   7.243  10.576
  129   2HG   LYS  20          2HG       LYS  20   0.063   7.249   9.010
  130   1HD   LYS  20          1HD       LYS  20  -1.758   8.965   8.288
  131   2HD   LYS  20          2HD       LYS  20  -2.138   9.108   9.993
  132   1HE   LYS  20          1HE       LYS  20   0.769   9.307   9.341
  133   2HE   LYS  20          2HE       LYS  20  -0.217  10.606   8.700
  134   1HZ   LYS  20          1HZ       LYS  20  -0.371   9.754  11.502
  135   2HZ   LYS  20          2HZ       LYS  20   0.642  10.928  10.990
  136   3HZ   LYS  20          3HZ       LYS  20  -0.973  11.121  10.842
  137    HA   PRO  21           HA       PRO  21  -6.751   5.753  10.070
  138   1HB   PRO  21          1HB       PRO  21  -7.680   8.221   9.355
  139   2HB   PRO  21          2HB       PRO  21  -7.399   7.749  11.018
  140   1HG   PRO  21          1HG       PRO  21  -5.780   9.527   9.298
  141   2HG   PRO  21          2HG       PRO  21  -5.766   9.377  11.044
  142   1HD   PRO  21          1HD       PRO  21  -3.830   8.313   9.215
  143   2HD   PRO  21          2HD       PRO  21  -3.880   8.066  10.949
  144    H    THR  22           H        THR  22  -8.280   5.111   8.563
  145    HA   THR  22           HA       THR  22  -7.226   5.358   5.834
  146    HB   THR  22           HB       THR  22  -9.347   3.445   6.927
  147    HG1  THR  22           HG1      THR  22  -6.469   3.089   6.513
  148   1HG2  THR  22          1HG2      THR  22  -7.400   3.341   4.563
  149   2HG2  THR  22          2HG2      THR  22  -8.450   1.997   5.073
  150   3HG2  THR  22          3HG2      THR  22  -9.169   3.500   4.449
  151    H    PHE  23           H        PHE  23  -9.083   7.195   7.714
  152    HA   PHE  23           HA       PHE  23 -11.564   7.443   6.818
  153   1HB   PHE  23          1HB       PHE  23  -9.491   9.715   6.894
  154   2HB   PHE  23          2HB       PHE  23 -11.212   9.899   7.173
  155    HD1  PHE  23           HD1      PHE  23 -11.383   7.280   8.886
  156    HD2  PHE  23           HD2      PHE  23  -8.874  10.700   9.003
  157    HE1  PHE  23           HE1      PHE  23 -11.022   6.931  11.345
  158    HE2  PHE  23           HE2      PHE  23  -8.512  10.351  11.462
  159    HZ   PHE  23           HZ       PHE  23  -9.590   8.470  12.604
  Start of MODEL    6
    1    H    GLU   1           H        GLU   1  -7.366 -14.922  14.821
    2    HA   GLU   1           HA       GLU   1  -6.947 -12.652  15.432
    3   1HB   GLU   1          1HB       GLU   1  -5.051 -14.840  15.738
    4   2HB   GLU   1          2HB       GLU   1  -4.193 -13.313  15.722
    5   1HG   GLU   1          1HG       GLU   1  -5.948 -12.468  17.428
    6   2HG   GLU   1          2HG       GLU   1  -6.469 -14.135  17.575
    7    H    ASN   2           H        ASN   2  -7.171 -11.105  13.751
    8    HA   ASN   2           HA       ASN   2  -5.349 -10.949  11.648
    9   1HB   ASN   2          1HB       ASN   2  -7.224  -8.840  12.842
   10   2HB   ASN   2          2HB       ASN   2  -6.384  -8.643  11.318
   11   1HD2  ASN   2          2HD2      ASN   2  -9.227  -9.450  12.667
   12   2HD2  ASN   2          1HD2      ASN   2  -9.921 -10.473  11.454
   13    H    PHE   3           H        PHE   3  -3.594  -9.381  11.335
   14    HA   PHE   3           HA       PHE   3  -2.933  -7.492  13.323
   15   1HB   PHE   3          1HB       PHE   3  -2.320  -9.858  14.293
   16   2HB   PHE   3          2HB       PHE   3  -1.106  -9.943  13.031
   17    HD1  PHE   3           HD1      PHE   3  -2.179  -7.259  15.407
   18    HD2  PHE   3           HD2      PHE   3   1.001  -9.619  13.883
   19    HE1  PHE   3           HE1      PHE   3  -0.562  -6.029  16.880
   20    HE2  PHE   3           HE2      PHE   3   2.619  -8.390  15.357
   21    HZ   PHE   3           HZ       PHE   3   1.819  -6.609  16.838
   22    H    ASN   4           H        ASN   4  -2.737  -6.083  11.536
   23    HA   ASN   4           HA       ASN   4  -0.697  -6.844   9.612
   24   1HB   ASN   4          1HB       ASN   4  -1.689  -4.728   8.393
   25   2HB   ASN   4          2HB       ASN   4  -2.635  -6.203   8.400
   26   1HD2  ASN   4          2HD2      ASN   4  -2.818  -2.994   8.769
   27   2HD2  ASN   4          1HD2      ASN   4  -4.183  -2.828   9.822
   28    H    GLY   5           H        GLY   5   0.584  -6.222  11.863
   29   1HA   GLY   5          1HA       GLY   5   2.432  -4.705  12.054
   30   2HA   GLY   5          2HA       GLY   5   1.380  -3.393  11.563
   31    H    GLY   6           H        GLY   6  -0.957  -4.062  13.138
   32   1HA   GLY   6          1HA       GLY   6  -1.278  -4.603  15.540
   33   2HA   GLY   6          2HA       GLY   6   0.112  -3.582  15.856
   34    H    CYS   7           H        CYS   7  -2.876  -3.314  13.785
   35    HA   CYS   7           HA       CYS   7  -3.121  -0.570  14.722
   36   1HB   CYS   7          1HB       CYS   7  -4.472  -2.028  12.442
   37   2HB   CYS   7          2HB       CYS   7  -4.800  -0.368  12.893
   38    H    LEU   8           H        LEU   8  -5.730   0.002  14.771
   39    HA   LEU   8           HA       LEU   8  -6.738  -1.745  16.852
   40   1HB   LEU   8          1HB       LEU   8  -6.710   0.581  17.345
   41   2HB   LEU   8          2HB       LEU   8  -7.517   0.985  15.843
   42    HG   LEU   8           HG       LEU   8  -9.583  -0.060  16.621
   43   1HD1  LEU   8          1HD1      LEU   8  -8.419  -1.805  18.028
   44   2HD1  LEU   8          2HD1      LEU   8  -8.238  -0.556  19.283
   45   3HD1  LEU   8          3HD1      LEU   8  -9.862  -1.056  18.754
   46   1HD2  LEU   8          1HD2      LEU   8  -8.514   2.329  17.490
   47   2HD2  LEU   8          2HD2      LEU   8 -10.210   1.817  17.652
   48   3HD2  LEU   8          3HD2      LEU   8  -9.072   1.567  18.998
   49    H    ALA   9           H        ALA   9  -7.909  -0.286  13.736
   50    HA   ALA   9           HA       ALA   9  -8.833  -2.475  12.527
   51   1HB   ALA   9          1HB       ALA   9 -10.501  -1.861  14.891
   52   2HB   ALA   9          2HB       ALA   9 -11.417  -2.065  13.379
   53   3HB   ALA   9          3HB       ALA   9 -10.351  -3.368  13.957
   54    H    GLY  10           H        GLY  10  -8.677  -1.401  10.605
   55   1HA   GLY  10          1HA       GLY  10 -10.045  -0.199   9.022
   56   2HA   GLY  10          2HA       GLY  10 -10.418   0.966  10.276
   57    H    TYR  11           H        TYR  11  -7.687   1.081  11.416
   58    HA   TYR  11           HA       TYR  11  -6.655   3.131   9.823
   59   1HB   TYR  11          1HB       TYR  11  -5.508   1.258  11.985
   60   2HB   TYR  11          2HB       TYR  11  -4.650   2.682  11.428
   61    HD1  TYR  11           HD1      TYR  11  -5.965   4.961  11.613
   62    HD2  TYR  11           HD2      TYR  11  -6.942   1.428  13.820
   63    HE1  TYR  11           HE1      TYR  11  -7.194   6.369  13.336
   64    HE2  TYR  11           HE2      TYR  11  -8.168   2.849  15.536
   65    HH   TYR  11           HH       TYR  11  -9.300   5.635  15.088
   66    H    MET  12           H        MET  12  -4.557   3.241   8.713
   67    HA   MET  12           HA       MET  12  -3.936   0.663   7.496
   68   1HB   MET  12          1HB       MET  12  -2.968   2.291   5.647
   69   2HB   MET  12          2HB       MET  12  -4.705   2.082   5.743
   70   1HG   MET  12          1HG       MET  12  -5.061   4.210   6.650
   71   2HG   MET  12          2HG       MET  12  -3.496   4.258   7.438
   72   1HE   MET  12          1HE       MET  12  -3.785   6.557   6.775
   73   2HE   MET  12          2HE       MET  12  -2.104   6.624   6.196
   74   3HE   MET  12          3HE       MET  12  -3.421   7.264   5.183
   75    H    ARG  13           H        ARG  13  -1.621   0.336   6.830
   76    HA   ARG  13           HA       ARG  13   0.068   1.527   8.856
   77   1HB   ARG  13          1HB       ARG  13   1.608  -0.364   8.391
   78   2HB   ARG  13          2HB       ARG  13  -0.004  -0.959   8.733
   79   1HG   ARG  13          1HG       ARG  13   0.131  -2.105   6.775
   80   2HG   ARG  13          2HG       ARG  13  -0.075  -0.565   5.965
   81   1HD   ARG  13          1HD       ARG  13   2.072  -0.580   5.206
   82   2HD   ARG  13          2HD       ARG  13   2.708  -0.894   6.808
   83    HE   ARG  13           HE       ARG  13   1.466  -3.234   5.528
   84   1HH1  ARG  13          1HH1      ARG  13   4.439  -1.419   6.026
   85   2HH1  ARG  13          2HH1      ARG  13   5.471  -2.761   5.660
   86   1HH2  ARG  13          1HH2      ARG  13   2.827  -5.006   5.045
   87   2HH2  ARG  13          2HH2      ARG  13   4.548  -4.815   5.099
   88    H    THR  14           H        THR  14   1.091   3.380   8.130
   89    HA   THR  14           HA       THR  14   1.477   4.002   5.434
   90    HB   THR  14           HB       THR  14   2.713   5.895   6.355
   91    HG1  THR  14           HG1      THR  14   2.869   4.012   8.596
   92   1HG2  THR  14          1HG2      THR  14   0.221   5.046   7.539
   93   2HG2  THR  14          2HG2      THR  14   1.247   5.695   8.840
   94   3HG2  THR  14          3HG2      THR  14   0.864   6.702   7.424
   95    H    ALA  15           H        ALA  15   4.301   4.896   5.608
   96    HA   ALA  15           HA       ALA  15   5.445   2.347   4.779
   97   1HB   ALA  15          1HB       ALA  15   5.413   4.506   3.363
   98   2HB   ALA  15          2HB       ALA  15   6.662   5.108   4.480
   99   3HB   ALA  15          3HB       ALA  15   6.966   3.647   3.509
  100    H    ASP  16           H        ASP  16   5.068   3.916   7.634
  101    HA   ASP  16           HA       ASP  16   7.783   3.257   8.469
  102   1HB   ASP  16          1HB       ASP  16   6.145   5.608   8.900
  103   2HB   ASP  16          2HB       ASP  16   6.420   4.840  10.451
  104    H    GLY  17           H        GLY  17   4.492   2.381   8.502
  105   1HA   GLY  17          1HA       GLY  17   3.706   0.446   9.539
  106   2HA   GLY  17          2HA       GLY  17   4.901   0.621  10.810
  107    H    ARG  18           H        ARG  18   3.915   3.731  10.482
  108    HA   ARG  18           HA       ARG  18   2.476   3.710  12.830
  109   1HB   ARG  18          1HB       ARG  18   2.385   5.862  10.658
  110   2HB   ARG  18          2HB       ARG  18   2.061   6.097  12.364
  111   1HG   ARG  18          1HG       ARG  18   4.556   4.990  12.532
  112   2HG   ARG  18          2HG       ARG  18   4.685   5.749  10.957
  113   1HD   ARG  18          1HD       ARG  18   3.404   7.648  12.698
  114   2HD   ARG  18          2HD       ARG  18   4.775   6.996  13.574
  115    HE   ARG  18           HE       ARG  18   6.187   8.154  12.125
  116   1HH1  ARG  18          1HH1      ARG  18   3.078   7.706  10.539
  117   2HH1  ARG  18          2HH1      ARG  18   3.509   8.644   9.148
  118   1HH2  ARG  18          1HH2      ARG  18   6.756   9.391  10.290
  119   2HH2  ARG  18          2HH2      ARG  18   5.614   9.609   9.005
  120    H    CYS  19           H        CYS  19   0.446   2.832  13.115
  121    HA   CYS  19           HA       CYS  19  -1.272   2.313  10.973
  122   1HB   CYS  19          1HB       CYS  19  -1.767   2.377  13.954
  123   2HB   CYS  19          2HB       CYS  19  -2.947   1.831  12.779
  124    H    LYS  20           H        LYS  20  -1.791   4.185   9.769
  125    HA   LYS  20           HA       LYS  20  -2.841   6.464  11.252
  126   1HB   LYS  20          1HB       LYS  20  -1.349   6.097   8.800
  127   2HB   LYS  20          2HB       LYS  20  -2.817   6.998   8.480
  128   1HG   LYS  20          1HG       LYS  20  -2.141   8.816   9.721
  129   2HG   LYS  20          2HG       LYS  20  -1.396   7.828  10.962
  130   1HD   LYS  20          1HD       LYS  20   0.577   7.435   9.555
  131   2HD   LYS  20          2HD       LYS  20  -0.183   8.226   8.188
  132   1HE   LYS  20          1HE       LYS  20  -0.385  10.229  10.048
  133   2HE   LYS  20          2HE       LYS  20   1.064   9.433  10.629
  134   1HZ   LYS  20          1HZ       LYS  20   0.673  10.272   7.841
  135   2HZ   LYS  20          2HZ       LYS  20   1.480  11.148   8.958
  136   3HZ   LYS  20          3HZ       LYS  20   2.049   9.689   8.498
  137    HA   PRO  21           HA       PRO  21  -6.926   5.769  10.027
  138   1HB   PRO  21          1HB       PRO  21  -7.884   8.185   9.185
  139   2HB   PRO  21          2HB       PRO  21  -7.684   7.770  10.876
  140   1HG   PRO  21          1HG       PRO  21  -6.022   9.546   9.194
  141   2HG   PRO  21          2HG       PRO  21  -6.104   9.449  10.942
  142   1HD   PRO  21          1HD       PRO  21  -4.037   8.390   9.259
  143   2HD   PRO  21          2HD       PRO  21  -4.178   8.194  10.995
  144    H    THR  22           H        THR  22  -8.358   5.052   8.455
  145    HA   THR  22           HA       THR  22  -7.220   5.381   5.758
  146    HB   THR  22           HB       THR  22  -9.009   3.132   6.802
  147    HG1  THR  22           HG1      THR  22  -6.791   3.599   7.869
  148   1HG2  THR  22          1HG2      THR  22  -8.424   3.619   4.223
  149   2HG2  THR  22          2HG2      THR  22  -6.864   2.895   4.681
  150   3HG2  THR  22          3HG2      THR  22  -8.367   1.961   4.867
  151    H    PHE  23           H        PHE  23  -9.394   6.866   7.610
  152    HA   PHE  23           HA       PHE  23 -11.537   6.773   5.628
  153   1HB   PHE  23          1HB       PHE  23 -12.706   8.095   7.505
  154   2HB   PHE  23          2HB       PHE  23 -12.210   6.480   7.973
  155    HD1  PHE  23           HD1      PHE  23 -10.856   9.962   7.970
  156    HD2  PHE  23           HD2      PHE  23 -11.103   6.233   9.979
  157    HE1  PHE  23           HE1      PHE  23  -9.565  10.917   9.900
  158    HE2  PHE  23           HE2      PHE  23  -9.812   7.187  11.909
  159    HZ   PHE  23           HZ       PHE  23  -9.058   9.517  11.846
  Start of MODEL    7
    1    H    GLU   1           H        GLU   1 -10.744 -13.755  15.882
    2    HA   GLU   1           HA       GLU   1  -9.257 -11.887  15.931
    3   1HB   GLU   1          1HB       GLU   1  -9.004 -13.974  17.485
    4   2HB   GLU   1          2HB       GLU   1  -7.588 -14.352  16.524
    5   1HG   GLU   1          1HG       GLU   1  -6.350 -12.678  17.470
    6   2HG   GLU   1          2HG       GLU   1  -7.655 -11.515  17.343
    7    H    ASN   2           H        ASN   2  -8.419 -10.748  14.215
    8    HA   ASN   2           HA       ASN   2  -6.259 -12.081  12.788
    9   1HB   ASN   2          1HB       ASN   2  -8.764 -11.142  11.703
   10   2HB   ASN   2          2HB       ASN   2  -7.516 -10.059  11.118
   11   1HD2  ASN   2          2HD2      ASN   2  -6.223 -10.667   9.524
   12   2HD2  ASN   2          1HD2      ASN   2  -6.139 -12.245   8.818
   13    H    PHE   3           H        PHE   3  -4.806 -10.324  11.657
   14    HA   PHE   3           HA       PHE   3  -4.950  -7.757  13.036
   15   1HB   PHE   3          1HB       PHE   3  -3.046  -9.973  13.416
   16   2HB   PHE   3          2HB       PHE   3  -2.196  -8.575  12.790
   17    HD1  PHE   3           HD1      PHE   3  -3.109  -6.281  14.032
   18    HD2  PHE   3           HD2      PHE   3  -2.964 -10.181  15.699
   19    HE1  PHE   3           HE1      PHE   3  -3.034  -5.293  16.339
   20    HE2  PHE   3           HE2      PHE   3  -2.889  -9.192  18.005
   21    HZ   PHE   3           HZ       PHE   3  -2.925  -6.760  18.297
   22    H    ASN   4           H        ASN   4  -3.061  -6.280  12.068
   23    HA   ASN   4           HA       ASN   4  -2.552  -6.952   9.321
   24   1HB   ASN   4          1HB       ASN   4  -4.729  -5.783   9.173
   25   2HB   ASN   4          2HB       ASN   4  -4.133  -4.471  10.171
   26   1HD2  ASN   4          2HD2      ASN   4  -3.541  -2.732   9.145
   27   2HD2  ASN   4          1HD2      ASN   4  -2.928  -2.615   7.530
   28    H    GLY   5           H        GLY   5  -0.677  -6.868  11.346
   29   1HA   GLY   5          1HA       GLY   5   1.475  -5.894  11.236
   30   2HA   GLY   5          2HA       GLY   5   0.761  -4.355  10.802
   31    H    GLY   6           H        GLY   6  -1.416  -4.397  12.780
   32   1HA   GLY   6          1HA       GLY   6  -1.283  -4.817  15.280
   33   2HA   GLY   6          2HA       GLY   6   0.204  -3.892  15.197
   34    H    CYS   7           H        CYS   7  -3.149  -3.584  13.801
   35    HA   CYS   7           HA       CYS   7  -3.067  -0.790  14.677
   36   1HB   CYS   7          1HB       CYS   7  -4.334  -2.107  12.289
   37   2HB   CYS   7          2HB       CYS   7  -4.952  -0.586  12.904
   38    H    LEU   8           H        LEU   8  -5.658  -0.067  14.781
   39    HA   LEU   8           HA       LEU   8  -6.703  -1.782  16.864
   40   1HB   LEU   8          1HB       LEU   8  -6.584   0.544  17.347
   41   2HB   LEU   8          2HB       LEU   8  -7.404   0.971  15.859
   42    HG   LEU   8           HG       LEU   8  -9.497   0.085  16.666
   43   1HD1  LEU   8          1HD1      LEU   8  -8.495  -1.843  17.910
   44   2HD1  LEU   8          2HD1      LEU   8  -8.106  -0.716  19.232
   45   3HD1  LEU   8          3HD1      LEU   8  -9.802  -0.999  18.773
   46   1HD2  LEU   8          1HD2      LEU   8  -8.373   2.362  17.541
   47   2HD2  LEU   8          2HD2      LEU   8 -10.012   1.839  17.996
   48   3HD2  LEU   8          3HD2      LEU   8  -8.647   1.551  19.101
   49    H    ALA   9           H        ALA   9  -7.884  -0.286  13.769
   50    HA   ALA   9           HA       ALA   9  -8.902  -2.440  12.575
   51   1HB   ALA   9          1HB       ALA   9 -10.469  -1.822  14.991
   52   2HB   ALA   9          2HB       ALA   9 -11.456  -1.909  13.512
   53   3HB   ALA   9          3HB       ALA   9 -10.446  -3.294  13.990
   54    H    GLY  10           H        GLY  10  -8.579  -1.244  10.718
   55   1HA   GLY  10          1HA       GLY  10 -10.007  -0.030   9.142
   56   2HA   GLY  10          2HA       GLY  10 -10.304   1.142  10.410
   57    H    TYR  11           H        TYR  11  -7.593   1.214  11.515
   58    HA   TYR  11           HA       TYR  11  -6.495   3.206   9.924
   59   1HB   TYR  11          1HB       TYR  11  -5.384   1.242  12.021
   60   2HB   TYR  11          2HB       TYR  11  -4.460   2.621  11.457
   61    HD1  TYR  11           HD1      TYR  11  -5.851   4.949  11.592
   62    HD2  TYR  11           HD2      TYR  11  -6.540   1.489  14.013
   63    HE1  TYR  11           HE1      TYR  11  -6.949   6.401  13.366
   64    HE2  TYR  11           HE2      TYR  11  -7.635   2.954  15.780
   65    HH   TYR  11           HH       TYR  11  -7.669   5.185  16.497
   66    H    MET  12           H        MET  12  -4.450   3.262   8.735
   67    HA   MET  12           HA       MET  12  -3.986   0.697   7.427
   68   1HB   MET  12          1HB       MET  12  -2.962   2.315   5.619
   69   2HB   MET  12          2HB       MET  12  -4.707   2.261   5.767
   70   1HG   MET  12          1HG       MET  12  -4.834   4.368   6.790
   71   2HG   MET  12          2HG       MET  12  -3.232   4.249   7.491
   72   1HE   MET  12          1HE       MET  12  -3.809   6.743   6.634
   73   2HE   MET  12          2HE       MET  12  -2.037   6.613   6.515
   74   3HE   MET  12          3HE       MET  12  -2.968   7.330   5.179
   75    H    ARG  13           H        ARG  13  -1.682   0.342   6.620
   76    HA   ARG  13           HA       ARG  13   0.086   1.176   8.742
   77   1HB   ARG  13          1HB       ARG  13  -0.236  -1.215   7.115
   78   2HB   ARG  13          2HB       ARG  13   1.402  -0.621   6.926
   79   1HG   ARG  13          1HG       ARG  13   0.936  -0.366   9.686
   80   2HG   ARG  13          2HG       ARG  13   0.122  -1.863   9.277
   81   1HD   ARG  13          1HD       ARG  13   2.179  -2.758   8.246
   82   2HD   ARG  13          2HD       ARG  13   3.004  -1.230   8.478
   83    HE   ARG  13           HE       ARG  13   1.960  -2.259  10.988
   84   1HH1  ARG  13          1HH1      ARG  13   4.613  -2.575   8.698
   85   2HH1  ARG  13          2HH1      ARG  13   5.729  -3.178   9.878
   86   1HH2  ARG  13          1HH2      ARG  13   3.432  -3.054  12.545
   87   2HH2  ARG  13          2HH2      ARG  13   5.052  -3.453  12.081
   88    H    THR  14           H        THR  14   1.137   3.105   8.306
   89    HA   THR  14           HA       THR  14   1.544   4.077   5.693
   90    HB   THR  14           HB       THR  14   3.109   5.667   7.086
   91    HG1  THR  14           HG1      THR  14   3.421   4.787   9.091
   92   1HG2  THR  14          1HG2      THR  14   0.145   5.215   7.592
   93   2HG2  THR  14          2HG2      THR  14   1.032   6.436   8.536
   94   3HG2  THR  14          3HG2      THR  14   0.937   6.579   6.764
   95    H    ALA  15           H        ALA  15   4.162   5.003   5.588
   96    HA   ALA  15           HA       ALA  15   5.450   2.595   4.695
   97   1HB   ALA  15          1HB       ALA  15   5.986   5.566   4.542
   98   2HB   ALA  15          2HB       ALA  15   7.249   4.393   4.095
   99   3HB   ALA  15          3HB       ALA  15   5.697   4.406   3.223
  100    H    ASP  16           H        ASP  16   5.052   3.960   7.697
  101    HA   ASP  16           HA       ASP  16   7.719   3.086   8.494
  102   1HB   ASP  16          1HB       ASP  16   6.268   5.548   9.038
  103   2HB   ASP  16          2HB       ASP  16   6.538   4.701  10.548
  104    H    GLY  17           H        GLY  17   4.453   2.337   8.403
  105   1HA   GLY  17          1HA       GLY  17   3.523   0.460   9.404
  106   2HA   GLY  17          2HA       GLY  17   4.674   0.568  10.722
  107    H    ARG  18           H        ARG  18   3.991   3.696  10.597
  108    HA   ARG  18           HA       ARG  18   2.475   3.771  12.821
  109   1HB   ARG  18          1HB       ARG  18   2.496   5.831  10.556
  110   2HB   ARG  18          2HB       ARG  18   1.994   6.157  12.203
  111   1HG   ARG  18          1HG       ARG  18   4.323   5.395  12.961
  112   2HG   ARG  18          2HG       ARG  18   4.784   5.342  11.271
  113   1HD   ARG  18          1HD       ARG  18   4.627   7.685  11.008
  114   2HD   ARG  18          2HD       ARG  18   3.503   7.867  12.340
  115    HE   ARG  18           HE       ARG  18   5.717   6.959  13.651
  116   1HH1  ARG  18          1HH1      ARG  18   5.326   9.483  11.231
  117   2HH1  ARG  18          2HH1      ARG  18   6.653  10.429  11.818
  118   1HH2  ARG  18          1HH2      ARG  18   7.468   8.206  14.425
  119   2HH2  ARG  18          2HH2      ARG  18   7.880   9.698  13.647
  120    H    CYS  19           H        CYS  19   0.429   2.961  13.170
  121    HA   CYS  19           HA       CYS  19  -1.316   2.359  11.077
  122   1HB   CYS  19          1HB       CYS  19  -1.743   2.585  14.059
  123   2HB   CYS  19          2HB       CYS  19  -2.994   2.062  12.949
  124    H    LYS  20           H        LYS  20  -1.797   4.170   9.766
  125    HA   LYS  20           HA       LYS  20  -2.804   6.549  11.116
  126   1HB   LYS  20          1HB       LYS  20  -1.360   5.998   8.654
  127   2HB   LYS  20          2HB       LYS  20  -2.789   6.962   8.340
  128   1HG   LYS  20          1HG       LYS  20  -1.975   8.344  10.467
  129   2HG   LYS  20          2HG       LYS  20  -0.424   7.607  10.117
  130   1HD   LYS  20          1HD       LYS  20  -0.493   8.503   7.798
  131   2HD   LYS  20          2HD       LYS  20  -2.079   9.189   8.093
  132   1HE   LYS  20          1HE       LYS  20  -1.240  10.830   9.592
  133   2HE   LYS  20          2HE       LYS  20   0.224   9.927   9.922
  134   1HZ   LYS  20          1HZ       LYS  20   0.925  10.359   7.661
  135   2HZ   LYS  20          2HZ       LYS  20  -0.437  11.208   7.361
  136   3HZ   LYS  20          3HZ       LYS  20   0.645  11.759   8.453
  137    HA   PRO  21           HA       PRO  21  -6.906   5.844   9.956
  138   1HB   PRO  21          1HB       PRO  21  -7.837   8.236   9.018
  139   2HB   PRO  21          2HB       PRO  21  -7.633   7.890  10.723
  140   1HG   PRO  21          1HG       PRO  21  -5.957   9.571   8.960
  141   2HG   PRO  21          2HG       PRO  21  -6.029   9.547  10.711
  142   1HD   PRO  21          1HD       PRO  21  -3.986   8.392   9.063
  143   2HD   PRO  21          2HD       PRO  21  -4.121   8.270  10.806
  144    H    THR  22           H        THR  22  -8.291   4.995   8.436
  145    HA   THR  22           HA       THR  22  -7.238   5.308   5.702
  146    HB   THR  22           HB       THR  22  -8.833   2.956   6.823
  147    HG1  THR  22           HG1      THR  22  -6.770   2.141   7.413
  148   1HG2  THR  22          1HG2      THR  22  -6.825   3.256   4.526
  149   2HG2  THR  22          2HG2      THR  22  -7.600   1.732   5.023
  150   3HG2  THR  22          3HG2      THR  22  -8.583   3.048   4.336
  151    H    PHE  23           H        PHE  23  -9.470   6.663   7.589
  152    HA   PHE  23           HA       PHE  23 -11.633   6.379   5.641
  153   1HB   PHE  23          1HB       PHE  23 -12.877   7.602   7.557
  154   2HB   PHE  23          2HB       PHE  23 -12.289   6.003   7.968
  155    HD1  PHE  23           HD1      PHE  23 -11.069   9.538   8.039
  156    HD2  PHE  23           HD2      PHE  23 -11.214   5.772   9.988
  157    HE1  PHE  23           HE1      PHE  23  -9.818  10.499   9.991
  158    HE2  PHE  23           HE2      PHE  23  -9.963   6.733  11.941
  159    HZ   PHE  23           HZ       PHE  23  -9.280   9.086  11.918
  Start of MODEL    8
    1    H    GLU   1           H        GLU   1   1.354 -12.582  11.996
    2    HA   GLU   1           HA       GLU   1   1.975 -11.327  10.061
    3   1HB   GLU   1          1HB       GLU   1   1.434 -14.289   9.788
    4   2HB   GLU   1          2HB       GLU   1   2.077 -13.410   8.416
    5   1HG   GLU   1          1HG       GLU   1   3.952 -12.559   9.877
    6   2HG   GLU   1          2HG       GLU   1   3.325 -13.518  11.203
    7    H    ASN   2           H        ASN   2  -0.086  -9.933   9.879
    8    HA   ASN   2           HA       ASN   2  -1.156 -10.424   7.284
    9   1HB   ASN   2          1HB       ASN   2  -2.657 -11.513   9.283
   10   2HB   ASN   2          2HB       ASN   2  -3.267  -9.872   9.368
   11   1HD2  ASN   2          2HD2      ASN   2  -5.034 -11.702   8.737
   12   2HD2  ASN   2          1HD2      ASN   2  -5.472 -11.685   7.061
   13    H    PHE   3           H        PHE   3  -2.767  -8.446   6.774
   14    HA   PHE   3           HA       PHE   3  -1.433  -6.081   7.779
   15   1HB   PHE   3          1HB       PHE   3  -2.444  -6.977   5.323
   16   2HB   PHE   3          2HB       PHE   3  -3.748  -5.941   5.868
   17    HD1  PHE   3           HD1      PHE   3  -2.751  -3.611   6.931
   18    HD2  PHE   3           HD2      PHE   3  -0.940  -5.975   3.907
   19    HE1  PHE   3           HE1      PHE   3  -1.496  -1.598   6.109
   20    HE2  PHE   3           HE2      PHE   3   0.315  -3.963   3.086
   21    HZ   PHE   3           HZ       PHE   3   0.022  -1.799   4.196
   22    H    ASN   4           H        ASN   4  -2.831  -7.176   9.875
   23    HA   ASN   4           HA       ASN   4  -4.469  -5.095  10.608
   24   1HB   ASN   4          1HB       ASN   4  -5.889  -6.766   8.903
   25   2HB   ASN   4          2HB       ASN   4  -6.273  -7.476  10.458
   26   1HD2  ASN   4          2HD2      ASN   4  -6.710  -5.751  12.220
   27   2HD2  ASN   4          1HD2      ASN   4  -7.827  -4.498  11.796
   28    H    GLY   5           H        GLY   5  -2.276  -6.686  11.618
   29   1HA   GLY   5          1HA       GLY   5  -3.557  -8.110  13.876
   30   2HA   GLY   5          2HA       GLY   5  -2.052  -8.610  13.129
   31    H    GLY   6           H        GLY   6  -3.124  -5.234  13.844
   32   1HA   GLY   6          1HA       GLY   6  -1.507  -5.008  16.198
   33   2HA   GLY   6          2HA       GLY   6  -0.736  -4.299  14.794
   34    H    CYS   7           H        CYS   7  -2.726  -3.142  13.317
   35    HA   CYS   7           HA       CYS   7  -3.206  -0.787  14.613
   36   1HB   CYS   7          1HB       CYS   7  -4.611  -2.082  12.277
   37   2HB   CYS   7          2HB       CYS   7  -5.011  -0.470  12.837
   38    H    LEU   8           H        LEU   8  -5.686   0.071  14.840
   39    HA   LEU   8           HA       LEU   8  -6.802  -1.576  16.913
   40   1HB   LEU   8          1HB       LEU   8  -6.641   0.762  17.307
   41   2HB   LEU   8          2HB       LEU   8  -7.455   1.149  15.804
   42    HG   LEU   8           HG       LEU   8  -9.550   0.191  16.681
   43   1HD1  LEU   8          1HD1      LEU   8  -7.787  -0.889  18.694
   44   2HD1  LEU   8          2HD1      LEU   8  -9.096   0.052  19.449
   45   3HD1  LEU   8          3HD1      LEU   8  -9.487  -1.283  18.338
   46   1HD2  LEU   8          1HD2      LEU   8  -8.173   2.405  18.182
   47   2HD2  LEU   8          2HD2      LEU   8  -9.455   2.497  16.951
   48   3HD2  LEU   8          3HD2      LEU   8  -9.836   1.915  18.589
   49    H    ALA   9           H        ALA   9  -7.972  -0.177  13.769
   50    HA   ALA   9           HA       ALA   9  -9.033  -2.354  12.658
   51   1HB   ALA   9          1HB       ALA   9 -10.607  -1.585  15.043
   52   2HB   ALA   9          2HB       ALA   9 -11.571  -1.803  13.562
   53   3HB   ALA   9          3HB       ALA   9 -10.547  -3.130  14.160
   54    H    GLY  10           H        GLY  10  -8.816  -1.306  10.719
   55   1HA   GLY  10          1HA       GLY  10 -10.175  -0.108   9.117
   56   2HA   GLY  10          2HA       GLY  10 -10.492   1.102  10.345
   57    H    TYR  11           H        TYR  11  -7.737   1.135  11.448
   58    HA   TYR  11           HA       TYR  11  -6.656   3.110   9.787
   59   1HB   TYR  11          1HB       TYR  11  -5.542   1.261  11.986
   60   2HB   TYR  11          2HB       TYR  11  -4.656   2.650  11.387
   61    HD1  TYR  11           HD1      TYR  11  -5.877   4.967  11.555
   62    HD2  TYR  11           HD2      TYR  11  -6.987   1.505  13.809
   63    HE1  TYR  11           HE1      TYR  11  -7.054   6.444  13.257
   64    HE2  TYR  11           HE2      TYR  11  -8.160   2.993  15.504
   65    HH   TYR  11           HH       TYR  11  -8.987   5.046  15.825
   66    H    MET  12           H        MET  12  -4.535   3.109   8.689
   67    HA   MET  12           HA       MET  12  -4.025   0.478   7.533
   68   1HB   MET  12          1HB       MET  12  -3.160   1.836   5.547
   69   2HB   MET  12          2HB       MET  12  -4.873   2.047   5.852
   70   1HG   MET  12          1HG       MET  12  -4.433   4.165   7.065
   71   2HG   MET  12          2HG       MET  12  -2.705   3.939   6.883
   72   1HE   MET  12          1HE       MET  12  -1.941   5.902   5.584
   73   2HE   MET  12          2HE       MET  12  -2.882   6.701   4.301
   74   3HE   MET  12          3HE       MET  12  -3.528   6.613   5.958
   75    H    ARG  13           H        ARG  13  -1.672   0.287   6.631
   76    HA   ARG  13           HA       ARG  13   0.049   1.320   8.725
   77   1HB   ARG  13          1HB       ARG  13   0.431  -1.018   6.787
   78   2HB   ARG  13          2HB       ARG  13   1.616  -0.532   7.983
   79   1HG   ARG  13          1HG       ARG  13  -0.948  -0.800   9.302
   80   2HG   ARG  13          2HG       ARG  13  -0.670  -2.241   8.343
   81   1HD   ARG  13          1HD       ARG  13   1.817  -1.939   9.466
   82   2HD   ARG  13          2HD       ARG  13   0.831  -1.228  10.728
   83    HE   ARG  13           HE       ARG  13  -0.419  -3.662   9.933
   84   1HH1  ARG  13          1HH1      ARG  13   2.527  -2.582  11.525
   85   2HH1  ARG  13          2HH1      ARG  13   2.706  -4.031  12.458
   86   1HH2  ARG  13          1HH2      ARG  13  -0.184  -5.573  11.163
   87   2HH2  ARG  13          2HH2      ARG  13   1.153  -5.743  12.250
   88    H    THR  14           H        THR  14   1.076   3.201   8.085
   89    HA   THR  14           HA       THR  14   1.450   3.878   5.367
   90    HB   THR  14           HB       THR  14   2.699   5.800   6.401
   91    HG1  THR  14           HG1      THR  14   3.478   5.432   8.453
   92   1HG2  THR  14          1HG2      THR  14  -0.018   5.022   7.073
   93   2HG2  THR  14          2HG2      THR  14   0.735   5.776   8.498
   94   3HG2  THR  14          3HG2      THR  14   0.660   6.664   6.958
   95    H    ALA  15           H        ALA  15   4.102   4.932   5.361
   96    HA   ALA  15           HA       ALA  15   5.490   2.442   4.798
   97   1HB   ALA  15          1HB       ALA  15   5.239   4.780   3.410
   98   2HB   ALA  15          2HB       ALA  15   6.780   5.063   4.253
   99   3HB   ALA  15          3HB       ALA  15   6.589   3.639   3.202
  100    H    ASP  16           H        ASP  16   4.941   4.066   7.541
  101    HA   ASP  16           HA       ASP  16   7.730   3.931   8.375
  102   1HB   ASP  16          1HB       ASP  16   5.466   5.753   9.014
  103   2HB   ASP  16          2HB       ASP  16   6.361   5.221  10.424
  104    H    GLY  17           H        GLY  17   4.489   2.650   8.641
  105   1HA   GLY  17          1HA       GLY  17   4.057   0.571   9.629
  106   2HA   GLY  17          2HA       GLY  17   5.361   0.827  10.771
  107    H    ARG  18           H        ARG  18   3.799   3.791  10.525
  108    HA   ARG  18           HA       ARG  18   2.557   3.360  13.046
  109   1HB   ARG  18          1HB       ARG  18   2.501   5.867  11.295
  110   2HB   ARG  18          2HB       ARG  18   2.163   5.794  13.013
  111   1HG   ARG  18          1HG       ARG  18   4.829   4.755  12.048
  112   2HG   ARG  18          2HG       ARG  18   4.587   6.491  12.086
  113   1HD   ARG  18          1HD       ARG  18   4.390   6.561  14.422
  114   2HD   ARG  18          2HD       ARG  18   3.773   4.925  14.531
  115    HE   ARG  18           HE       ARG  18   6.597   5.731  14.450
  116   1HH1  ARG  18          1HH1      ARG  18   4.319   3.087  14.002
  117   2HH1  ARG  18          2HH1      ARG  18   5.507   1.851  14.250
  118   1HH2  ARG  18          1HH2      ARG  18   8.165   4.101  14.777
  119   2HH2  ARG  18          2HH2      ARG  18   7.710   2.432  14.694
  120    H    CYS  19           H        CYS  19   0.507   2.494  13.170
  121    HA   CYS  19           HA       CYS  19  -1.178   2.173  11.033
  122   1HB   CYS  19          1HB       CYS  19  -1.770   2.297  13.993
  123   2HB   CYS  19          2HB       CYS  19  -2.967   1.855  12.791
  124    H    LYS  20           H        LYS  20  -1.865   3.879   9.757
  125    HA   LYS  20           HA       LYS  20  -2.701   6.321  11.138
  126   1HB   LYS  20          1HB       LYS  20  -1.261   5.765   8.683
  127   2HB   LYS  20          2HB       LYS  20  -2.675   6.746   8.357
  128   1HG   LYS  20          1HG       LYS  20  -1.969   8.289  10.250
  129   2HG   LYS  20          2HG       LYS  20  -0.499   7.349  10.414
  130   1HD   LYS  20          1HD       LYS  20  -0.719   7.951   7.635
  131   2HD   LYS  20          2HD       LYS  20  -1.136   9.433   8.473
  132   1HE   LYS  20          1HE       LYS  20   0.970   9.582   9.548
  133   2HE   LYS  20          2HE       LYS  20   1.296   7.869   9.376
  134   1HZ   LYS  20          1HZ       LYS  20   1.004   9.483   6.975
  135   2HZ   LYS  20          2HZ       LYS  20   2.404   9.564   7.812
  136   3HZ   LYS  20          3HZ       LYS  20   1.894   8.134   7.210
  137    HA   PRO  21           HA       PRO  21  -6.823   5.734   9.991
  138   1HB   PRO  21          1HB       PRO  21  -7.699   8.179   9.138
  139   2HB   PRO  21          2HB       PRO  21  -7.495   7.771  10.830
  140   1HG   PRO  21          1HG       PRO  21  -5.788   9.468   9.114
  141   2HG   PRO  21          2HG       PRO  21  -5.852   9.389  10.864
  142   1HD   PRO  21          1HD       PRO  21  -3.847   8.238   9.166
  143   2HD   PRO  21          2HD       PRO  21  -3.974   8.062  10.905
  144    H    THR  22           H        THR  22  -8.278   5.028   8.446
  145    HA   THR  22           HA       THR  22  -7.144   5.255   5.740
  146    HB   THR  22           HB       THR  22  -9.107   3.185   6.844
  147    HG1  THR  22           HG1      THR  22  -6.186   3.343   6.601
  148   1HG2  THR  22          1HG2      THR  22  -8.273   3.669   4.223
  149   2HG2  THR  22          2HG2      THR  22  -7.083   2.474   4.793
  150   3HG2  THR  22          3HG2      THR  22  -8.821   2.092   4.840
  151    H    PHE  23           H        PHE  23  -9.189   6.958   7.552
  152    HA   PHE  23           HA       PHE  23 -11.663   6.977   6.606
  153   1HB   PHE  23          1HB       PHE  23  -9.809   9.431   6.663
  154   2HB   PHE  23          2HB       PHE  23 -11.539   9.450   6.943
  155    HD1  PHE  23           HD1      PHE  23 -11.626   6.965   8.733
  156    HD2  PHE  23           HD2      PHE  23  -9.118  10.387   8.718
  157    HE1  PHE  23           HE1      PHE  23 -11.232   6.687  11.196
  158    HE2  PHE  23           HE2      PHE  23  -8.724  10.110  11.180
  159    HZ   PHE  23           HZ       PHE  23  -9.785   8.263  12.390
  Start of MODEL    9
    1    H    GLU   1           H        GLU   1  -7.870 -11.037  25.213
    2    HA   GLU   1           HA       GLU   1  -8.651  -9.149  23.976
    3   1HB   GLU   1          1HB       GLU   1  -5.720  -9.851  23.968
    4   2HB   GLU   1          2HB       GLU   1  -6.223  -8.391  23.139
    5   1HG   GLU   1          1HG       GLU   1  -7.565  -7.889  25.363
    6   2HG   GLU   1          2HG       GLU   1  -6.496  -9.079  26.081
    7    H    ASN   2           H        ASN   2  -8.404  -7.888  21.866
    8    HA   ASN   2           HA       ASN   2  -8.760  -9.779  19.714
    9   1HB   ASN   2          1HB       ASN   2 -10.121  -7.451  20.449
   10   2HB   ASN   2          2HB       ASN   2  -9.107  -6.877  19.140
   11   1HD2  ASN   2          2HD2      ASN   2 -11.998  -8.261  19.931
   12   2HD2  ASN   2          1HD2      ASN   2 -12.464  -8.948  18.410
   13    H    PHE   3           H        PHE   3  -7.806  -9.058  17.489
   14    HA   PHE   3           HA       PHE   3  -5.638  -7.228  17.510
   15   1HB   PHE   3          1HB       PHE   3  -5.109  -9.787  18.521
   16   2HB   PHE   3          2HB       PHE   3  -4.749 -10.013  16.821
   17    HD1  PHE   3           HD1      PHE   3  -4.088  -7.387  19.407
   18    HD2  PHE   3           HD2      PHE   3  -2.531  -9.794  16.277
   19    HE1  PHE   3           HE1      PHE   3  -1.819  -6.370  19.753
   20    HE2  PHE   3           HE2      PHE   3  -0.263  -8.776  16.623
   21    HZ   PHE   3           HZ       PHE   3   0.066  -7.078  18.357
   22    H    ASN   4           H        ASN   4  -4.727  -6.924  15.355
   23    HA   ASN   4           HA       ASN   4  -5.827  -8.539  13.269
   24   1HB   ASN   4          1HB       ASN   4  -7.630  -6.854  13.591
   25   2HB   ASN   4          2HB       ASN   4  -6.464  -5.550  13.490
   26   1HD2  ASN   4          2HD2      ASN   4  -6.318  -4.575  11.629
   27   2HD2  ASN   4          1HD2      ASN   4  -6.665  -5.231  10.063
   28    H    GLY   5           H        GLY   5  -3.163  -8.177  14.216
   29   1HA   GLY   5          1HA       GLY   5  -1.244  -8.060  12.834
   30   2HA   GLY   5          2HA       GLY   5  -1.955  -6.721  11.956
   31    H    GLY   6           H        GLY   6  -2.951  -5.238  14.287
   32   1HA   GLY   6          1HA       GLY   6  -1.302  -4.732  16.353
   33   2HA   GLY   6          2HA       GLY   6  -0.465  -3.950  15.026
   34    H    CYS   7           H        CYS   7  -2.566  -2.990  13.425
   35    HA   CYS   7           HA       CYS   7  -3.184  -0.624  14.654
   36   1HB   CYS   7          1HB       CYS   7  -4.564  -2.042  12.369
   37   2HB   CYS   7          2HB       CYS   7  -4.932  -0.399  12.855
   38    H    LEU   8           H        LEU   8  -5.728   0.078  14.812
   39    HA   LEU   8           HA       LEU   8  -6.766  -1.598  16.914
   40   1HB   LEU   8          1HB       LEU   8  -6.715   0.746  17.303
   41   2HB   LEU   8          2HB       LEU   8  -7.531   1.091  15.791
   42    HG   LEU   8           HG       LEU   8  -9.584   0.003  16.663
   43   1HD1  LEU   8          1HD1      LEU   8  -8.137  -1.384  18.357
   44   2HD1  LEU   8          2HD1      LEU   8  -8.428   0.008  19.426
   45   3HD1  LEU   8          3HD1      LEU   8  -9.803  -0.906  18.761
   46   1HD2  LEU   8          1HD2      LEU   8  -8.385   2.335  18.155
   47   2HD2  LEU   8          2HD2      LEU   8  -9.570   2.343  16.827
   48   3HD2  LEU   8          3HD2      LEU   8 -10.050   1.776  18.446
   49    H    ALA   9           H        ALA   9  -7.967  -0.270  13.751
   50    HA   ALA   9           HA       ALA   9  -8.925  -2.508  12.658
   51   1HB   ALA   9          1HB       ALA   9 -10.626  -1.683  14.962
   52   2HB   ALA   9          2HB       ALA   9 -11.484  -2.124  13.466
   53   3HB   ALA   9          3HB       ALA   9 -10.382  -3.290  14.237
   54    H    GLY  10           H        GLY  10  -8.689  -1.468  10.712
   55   1HA   GLY  10          1HA       GLY  10 -10.080  -0.349   9.068
   56   2HA   GLY  10          2HA       GLY  10 -10.444   0.873  10.271
   57    H    TYR  11           H        TYR  11  -7.804   1.173  11.430
   58    HA   TYR  11           HA       TYR  11  -6.736   3.102   9.771
   59   1HB   TYR  11          1HB       TYR  11  -5.567   1.261  11.948
   60   2HB   TYR  11          2HB       TYR  11  -4.706   2.667  11.352
   61    HD1  TYR  11           HD1      TYR  11  -5.926   4.967  11.560
   62    HD2  TYR  11           HD2      TYR  11  -7.045   1.470  13.756
   63    HE1  TYR  11           HE1      TYR  11  -7.118   6.416  13.276
   64    HE2  TYR  11           HE2      TYR  11  -8.233   2.931  15.464
   65    HH   TYR  11           HH       TYR  11  -8.509   6.418  14.970
   66    H    MET  12           H        MET  12  -4.600   3.178   8.686
   67    HA   MET  12           HA       MET  12  -4.059   0.594   7.443
   68   1HB   MET  12          1HB       MET  12  -3.134   2.061   5.546
   69   2HB   MET  12          2HB       MET  12  -4.860   2.217   5.805
   70   1HG   MET  12          1HG       MET  12  -4.675   4.417   6.384
   71   2HG   MET  12          2HG       MET  12  -3.366   4.095   7.502
   72   1HE   MET  12          1HE       MET  12  -4.164   6.293   4.950
   73   2HE   MET  12          2HE       MET  12  -3.002   6.736   6.223
   74   3HE   MET  12          3HE       MET  12  -2.523   6.825   4.512
   75    H    ARG  13           H        ARG  13  -1.708   0.357   6.632
   76    HA   ARG  13           HA       ARG  13  -0.006   1.376   8.750
   77   1HB   ARG  13          1HB       ARG  13   0.325  -1.017   6.873
   78   2HB   ARG  13          2HB       ARG  13   1.537  -0.525   8.039
   79   1HG   ARG  13          1HG       ARG  13  -1.232  -0.864   9.125
   80   2HG   ARG  13          2HG       ARG  13  -0.450  -2.335   8.580
   81   1HD   ARG  13          1HD       ARG  13   1.612  -1.169   9.993
   82   2HD   ARG  13          2HD       ARG  13   0.231  -0.572  10.893
   83    HE   ARG  13           HE       ARG  13  -0.414  -3.206  10.682
   84   1HH1  ARG  13          1HH1      ARG  13   2.615  -1.647  11.564
   85   2HH1  ARG  13          2HH1      ARG  13   3.133  -2.946  12.588
   86   1HH2  ARG  13          1HH2      ARG  13   0.268  -4.919  12.032
   87   2HH2  ARG  13          2HH2      ARG  13   1.789  -4.819  12.855
   88    H    THR  14           H        THR  14   1.073   3.223   8.094
   89    HA   THR  14           HA       THR  14   1.522   3.831   5.368
   90    HB   THR  14           HB       THR  14   2.985   5.656   6.533
   91    HG1  THR  14           HG1      THR  14   3.256   4.180   8.442
   92   1HG2  THR  14          1HG2      THR  14   0.089   5.258   6.573
   93   2HG2  THR  14          2HG2      THR  14   0.614   6.077   8.064
   94   3HG2  THR  14          3HG2      THR  14   0.999   6.786   6.478
   95    H    ALA  15           H        ALA  15   4.130   4.785   5.215
   96    HA   ALA  15           HA       ALA  15   5.496   2.269   4.815
   97   1HB   ALA  15          1HB       ALA  15   5.685   5.079   3.844
   98   2HB   ALA  15          2HB       ALA  15   7.220   4.183   3.953
   99   3HB   ALA  15          3HB       ALA  15   5.886   3.546   2.961
  100    H    ASP  16           H        ASP  16   4.949   3.963   7.508
  101    HA   ASP  16           HA       ASP  16   7.729   3.813   8.372
  102   1HB   ASP  16          1HB       ASP  16   5.585   5.758   8.809
  103   2HB   ASP  16          2HB       ASP  16   6.165   5.144  10.345
  104    H    GLY  17           H        GLY  17   4.458   2.597   8.650
  105   1HA   GLY  17          1HA       GLY  17   3.995   0.537   9.673
  106   2HA   GLY  17          2HA       GLY  17   5.294   0.801  10.820
  107    H    ARG  18           H        ARG  18   3.803   3.785  10.524
  108    HA   ARG  18           HA       ARG  18   2.529   3.426  13.034
  109   1HB   ARG  18          1HB       ARG  18   2.480   5.893  11.228
  110   2HB   ARG  18          2HB       ARG  18   2.177   5.857  12.953
  111   1HG   ARG  18          1HG       ARG  18   4.825   4.882  11.821
  112   2HG   ARG  18          2HG       ARG  18   4.550   6.588  12.116
  113   1HD   ARG  18          1HD       ARG  18   4.146   6.193  14.493
  114   2HD   ARG  18          2HD       ARG  18   4.120   4.457  14.260
  115    HE   ARG  18           HE       ARG  18   6.621   5.721  13.385
  116   1HH1  ARG  18          1HH1      ARG  18   4.899   4.271  16.089
  117   2HH1  ARG  18          2HH1      ARG  18   6.342   3.874  16.961
  118   1HH2  ARG  18          1HH2      ARG  18   8.525   5.198  14.535
  119   2HH2  ARG  18          2HH2      ARG  18   8.419   4.405  16.071
  120    H    CYS  19           H        CYS  19   0.476   2.574  13.166
  121    HA   CYS  19           HA       CYS  19  -1.206   2.254  11.012
  122   1HB   CYS  19          1HB       CYS  19  -1.824   2.354  13.969
  123   2HB   CYS  19          2HB       CYS  19  -2.982   1.871  12.745
  124    H    LYS  20           H        LYS  20  -1.918   3.969   9.765
  125    HA   LYS  20           HA       LYS  20  -2.757   6.387  11.189
  126   1HB   LYS  20          1HB       LYS  20  -1.233   5.917   8.799
  127   2HB   LYS  20          2HB       LYS  20  -2.694   6.786   8.372
  128   1HG   LYS  20          1HG       LYS  20  -1.256   8.548   8.954
  129   2HG   LYS  20          2HG       LYS  20  -2.128   8.301  10.454
  130   1HD   LYS  20          1HD       LYS  20  -0.277   6.873  11.315
  131   2HD   LYS  20          2HD       LYS  20   0.589   7.062   9.803
  132   1HE   LYS  20          1HE       LYS  20   0.979   9.399  10.180
  133   2HE   LYS  20          2HE       LYS  20  -0.251   9.494  11.424
  134   1HZ   LYS  20          1HZ       LYS  20   1.679   7.567  12.096
  135   2HZ   LYS  20          2HZ       LYS  20   2.405   8.997  11.789
  136   3HZ   LYS  20          3HZ       LYS  20   1.232   8.904  12.921
  137    HA   PRO  21           HA       PRO  21  -6.869   5.805  10.005
  138   1HB   PRO  21          1HB       PRO  21  -7.753   8.265   9.207
  139   2HB   PRO  21          2HB       PRO  21  -7.557   7.817  10.889
  140   1HG   PRO  21          1HG       PRO  21  -5.849   9.564   9.225
  141   2HG   PRO  21          2HG       PRO  21  -5.923   9.443  10.972
  142   1HD   PRO  21          1HD       PRO  21  -3.901   8.344   9.259
  143   2HD   PRO  21          2HD       PRO  21  -4.038   8.125  10.991
  144    H    THR  22           H        THR  22  -8.320   5.142   8.434
  145    HA   THR  22           HA       THR  22  -7.141   5.371   5.752
  146    HB   THR  22           HB       THR  22  -9.291   3.424   6.705
  147    HG1  THR  22           HG1      THR  22  -6.362   3.458   6.845
  148   1HG2  THR  22          1HG2      THR  22  -8.618   3.638   4.206
  149   2HG2  THR  22          2HG2      THR  22  -7.016   3.046   4.703
  150   3HG2  THR  22          3HG2      THR  22  -8.452   2.019   4.927
  151    H    PHE  23           H        PHE  23  -9.131   7.169   7.540
  152    HA   PHE  23           HA       PHE  23 -11.128   7.430   5.410
  153   1HB   PHE  23          1HB       PHE  23 -12.351   8.690   7.285
  154   2HB   PHE  23          2HB       PHE  23 -12.052   7.003   7.655
  155    HD1  PHE  23           HD1      PHE  23 -10.731  10.424   8.232
  156    HD2  PHE  23           HD2      PHE  23 -10.848   6.401   9.575
  157    HE1  PHE  23           HE1      PHE  23  -9.561  11.097  10.348
  158    HE2  PHE  23           HE2      PHE  23  -9.678   7.073  11.692
  159    HZ   PHE  23           HZ       PHE  23  -9.048   9.413  12.053
  Start of MODEL   10
    1    H    GLU   1           H        GLU   1   1.411  -4.901  19.661
    2    HA   GLU   1           HA       GLU   1   0.287  -6.914  20.285
    3   1HB   GLU   1          1HB       GLU   1  -0.856  -4.215  20.685
    4   2HB   GLU   1          2HB       GLU   1  -2.020  -5.499  20.942
    5   1HG   GLU   1          1HG       GLU   1  -0.462  -6.618  22.531
    6   2HG   GLU   1          2HG       GLU   1   0.740  -5.375  22.248
    7    H    ASN   2           H        ASN   2  -1.945  -4.798  18.329
    8    HA   ASN   2           HA       ASN   2  -3.717  -6.873  17.816
    9   1HB   ASN   2          1HB       ASN   2  -3.183  -4.286  16.263
   10   2HB   ASN   2          2HB       ASN   2  -4.582  -5.310  16.008
   11   1HD2  ASN   2          2HD2      ASN   2  -6.091  -5.616  17.709
   12   2HD2  ASN   2          1HD2      ASN   2  -6.308  -4.430  18.953
   13    H    PHE   3           H        PHE   3  -4.237  -7.242  15.202
   14    HA   PHE   3           HA       PHE   3  -1.725  -8.290  14.142
   15   1HB   PHE   3          1HB       PHE   3  -4.363  -9.279  14.511
   16   2HB   PHE   3          2HB       PHE   3  -4.311  -8.912  12.799
   17    HD1  PHE   3           HD1      PHE   3  -2.467 -10.764  15.446
   18    HD2  PHE   3           HD2      PHE   3  -3.351 -10.428  11.309
   19    HE1  PHE   3           HE1      PHE   3  -1.287 -12.937  15.017
   20    HE2  PHE   3           HE2      PHE   3  -2.171 -12.601  10.881
   21    HZ   PHE   3           HZ       PHE   3  -1.154 -13.830  12.740
   22    H    ASN   4           H        ASN   4  -1.927  -8.464  11.533
   23    HA   ASN   4           HA       ASN   4  -1.841  -7.414   9.641
   24   1HB   ASN   4          1HB       ASN   4  -4.300  -7.108   9.871
   25   2HB   ASN   4          2HB       ASN   4  -4.057  -5.658  10.823
   26   1HD2  ASN   4          1HD2      ASN   4  -4.376  -3.870   9.765
   27   2HD2  ASN   4          2HD2      ASN   4  -4.052  -3.556   8.093
   28    H    GLY   5           H        GLY   5   0.034  -6.650  11.639
   29   1HA   GLY   5          1HA       GLY   5   1.716  -5.007  11.357
   30   2HA   GLY   5          2HA       GLY   5   0.493  -3.825  10.936
   31    H    GLY   6           H        GLY   6  -1.428  -4.512  13.048
   32   1HA   GLY   6          1HA       GLY   6  -1.352  -4.677  15.466
   33   2HA   GLY   6          2HA       GLY   6   0.109  -3.708  15.445
   34    H    CYS   7           H        CYS   7  -3.084  -3.384  13.730
   35    HA   CYS   7           HA       CYS   7  -3.137  -0.624  14.679
   36   1HB   CYS   7          1HB       CYS   7  -4.534  -1.979  12.367
   37   2HB   CYS   7          2HB       CYS   7  -4.894  -0.348  12.894
   38    H    LEU   8           H        LEU   8  -5.763   0.028  14.717
   39    HA   LEU   8           HA       LEU   8  -6.779  -1.658  16.842
   40   1HB   LEU   8          1HB       LEU   8  -6.726   0.678  17.272
   41   2HB   LEU   8          2HB       LEU   8  -7.537   1.052  15.764
   42    HG   LEU   8           HG       LEU   8  -9.593  -0.054  16.610
   43   1HD1  LEU   8          1HD1      LEU   8  -8.291  -1.542  18.231
   44   2HD1  LEU   8          2HD1      LEU   8  -8.290  -0.142  19.331
   45   3HD1  LEU   8          3HD1      LEU   8  -9.831  -0.858  18.802
   46   1HD2  LEU   8          1HD2      LEU   8  -8.369   2.309  17.990
   47   2HD2  LEU   8          2HD2      LEU   8  -9.730   2.229  16.846
   48   3HD2  LEU   8          3HD2      LEU   8  -9.951   1.696  18.529
   49    H    ALA   9           H        ALA   9  -7.965  -0.268  13.700
   50    HA   ALA   9           HA       ALA   9  -8.916  -2.475  12.549
   51   1HB   ALA   9          1HB       ALA   9 -10.701  -1.646  14.819
   52   2HB   ALA   9          2HB       ALA   9 -11.455  -2.240  13.320
   53   3HB   ALA   9          3HB       ALA   9 -10.313  -3.274  14.212
   54    H    GLY  10           H        GLY  10  -8.617  -1.327  10.661
   55   1HA   GLY  10          1HA       GLY  10 -10.037  -0.186   9.036
   56   2HA   GLY  10          2HA       GLY  10 -10.407   0.998  10.274
   57    H    TYR  11           H        TYR  11  -7.697   1.149  11.425
   58    HA   TYR  11           HA       TYR  11  -6.647   3.158   9.798
   59   1HB   TYR  11          1HB       TYR  11  -5.494   1.322  11.989
   60   2HB   TYR  11          2HB       TYR  11  -4.662   2.759  11.425
   61    HD1  TYR  11           HD1      TYR  11  -5.917   5.023  11.659
   62    HD2  TYR  11           HD2      TYR  11  -7.044   1.464  13.748
   63    HE1  TYR  11           HE1      TYR  11  -7.182   6.417  13.368
   64    HE2  TYR  11           HE2      TYR  11  -8.304   2.870  15.450
   65    HH   TYR  11           HH       TYR  11  -9.167   4.889  15.827
   66    H    MET  12           H        MET  12  -4.525   3.241   8.718
   67    HA   MET  12           HA       MET  12  -3.909   0.642   7.544
   68   1HB   MET  12          1HB       MET  12  -2.916   2.245   5.680
   69   2HB   MET  12          2HB       MET  12  -4.652   2.019   5.754
   70   1HG   MET  12          1HG       MET  12  -5.040   4.153   6.658
   71   2HG   MET  12          2HG       MET  12  -3.459   4.243   7.410
   72   1HE   MET  12          1HE       MET  12  -3.917   6.784   6.329
   73   2HE   MET  12          2HE       MET  12  -2.236   6.273   6.612
   74   3HE   MET  12          3HE       MET  12  -2.672   7.103   5.098
   75    H    ARG  13           H        ARG  13  -1.588   0.308   6.890
   76    HA   ARG  13           HA       ARG  13   0.087   1.512   8.918
   77   1HB   ARG  13          1HB       ARG  13   1.653  -0.379   8.409
   78   2HB   ARG  13          2HB       ARG  13   0.059  -0.953   8.857
   79   1HG   ARG  13          1HG       ARG  13  -0.035  -2.102   6.907
   80   2HG   ARG  13          2HG       ARG  13  -0.060  -0.578   6.043
   81   1HD   ARG  13          1HD       ARG  13   2.390  -0.542   5.900
   82   2HD   ARG  13          2HD       ARG  13   2.521  -1.934   6.956
   83    HE   ARG  13           HE       ARG  13   0.984  -2.968   4.967
   84   1HH1  ARG  13          1HH1      ARG  13   3.909  -1.017   4.824
   85   2HH1  ARG  13          2HH1      ARG  13   4.441  -1.695   3.322
   86   1HH2  ARG  13          1HH2      ARG  13   1.686  -3.863   2.985
   87   2HH2  ARG  13          2HH2      ARG  13   3.168  -3.324   2.268
   88    H    THR  14           H        THR  14   1.075   3.380   8.171
   89    HA   THR  14           HA       THR  14   1.507   3.946   5.464
   90    HB   THR  14           HB       THR  14   2.889   5.820   6.456
   91    HG1  THR  14           HG1      THR  14   3.015   5.675   8.855
   92   1HG2  THR  14          1HG2      THR  14   0.262   5.777   6.575
   93   2HG2  THR  14          2HG2      THR  14   0.501   5.351   8.287
   94   3HG2  THR  14          3HG2      THR  14   1.126   6.894   7.660
   95    H    ALA  15           H        ALA  15   4.178   4.880   5.336
   96    HA   ALA  15           HA       ALA  15   5.447   2.357   4.740
   97   1HB   ALA  15          1HB       ALA  15   5.391   4.888   3.579
   98   2HB   ALA  15          2HB       ALA  15   7.005   4.811   4.324
   99   3HB   ALA  15          3HB       ALA  15   6.505   3.566   3.154
  100    H    ASP  16           H        ASP  16   4.992   3.942   7.554
  101    HA   ASP  16           HA       ASP  16   7.735   3.449   8.414
  102   1HB   ASP  16          1HB       ASP  16   6.820   5.835   8.604
  103   2HB   ASP  16          2HB       ASP  16   5.652   5.229   9.760
  104    H    GLY  17           H        GLY  17   4.484   2.399   8.450
  105   1HA   GLY  17          1HA       GLY  17   3.761   0.456   9.490
  106   2HA   GLY  17          2HA       GLY  17   4.999   0.627  10.718
  107    H    ARG  18           H        ARG  18   3.929   3.722  10.500
  108    HA   ARG  18           HA       ARG  18   2.537   3.565  12.892
  109   1HB   ARG  18          1HB       ARG  18   2.617   5.814  10.817
  110   2HB   ARG  18          2HB       ARG  18   2.038   6.002  12.460
  111   1HG   ARG  18          1HG       ARG  18   4.785   4.822  12.085
  112   2HG   ARG  18          2HG       ARG  18   4.594   6.536  11.770
  113   1HD   ARG  18          1HD       ARG  18   3.201   6.195  14.177
  114   2HD   ARG  18          2HD       ARG  18   4.546   5.085  14.351
  115    HE   ARG  18           HE       ARG  18   6.038   6.906  14.401
  116   1HH1  ARG  18          1HH1      ARG  18   2.859   7.995  13.355
  117   2HH1  ARG  18          2HH1      ARG  18   3.258   9.677  13.466
  118   1HH2  ARG  18          1HH2      ARG  18   6.565   9.125  14.547
  119   2HH2  ARG  18          2HH2      ARG  18   5.380  10.324  14.148
  120    H    CYS  19           H        CYS  19   0.479   2.753  13.159
  121    HA   CYS  19           HA       CYS  19  -1.242   2.295  11.022
  122   1HB   CYS  19          1HB       CYS  19  -1.748   2.408  14.000
  123   2HB   CYS  19          2HB       CYS  19  -2.953   1.908  12.830
  124    H    LYS  20           H        LYS  20  -1.884   4.057   9.775
  125    HA   LYS  20           HA       LYS  20  -2.802   6.434  11.209
  126   1HB   LYS  20          1HB       LYS  20  -1.334   5.972   8.760
  127   2HB   LYS  20          2HB       LYS  20  -2.786   6.893   8.423
  128   1HG   LYS  20          1HG       LYS  20  -1.206   8.564   8.988
  129   2HG   LYS  20          2HG       LYS  20  -2.124   8.366  10.468
  130   1HD   LYS  20          1HD       LYS  20   0.190   6.515  10.247
  131   2HD   LYS  20          2HD       LYS  20   0.644   8.208  10.268
  132   1HE   LYS  20          1HE       LYS  20  -1.426   7.423  12.280
  133   2HE   LYS  20          2HE       LYS  20   0.160   6.720  12.529
  134   1HZ   LYS  20          1HZ       LYS  20   1.047   9.006  12.300
  135   2HZ   LYS  20          2HZ       LYS  20  -0.484   9.574  12.312
  136   3HZ   LYS  20          3HZ       LYS  20   0.105   8.785  13.615
  137    HA   PRO  21           HA       PRO  21  -6.911   5.799  10.027
  138   1HB   PRO  21          1HB       PRO  21  -7.820   8.214   9.123
  139   2HB   PRO  21          2HB       PRO  21  -7.620   7.840  10.823
  140   1HG   PRO  21          1HG       PRO  21  -5.929   9.532   9.086
  141   2HG   PRO  21          2HG       PRO  21  -6.002   9.484  10.836
  142   1HD   PRO  21          1HD       PRO  21  -3.970   8.334   9.171
  143   2HD   PRO  21          2HD       PRO  21  -4.104   8.187  10.912
  144    H    THR  22           H        THR  22  -8.329   5.018   8.490
  145    HA   THR  22           HA       THR  22  -7.233   5.302   5.771
  146    HB   THR  22           HB       THR  22  -8.982   3.048   6.863
  147    HG1  THR  22           HG1      THR  22  -6.860   2.045   7.230
  148   1HG2  THR  22          1HG2      THR  22  -8.214   3.568   4.270
  149   2HG2  THR  22          2HG2      THR  22  -6.811   2.635   4.846
  150   3HG2  THR  22          3HG2      THR  22  -8.441   1.923   4.911
  151    H    PHE  23           H        PHE  23  -9.397   6.800   7.618
  152    HA   PHE  23           HA       PHE  23 -11.881   6.576   6.735
  153   1HB   PHE  23          1HB       PHE  23 -10.281   9.202   6.704
  154   2HB   PHE  23          2HB       PHE  23 -11.991   9.046   7.054
  155    HD1  PHE  23           HD1      PHE  23 -11.917   6.703   8.915
  156    HD2  PHE  23           HD2      PHE  23  -9.444  10.142   8.674
  157    HE1  PHE  23           HE1      PHE  23 -11.399   6.501  11.362
  158    HE2  PHE  23           HE2      PHE  23  -8.925   9.940  11.121
  159    HZ   PHE  23           HZ       PHE  23  -9.909   8.123  12.436
  Start of MODEL   11
    1    H    GLU   1           H        GLU   1 -11.168  -9.797  13.117
    2    HA   GLU   1           HA       GLU   1 -10.029 -10.029  15.204
    3   1HB   GLU   1          1HB       GLU   1 -10.028 -12.553  15.335
    4   2HB   GLU   1          2HB       GLU   1 -11.488 -11.870  14.648
    5   1HG   GLU   1          1HG       GLU   1 -10.674 -12.337  12.357
    6   2HG   GLU   1          2HG       GLU   1  -9.147 -12.920  12.989
    7    H    ASN   2           H        ASN   2  -8.212 -11.036  12.296
    8    HA   ASN   2           HA       ASN   2  -5.930 -11.780  13.813
    9   1HB   ASN   2          1HB       ASN   2  -5.950 -11.117  10.837
   10   2HB   ASN   2          2HB       ASN   2  -4.911 -12.252  11.676
   11   1HD2  ASN   2          2HD2      ASN   2  -7.408 -12.033   9.630
   12   2HD2  ASN   2          1HD2      ASN   2  -8.254 -13.513   9.932
   13    H    PHE   3           H        PHE   3  -4.366 -10.325  14.546
   14    HA   PHE   3           HA       PHE   3  -4.639  -7.599  14.274
   15   1HB   PHE   3          1HB       PHE   3  -2.584  -7.603  15.506
   16   2HB   PHE   3          2HB       PHE   3  -3.225  -9.194  15.860
   17    HD1  PHE   3           HD1      PHE   3  -2.364 -11.166  14.511
   18    HD2  PHE   3           HD2      PHE   3  -0.500  -7.355  14.442
   19    HE1  PHE   3           HE1      PHE   3  -0.260 -12.213  13.628
   20    HE2  PHE   3           HE2      PHE   3   1.604  -8.402  13.558
   21    HZ   PHE   3           HZ       PHE   3   1.700 -10.818  13.162
   22    H    ASN   4           H        ASN   4  -4.213  -6.171  12.657
   23    HA   ASN   4           HA       ASN   4  -2.796  -7.207  10.372
   24   1HB   ASN   4          1HB       ASN   4  -4.936  -6.011   9.989
   25   2HB   ASN   4          2HB       ASN   4  -4.338  -4.601  10.841
   26   1HD2  ASN   4          2HD2      ASN   4  -3.749  -3.019   9.590
   27   2HD2  ASN   4          1HD2      ASN   4  -3.033  -3.124   8.016
   28    H    GLY   5           H        GLY   5  -1.037  -6.913  12.494
   29   1HA   GLY   5          1HA       GLY   5   1.156  -6.001  12.343
   30   2HA   GLY   5          2HA       GLY   5   0.482  -4.496  11.751
   31    H    GLY   6           H        GLY   6  -1.749  -4.287  13.627
   32   1HA   GLY   6          1HA       GLY   6  -1.680  -4.521  16.178
   33   2HA   GLY   6          2HA       GLY   6  -0.211  -3.574  16.038
   34    H    CYS   7           H        CYS   7  -3.309  -3.345  14.165
   35    HA   CYS   7           HA       CYS   7  -3.380  -0.528  14.909
   36   1HB   CYS   7          1HB       CYS   7  -4.837  -2.009  12.709
   37   2HB   CYS   7          2HB       CYS   7  -4.965  -0.292  13.035
   38    H    LEU   8           H        LEU   8  -6.049   0.094  14.703
   39    HA   LEU   8           HA       LEU   8  -7.141  -1.349  16.969
   40   1HB   LEU   8          1HB       LEU   8  -7.110   1.023  17.145
   41   2HB   LEU   8          2HB       LEU   8  -7.862   1.224  15.575
   42    HG   LEU   8           HG       LEU   8  -9.950   0.227  16.444
   43   1HD1  LEU   8          1HD1      LEU   8  -8.825  -1.173  18.201
   44   2HD1  LEU   8          2HD1      LEU   8  -8.663   0.303  19.182
   45   3HD1  LEU   8          3HD1      LEU   8 -10.279  -0.301  18.743
   46   1HD2  LEU   8          1HD2      LEU   8  -8.751   2.741  17.397
   47   2HD2  LEU   8          2HD2      LEU   8 -10.315   2.433  16.607
   48   3HD2  LEU   8          3HD2      LEU   8 -10.137   2.168  18.358
   49    H    ALA   9           H        ALA   9  -8.197  -0.304  13.652
   50    HA   ALA   9           HA       ALA   9  -9.088  -2.627  12.697
   51   1HB   ALA   9          1HB       ALA   9 -10.822  -1.738  14.919
   52   2HB   ALA   9          2HB       ALA   9 -11.698  -2.116  13.416
   53   3HB   ALA   9          3HB       ALA   9 -10.654  -3.345  14.171
   54    H    GLY  10           H        GLY  10  -8.549  -1.510  10.793
   55   1HA   GLY  10          1HA       GLY  10  -9.956  -0.603   8.967
   56   2HA   GLY  10          2HA       GLY  10 -10.401   0.683  10.070
   57    H    TYR  11           H        TYR  11  -7.818   1.069  11.351
   58    HA   TYR  11           HA       TYR  11  -6.684   2.911   9.624
   59   1HB   TYR  11          1HB       TYR  11  -5.621   1.254  11.994
   60   2HB   TYR  11          2HB       TYR  11  -4.759   2.641  11.356
   61    HD1  TYR  11           HD1      TYR  11  -7.730   1.543  13.240
   62    HD2  TYR  11           HD2      TYR  11  -5.530   4.912  11.781
   63    HE1  TYR  11           HE1      TYR  11  -9.056   3.081  14.770
   64    HE2  TYR  11           HE2      TYR  11  -6.864   6.437  13.316
   65    HH   TYR  11           HH       TYR  11  -8.438   5.497  15.866
   66    H    MET  12           H        MET  12  -4.533   2.948   8.614
   67    HA   MET  12           HA       MET  12  -3.785   0.269   7.726
   68   1HB   MET  12          1HB       MET  12  -2.883   1.656   5.673
   69   2HB   MET  12          2HB       MET  12  -4.612   1.396   5.789
   70   1HG   MET  12          1HG       MET  12  -5.059   3.616   6.329
   71   2HG   MET  12          2HG       MET  12  -3.546   3.830   7.187
   72   1HE   MET  12          1HE       MET  12  -3.302   6.042   6.276
   73   2HE   MET  12          2HE       MET  12  -2.843   6.477   4.611
   74   3HE   MET  12          3HE       MET  12  -4.546   6.150   5.008
   75    H    ARG  13           H        ARG  13  -1.432   0.032   7.089
   76    HA   ARG  13           HA       ARG  13   0.134   1.511   9.014
   77   1HB   ARG  13          1HB       ARG  13   0.055  -1.155   8.568
   78   2HB   ARG  13          2HB       ARG  13   1.283  -0.757   7.383
   79   1HG   ARG  13          1HG       ARG  13   2.769  -0.864   9.105
   80   2HG   ARG  13          2HG       ARG  13   2.139   0.696   9.594
   81   1HD   ARG  13          1HD       ARG  13   1.524  -0.292  11.551
   82   2HD   ARG  13          2HD       ARG  13   0.256  -1.098  10.649
   83    HE   ARG  13           HE       ARG  13   2.349  -2.766  10.165
   84   1HH1  ARG  13          1HH1      ARG  13   1.223  -1.303  13.161
   85   2HH1  ARG  13          2HH1      ARG  13   1.787  -2.602  14.157
   86   1HH2  ARG  13          1HH2      ARG  13   3.094  -4.481  11.480
   87   2HH2  ARG  13          2HH2      ARG  13   2.859  -4.422  13.195
   88    H    THR  14           H        THR  14   0.904   3.424   8.120
   89    HA   THR  14           HA       THR  14   1.311   3.872   5.410
   90    HB   THR  14           HB       THR  14   2.747   5.808   6.391
   91    HG1  THR  14           HG1      THR  14   3.124   4.269   8.330
   92   1HG2  THR  14          1HG2      THR  14  -0.117   5.192   7.160
   93   2HG2  THR  14          2HG2      THR  14   0.690   6.582   7.924
   94   3HG2  THR  14          3HG2      THR  14   0.512   6.520   6.154
   95    H    ALA  15           H        ALA  15   3.888   4.936   5.113
   96    HA   ALA  15           HA       ALA  15   5.311   2.464   4.665
   97   1HB   ALA  15          1HB       ALA  15   5.288   5.222   3.626
   98   2HB   ALA  15          2HB       ALA  15   6.924   4.548   3.815
   99   3HB   ALA  15          3HB       ALA  15   5.722   3.699   2.814
  100    H    ASP  16           H        ASP  16   4.822   4.093   7.395
  101    HA   ASP  16           HA       ASP  16   7.638   4.042   8.145
  102   1HB   ASP  16          1HB       ASP  16   5.882   6.124   8.415
  103   2HB   ASP  16          2HB       ASP  16   5.595   5.308   9.939
  104    H    GLY  17           H        GLY  17   4.479   2.622   8.470
  105   1HA   GLY  17          1HA       GLY  17   4.123   0.556   9.494
  106   2HA   GLY  17          2HA       GLY  17   5.455   0.852  10.594
  107    H    ARG  18           H        ARG  18   3.731   3.750  10.336
  108    HA   ARG  18           HA       ARG  18   2.579   3.275  12.908
  109   1HB   ARG  18          1HB       ARG  18   2.542   5.796  11.174
  110   2HB   ARG  18          2HB       ARG  18   2.101   5.721  12.868
  111   1HG   ARG  18          1HG       ARG  18   4.391   5.078  13.495
  112   2HG   ARG  18          2HG       ARG  18   4.858   4.941  11.812
  113   1HD   ARG  18          1HD       ARG  18   5.413   7.141  11.798
  114   2HD   ARG  18          2HD       ARG  18   3.740   7.559  12.111
  115    HE   ARG  18           HE       ARG  18   4.850   6.767  14.595
  116   1HH1  ARG  18          1HH1      ARG  18   5.319   9.318  12.216
  117   2HH1  ARG  18          2HH1      ARG  18   5.888  10.471  13.377
  118   1HH2  ARG  18          1HH2      ARG  18   5.600   8.288  16.126
  119   2HH2  ARG  18          2HH2      ARG  18   6.049   9.881  15.616
  120    H    CYS  19           H        CYS  19   0.529   2.423  13.073
  121    HA   CYS  19           HA       CYS  19  -1.181   2.122  10.936
  122   1HB   CYS  19          1HB       CYS  19  -1.766   2.162  13.901
  123   2HB   CYS  19          2HB       CYS  19  -2.924   1.675  12.681
  124    H    LYS  20           H        LYS  20  -1.680   3.983   9.739
  125    HA   LYS  20           HA       LYS  20  -2.621   6.309  11.228
  126   1HB   LYS  20          1HB       LYS  20  -1.336   5.844   8.599
  127   2HB   LYS  20          2HB       LYS  20  -2.580   7.078   8.615
  128   1HG   LYS  20          1HG       LYS  20  -1.073   7.524  10.982
  129   2HG   LYS  20          2HG       LYS  20   0.118   7.163   9.748
  130   1HD   LYS  20          1HD       LYS  20  -1.275   8.857   8.265
  131   2HD   LYS  20          2HD       LYS  20  -1.930   9.400   9.796
  132   1HE   LYS  20          1HE       LYS  20   1.063   9.217   9.215
  133   2HE   LYS  20          2HE       LYS  20   0.125  10.682   9.003
  134   1HZ   LYS  20          1HZ       LYS  20  -0.557  10.023  11.459
  135   2HZ   LYS  20          2HZ       LYS  20   0.948   9.389  11.434
  136   3HZ   LYS  20          3HZ       LYS  20   0.726  10.976  11.121
  137    HA   PRO  21           HA       PRO  21  -6.731   5.711  10.051
  138   1HB   PRO  21          1HB       PRO  21  -7.660   8.219   9.489
  139   2HB   PRO  21          2HB       PRO  21  -7.446   7.620  11.122
  140   1HG   PRO  21          1HG       PRO  21  -5.777   9.542   9.618
  141   2HG   PRO  21          2HG       PRO  21  -5.837   9.258  11.346
  142   1HD   PRO  21          1HD       PRO  21  -3.810   8.357   9.528
  143   2HD   PRO  21          2HD       PRO  21  -3.932   7.976  11.235
  144    H    THR  22           H        THR  22  -8.149   5.126   8.433
  145    HA   THR  22           HA       THR  22  -6.930   5.332   5.815
  146    HB   THR  22           HB       THR  22  -9.608   4.052   6.458
  147    HG1  THR  22           HG1      THR  22  -6.859   3.298   7.136
  148   1HG2  THR  22          1HG2      THR  22  -7.734   3.970   4.279
  149   2HG2  THR  22          2HG2      THR  22  -7.636   2.400   5.113
  150   3HG2  THR  22          3HG2      THR  22  -9.198   2.978   4.486
  151    H    PHE  23           H        PHE  23  -8.487   7.566   7.556
  152    HA   PHE  23           HA       PHE  23 -10.093   8.445   5.260
  153   1HB   PHE  23          1HB       PHE  23 -11.296   9.780   7.081
  154   2HB   PHE  23          2HB       PHE  23 -11.420   8.046   7.309
  155    HD1  PHE  23           HD1      PHE  23  -9.266  10.920   8.325
  156    HD2  PHE  23           HD2      PHE  23 -10.929   7.164   9.388
  157    HE1  PHE  23           HE1      PHE  23  -8.323  11.157  10.639
  158    HE2  PHE  23           HE2      PHE  23  -9.986   7.401  11.702
  159    HZ   PHE  23           HZ       PHE  23  -8.693   9.394  12.300
  Start of MODEL   12
    1    H    GLU   1           H        GLU   1  -8.978 -11.239  14.664
    2    HA   GLU   1           HA       GLU   1  -8.634 -11.890  12.393
    3   1HB   GLU   1          1HB       GLU   1  -9.953  -9.703  13.169
    4   2HB   GLU   1          2HB       GLU   1  -8.681  -8.874  12.294
    5   1HG   GLU   1          1HG       GLU   1 -10.486  -9.250  10.728
    6   2HG   GLU   1          2HG       GLU   1  -9.187 -10.338  10.281
    7    H    ASN   2           H        ASN   2  -6.145 -12.462  12.876
    8    HA   ASN   2           HA       ASN   2  -4.090 -12.409  12.188
    9   1HB   ASN   2          1HB       ASN   2  -5.632 -11.299   9.919
   10   2HB   ASN   2          2HB       ASN   2  -3.970 -10.744   9.907
   11   1HD2  ASN   2          2HD2      ASN   2  -2.436 -12.023   9.163
   12   2HD2  ASN   2          1HD2      ASN   2  -2.584 -13.707   8.790
   13    H    PHE   3           H        PHE   3  -2.128 -10.831  11.633
   14    HA   PHE   3           HA       PHE   3  -2.667  -8.243  12.915
   15   1HB   PHE   3          1HB       PHE   3  -1.300  -9.570  14.405
   16   2HB   PHE   3          2HB       PHE   3  -0.437 -10.322  13.078
   17    HD1  PHE   3           HD1      PHE   3  -0.677  -7.345  15.195
   18    HD2  PHE   3           HD2      PHE   3   1.444  -9.208  12.027
   19    HE1  PHE   3           HE1      PHE   3   1.187  -5.686  15.468
   20    HE2  PHE   3           HE2      PHE   3   3.308  -7.549  12.299
   21    HZ   PHE   3           HZ       PHE   3   3.157  -5.808  14.016
   22    H    ASN   4           H        ASN   4  -2.726  -6.770  11.255
   23    HA   ASN   4           HA       ASN   4  -0.774  -7.116   9.143
   24   1HB   ASN   4          1HB       ASN   4  -2.171  -5.148   8.121
   25   2HB   ASN   4          2HB       ASN   4  -2.930  -6.725   8.203
   26   1HD2  ASN   4          2HD2      ASN   4  -3.114  -3.473   9.041
   27   2HD2  ASN   4          1HD2      ASN   4  -4.463  -3.514  10.127
   28    H    GLY   5           H        GLY   5   0.589  -6.392  11.352
   29   1HA   GLY   5          1HA       GLY   5   2.243  -4.668  11.468
   30   2HA   GLY   5          2HA       GLY   5   1.020  -3.487  11.046
   31    H    GLY   6           H        GLY   6  -1.129  -4.449  12.747
   32   1HA   GLY   6          1HA       GLY   6  -1.424  -4.944  15.092
   33   2HA   GLY   6          2HA       GLY   6   0.036  -4.037  15.433
   34    H    CYS   7           H        CYS   7  -2.994  -3.454  13.494
   35    HA   CYS   7           HA       CYS   7  -3.025  -0.759  14.587
   36   1HB   CYS   7          1HB       CYS   7  -4.371  -2.054  12.224
   37   2HB   CYS   7          2HB       CYS   7  -4.910  -0.507  12.850
   38    H    LEU   8           H        LEU   8  -5.626  -0.056  14.725
   39    HA   LEU   8           HA       LEU   8  -6.622  -1.781  16.822
   40   1HB   LEU   8          1HB       LEU   8  -6.527   0.545  17.301
   41   2HB   LEU   8          2HB       LEU   8  -7.371   0.960  15.822
   42    HG   LEU   8           HG       LEU   8  -9.432  -0.054  16.674
   43   1HD1  LEU   8          1HD1      LEU   8  -8.360  -1.810  18.058
   44   2HD1  LEU   8          2HD1      LEU   8  -7.920  -0.563  19.250
   45   3HD1  LEU   8          3HD1      LEU   8  -9.634  -0.913  18.918
   46   1HD2  LEU   8          1HD2      LEU   8  -8.187   2.306  17.614
   47   2HD2  LEU   8          2HD2      LEU   8  -9.925   1.937  17.514
   48   3HD2  LEU   8          3HD2      LEU   8  -9.022   1.570  19.004
   49    H    ALA   9           H        ALA   9  -7.860  -0.309  13.738
   50    HA   ALA   9           HA       ALA   9  -8.868  -2.477  12.562
   51   1HB   ALA   9          1HB       ALA   9 -10.534  -1.733  14.931
   52   2HB   ALA   9          2HB       ALA   9 -11.399  -2.156  13.434
   53   3HB   ALA   9          3HB       ALA   9 -10.273  -3.322  14.169
   54    H    GLY  10           H        GLY  10  -8.555  -1.252  10.714
   55   1HA   GLY  10          1HA       GLY  10 -10.022  -0.067   9.146
   56   2HA   GLY  10          2HA       GLY  10 -10.338   1.093  10.421
   57    H    TYR  11           H        TYR  11  -7.612   1.199  11.509
   58    HA   TYR  11           HA       TYR  11  -6.567   3.223   9.912
   59   1HB   TYR  11          1HB       TYR  11  -5.407   1.294  12.016
   60   2HB   TYR  11          2HB       TYR  11  -4.524   2.699  11.451
   61    HD1  TYR  11           HD1      TYR  11  -6.015   4.978  11.566
   62    HD2  TYR  11           HD2      TYR  11  -6.536   1.516  14.024
   63    HE1  TYR  11           HE1      TYR  11  -7.156   6.399  13.339
   64    HE2  TYR  11           HE2      TYR  11  -7.675   2.949  15.789
   65    HH   TYR  11           HH       TYR  11  -7.724   5.247  16.481
   66    H    MET  12           H        MET  12  -4.493   3.311   8.751
   67    HA   MET  12           HA       MET  12  -3.976   0.749   7.456
   68   1HB   MET  12          1HB       MET  12  -2.956   2.443   5.664
   69   2HB   MET  12          2HB       MET  12  -4.692   2.212   5.736
   70   1HG   MET  12          1HG       MET  12  -5.019   4.255   6.986
   71   2HG   MET  12          2HG       MET  12  -3.310   4.396   7.352
   72   1HE   MET  12          1HE       MET  12  -2.354   6.172   6.622
   73   2HE   MET  12          2HE       MET  12  -2.344   6.926   5.010
   74   3HE   MET  12          3HE       MET  12  -3.723   7.184   6.105
   75    H    ARG  13           H        ARG  13  -1.692   0.345   6.751
   76    HA   ARG  13           HA       ARG  13   0.073   1.385   8.789
   77   1HB   ARG  13          1HB       ARG  13   0.230  -0.973   8.763
   78   2HB   ARG  13          2HB       ARG  13   0.045  -1.072   7.023
   79   1HG   ARG  13          1HG       ARG  13   2.292  -0.717   6.617
   80   2HG   ARG  13          2HG       ARG  13   2.468   0.409   7.947
   81   1HD   ARG  13          1HD       ARG  13   3.660  -1.397   8.811
   82   2HD   ARG  13          2HD       ARG  13   2.070  -1.773   9.445
   83    HE   ARG  13           HE       ARG  13   1.873  -3.559   7.904
   84   1HH1  ARG  13          1HH1      ARG  13   4.733  -1.633   7.203
   85   2HH1  ARG  13          2HH1      ARG  13   5.399  -2.790   6.099
   86   1HH2  ARG  13          1HH2      ARG  13   2.750  -5.087   6.448
   87   2HH2  ARG  13          2HH2      ARG  13   4.263  -4.768   5.667
   88    H    THR  14           H        THR  14   1.085   3.276   8.132
   89    HA   THR  14           HA       THR  14   1.478   3.998   5.460
   90    HB   THR  14           HB       THR  14   2.763   5.837   6.467
   91    HG1  THR  14           HG1      THR  14   2.606   4.197   8.887
   92   1HG2  THR  14          1HG2      THR  14   0.226   4.944   7.632
   93   2HG2  THR  14          2HG2      THR  14   1.231   5.749   8.861
   94   3HG2  THR  14          3HG2      THR  14   0.802   6.606   7.360
   95    H    ALA  15           H        ALA  15   4.323   4.873   5.739
   96    HA   ALA  15           HA       ALA  15   5.459   2.352   4.805
   97   1HB   ALA  15          1HB       ALA  15   5.440   4.543   3.450
   98   2HB   ALA  15          2HB       ALA  15   6.668   5.126   4.600
   99   3HB   ALA  15          3HB       ALA  15   6.998   3.695   3.595
  100    H    ASP  16           H        ASP  16   5.084   3.875   7.703
  101    HA   ASP  16           HA       ASP  16   7.769   3.100   8.539
  102   1HB   ASP  16          1HB       ASP  16   6.186   5.519   9.028
  103   2HB   ASP  16          2HB       ASP  16   6.615   4.751  10.543
  104    H    GLY  17           H        GLY  17   4.497   2.299   8.508
  105   1HA   GLY  17          1HA       GLY  17   3.608   0.442   9.583
  106   2HA   GLY  17          2HA       GLY  17   4.779   0.605  10.877
  107    H    ARG  18           H        ARG  18   3.914   3.739  10.473
  108    HA   ARG  18           HA       ARG  18   2.464   3.855  12.788
  109   1HB   ARG  18          1HB       ARG  18   2.389   5.872  10.488
  110   2HB   ARG  18          2HB       ARG  18   2.025   6.215  12.167
  111   1HG   ARG  18          1HG       ARG  18   4.437   5.342  12.674
  112   2HG   ARG  18          2HG       ARG  18   4.717   5.492  10.950
  113   1HD   ARG  18          1HD       ARG  18   3.455   7.929  11.761
  114   2HD   ARG  18          2HD       ARG  18   4.670   7.584  12.976
  115    HE   ARG  18           HE       ARG  18   6.364   7.902  11.370
  116   1HH1  ARG  18          1HH1      ARG  18   3.229   7.713   9.783
  117   2HH1  ARG  18          2HH1      ARG  18   3.835   8.226   8.244
  118   1HH2  ARG  18          1HH2      ARG  18   7.163   8.580   9.340
  119   2HH2  ARG  18          2HH2      ARG  18   6.088   8.722   7.990
  120    H    CYS  19           H        CYS  19   0.435   3.005  13.144
  121    HA   CYS  19           HA       CYS  19  -1.313   2.403  11.035
  122   1HB   CYS  19          1HB       CYS  19  -1.696   2.505  14.028
  123   2HB   CYS  19          2HB       CYS  19  -2.959   2.008  12.921
  124    H    LYS  20           H        LYS  20  -1.850   4.250   9.799
  125    HA   LYS  20           HA       LYS  20  -2.911   6.543  11.256
  126   1HB   LYS  20          1HB       LYS  20  -1.357   6.191   8.864
  127   2HB   LYS  20          2HB       LYS  20  -2.855   6.998   8.449
  128   1HG   LYS  20          1HG       LYS  20  -2.249   8.377  10.718
  129   2HG   LYS  20          2HG       LYS  20  -0.626   7.924  10.235
  130   1HD   LYS  20          1HD       LYS  20  -1.969   8.800   7.858
  131   2HD   LYS  20          2HD       LYS  20  -2.352   9.969   9.105
  132   1HE   LYS  20          1HE       LYS  20   0.217   9.916   9.653
  133   2HE   LYS  20          2HE       LYS  20   0.392   9.145   8.088
  134   1HZ   LYS  20          1HZ       LYS  20  -1.253  11.270   7.655
  135   2HZ   LYS  20          2HZ       LYS  20  -0.116  11.850   8.674
  136   3HZ   LYS  20          3HZ       LYS  20   0.328  11.170   7.257
  137    HA   PRO  21           HA       PRO  21  -6.979   5.825   9.985
  138   1HB   PRO  21          1HB       PRO  21  -7.924   8.204   9.027
  139   2HB   PRO  21          2HB       PRO  21  -7.749   7.862  10.736
  140   1HG   PRO  21          1HG       PRO  21  -6.063   9.564   9.004
  141   2HG   PRO  21          2HG       PRO  21  -6.168   9.541  10.754
  142   1HD   PRO  21          1HD       PRO  21  -4.079   8.413   9.146
  143   2HD   PRO  21          2HD       PRO  21  -4.245   8.290  10.886
  144    H    THR  22           H        THR  22  -8.347   4.986   8.434
  145    HA   THR  22           HA       THR  22  -7.201   5.247   5.733
  146    HB   THR  22           HB       THR  22  -8.938   2.986   6.834
  147    HG1  THR  22           HG1      THR  22  -6.777   2.016   7.198
  148   1HG2  THR  22          1HG2      THR  22  -8.285   3.394   4.254
  149   2HG2  THR  22          2HG2      THR  22  -6.726   2.723   4.791
  150   3HG2  THR  22          3HG2      THR  22  -8.214   1.763   4.964
  151    H    PHE  23           H        PHE  23  -9.426   6.744   7.507
  152    HA   PHE  23           HA       PHE  23 -11.887   6.468   6.571
  153   1HB   PHE  23          1HB       PHE  23 -10.324   9.116   6.537
  154   2HB   PHE  23          2HB       PHE  23 -12.039   8.943   6.847
  155    HD1  PHE  23           HD1      PHE  23 -11.958   6.612   8.740
  156    HD2  PHE  23           HD2      PHE  23  -9.570  10.113   8.517
  157    HE1  PHE  23           HE1      PHE  23 -11.498   6.455  11.202
  158    HE2  PHE  23           HE2      PHE  23  -9.110   9.956  10.981
  159    HZ   PHE  23           HZ       PHE  23 -10.079   8.127  12.293
  Start of MODEL   13
    1    H    GLU   1           H        GLU   1   0.746  -7.646  23.047
    2    HA   GLU   1           HA       GLU   1  -1.298  -6.411  23.074
    3   1HB   GLU   1          1HB       GLU   1   1.345  -4.981  22.921
    4   2HB   GLU   1          2HB       GLU   1  -0.105  -4.001  23.008
    5   1HG   GLU   1          1HG       GLU   1   0.235  -6.308  24.941
    6   2HG   GLU   1          2HG       GLU   1   1.102  -4.814  25.234
    7    H    ASN   2           H        ASN   2  -2.361  -7.035  20.990
    8    HA   ASN   2           HA       ASN   2  -2.502  -4.706  19.319
    9   1HB   ASN   2          1HB       ASN   2  -2.059  -7.463  18.069
   10   2HB   ASN   2          2HB       ASN   2  -2.172  -5.936  17.218
   11   1HD2  ASN   2          1HD2      ASN   2  -0.174  -8.147  18.851
   12   2HD2  ASN   2          2HD2      ASN   2   1.322  -7.275  18.803
   13    H    PHE   3           H        PHE   3  -4.438  -5.027  17.700
   14    HA   PHE   3           HA       PHE   3  -6.468  -6.631  19.069
   15   1HB   PHE   3          1HB       PHE   3  -6.298  -4.053  17.496
   16   2HB   PHE   3          2HB       PHE   3  -7.771  -4.976  17.276
   17    HD1  PHE   3           HD1      PHE   3  -5.778  -3.031  19.646
   18    HD2  PHE   3           HD2      PHE   3  -9.355  -5.247  19.099
   19    HE1  PHE   3           HE1      PHE   3  -6.708  -2.054  21.763
   20    HE2  PHE   3           HE2      PHE   3 -10.285  -4.270  21.216
   21    HZ   PHE   3           HZ       PHE   3  -8.949  -2.685  22.522
   22    H    ASN   4           H        ASN   4  -6.037  -5.391  15.681
   23    HA   ASN   4           HA       ASN   4  -6.880  -8.028  14.803
   24   1HB   ASN   4          1HB       ASN   4  -7.144  -6.734  12.542
   25   2HB   ASN   4          2HB       ASN   4  -8.298  -6.384  13.814
   26   1HD2  ASN   4          2HD2      ASN   4  -5.134  -5.375  12.554
   27   2HD2  ASN   4          1HD2      ASN   4  -5.302  -3.677  12.855
   28    H    GLY   5           H        GLY   5  -4.202  -7.788  15.730
   29   1HA   GLY   5          1HA       GLY   5  -2.356  -8.872  14.659
   30   2HA   GLY   5          2HA       GLY   5  -2.689  -7.963  13.198
   31    H    GLY   6           H        GLY   6  -3.238  -5.387  14.555
   32   1HA   GLY   6          1HA       GLY   6  -1.015  -4.671  16.180
   33   2HA   GLY   6          2HA       GLY   6  -0.729  -4.237  14.506
   34    H    CYS   7           H        CYS   7  -2.614  -3.028  13.368
   35    HA   CYS   7           HA       CYS   7  -3.089  -0.681  14.694
   36   1HB   CYS   7          1HB       CYS   7  -4.382  -1.985  12.316
   37   2HB   CYS   7          2HB       CYS   7  -4.994  -0.464  12.934
   38    H    LEU   8           H        LEU   8  -5.650   0.100  14.837
   39    HA   LEU   8           HA       LEU   8  -6.700  -1.552  16.954
   40   1HB   LEU   8          1HB       LEU   8  -6.593   0.794  17.337
   41   2HB   LEU   8          2HB       LEU   8  -7.428   1.151  15.838
   42    HG   LEU   8           HG       LEU   8  -9.503   0.228  16.710
   43   1HD1  LEU   8          1HD1      LEU   8  -7.744  -0.692  18.947
   44   2HD1  LEU   8          2HD1      LEU   8  -9.437  -0.272  19.299
   45   3HD1  LEU   8          3HD1      LEU   8  -9.064  -1.536  18.102
   46   1HD2  LEU   8          1HD2      LEU   8  -9.010   2.588  17.127
   47   2HD2  LEU   8          2HD2      LEU   8  -9.970   1.881  18.448
   48   3HD2  LEU   8          3HD2      LEU   8  -8.226   2.161  18.666
   49    H    ALA   9           H        ALA   9  -7.913  -0.187  13.811
   50    HA   ALA   9           HA       ALA   9  -8.919  -2.392  12.705
   51   1HB   ALA   9          1HB       ALA   9 -10.662  -1.499  14.986
   52   2HB   ALA   9          2HB       ALA   9 -11.437  -2.126  13.512
   53   3HB   ALA   9          3HB       ALA   9 -10.290  -3.143  14.417
   54    H    GLY  10           H        GLY  10  -8.566  -1.215  10.827
   55   1HA   GLY  10          1HA       GLY  10 -10.034  -0.086   9.207
   56   2HA   GLY  10          2HA       GLY  10 -10.343   1.121  10.438
   57    H    TYR  11           H        TYR  11  -7.630   1.261  11.534
   58    HA   TYR  11           HA       TYR  11  -6.561   3.214   9.873
   59   1HB   TYR  11          1HB       TYR  11  -5.418   1.340  12.035
   60   2HB   TYR  11          2HB       TYR  11  -4.522   2.718  11.428
   61    HD1  TYR  11           HD1      TYR  11  -6.002   5.012  11.467
   62    HD2  TYR  11           HD2      TYR  11  -6.533   1.637  14.041
   63    HE1  TYR  11           HE1      TYR  11  -7.129   6.498  13.195
   64    HE2  TYR  11           HE2      TYR  11  -7.658   3.135  15.761
   65    HH   TYR  11           HH       TYR  11  -8.597   6.357  15.003
   66    H    MET  12           H        MET  12  -4.509   3.253   8.689
   67    HA   MET  12           HA       MET  12  -4.000   0.645   7.486
   68   1HB   MET  12          1HB       MET  12  -3.069   2.146   5.570
   69   2HB   MET  12          2HB       MET  12  -4.807   2.164   5.796
   70   1HG   MET  12          1HG       MET  12  -4.829   4.352   6.528
   71   2HG   MET  12          2HG       MET  12  -3.343   4.175   7.438
   72   1HE   MET  12          1HE       MET  12  -3.552   6.681   6.377
   73   2HE   MET  12          2HE       MET  12  -2.841   7.092   4.798
   74   3HE   MET  12          3HE       MET  12  -4.511   6.482   4.891
   75    H    ARG  13           H        ARG  13  -1.684   0.345   6.648
   76    HA   ARG  13           HA       ARG  13   0.073   1.321   8.724
   77   1HB   ARG  13          1HB       ARG  13   0.412  -0.912   6.659
   78   2HB   ARG  13          2HB       ARG  13   1.628  -0.492   7.849
   79   1HG   ARG  13          1HG       ARG  13  -0.879  -0.804   9.241
   80   2HG   ARG  13          2HG       ARG  13  -0.690  -2.184   8.177
   81   1HD   ARG  13          1HD       ARG  13   1.873  -1.913   9.255
   82   2HD   ARG  13          2HD       ARG  13   0.851  -1.455  10.603
   83    HE   ARG  13           HE       ARG  13   0.059  -3.662  10.743
   84   1HH1  ARG  13          1HH1      ARG  13   1.745  -3.206   7.688
   85   2HH1  ARG  13          2HH1      ARG  13   1.727  -4.889   7.280
   86   1HH2  ARG  13          1HH2      ARG  13   0.035  -5.883  10.205
   87   2HH2  ARG  13          2HH2      ARG  13   0.748  -6.422   8.721
   88    H    THR  14           H        THR  14   1.008   3.280   8.150
   89    HA   THR  14           HA       THR  14   1.419   4.051   5.464
   90    HB   THR  14           HB       THR  14   2.614   5.964   6.591
   91    HG1  THR  14           HG1      THR  14   3.546   5.251   8.473
   92   1HG2  THR  14          1HG2      THR  14  -0.111   5.205   7.019
   93   2HG2  THR  14          2HG2      THR  14   0.518   5.712   8.604
   94   3HG2  THR  14          3HG2      THR  14   0.594   6.827   7.218
   95    H    ALA  15           H        ALA  15   4.043   5.176   5.546
   96    HA   ALA  15           HA       ALA  15   5.510   2.739   4.941
   97   1HB   ALA  15          1HB       ALA  15   5.289   4.682   3.329
   98   2HB   ALA  15          2HB       ALA  15   6.282   5.640   4.454
   99   3HB   ALA  15          3HB       ALA  15   6.963   4.189   3.681
  100    H    ASP  16           H        ASP  16   4.858   3.773   7.758
  101    HA   ASP  16           HA       ASP  16   7.639   3.831   8.621
  102   1HB   ASP  16          1HB       ASP  16   5.654   5.856   8.999
  103   2HB   ASP  16          2HB       ASP  16   5.847   5.076  10.556
  104    H    GLY  17           H        GLY  17   4.974   1.981   8.354
  105   1HA   GLY  17          1HA       GLY  17   4.297   0.104   9.408
  106   2HA   GLY  17          2HA       GLY  17   5.594   0.304  10.570
  107    H    ARG  18           H        ARG  18   3.714   3.180  10.270
  108    HA   ARG  18           HA       ARG  18   2.715   2.784  12.888
  109   1HB   ARG  18          1HB       ARG  18   3.018   5.010  10.970
  110   2HB   ARG  18          2HB       ARG  18   1.501   5.107  11.843
  111   1HG   ARG  18          1HG       ARG  18   3.281   4.451  13.876
  112   2HG   ARG  18          2HG       ARG  18   4.278   5.453  12.840
  113   1HD   ARG  18          1HD       ARG  18   3.072   7.365  13.296
  114   2HD   ARG  18          2HD       ARG  18   1.534   6.524  13.295
  115    HE   ARG  18           HE       ARG  18   2.955   5.639  15.587
  116   1HH1  ARG  18          1HH1      ARG  18   1.554   8.621  14.352
  117   2HH1  ARG  18          2HH1      ARG  18   1.247   9.279  15.925
  118   1HH2  ARG  18          1HH2      ARG  18   2.550   6.506  17.663
  119   2HH2  ARG  18          2HH2      ARG  18   1.818   8.067  17.821
  120    H    CYS  19           H        CYS  19   0.204   4.080  12.873
  121    HA   CYS  19           HA       CYS  19  -1.393   2.442  11.053
  122   1HB   CYS  19          1HB       CYS  19  -1.766   2.730  14.035
  123   2HB   CYS  19          2HB       CYS  19  -3.038   2.180  12.963
  124    H    LYS  20           H        LYS  20  -1.894   4.230   9.709
  125    HA   LYS  20           HA       LYS  20  -2.933   6.614  11.029
  126   1HB   LYS  20          1HB       LYS  20  -1.450   6.068   8.595
  127   2HB   LYS  20          2HB       LYS  20  -2.900   6.984   8.241
  128   1HG   LYS  20          1HG       LYS  20  -2.177   8.447  10.329
  129   2HG   LYS  20          2HG       LYS  20  -0.601   7.725  10.074
  130   1HD   LYS  20          1HD       LYS  20  -0.528   8.565   7.760
  131   2HD   LYS  20          2HD       LYS  20  -2.173   9.159   7.884
  132   1HE   LYS  20          1HE       LYS  20  -0.860  11.098   8.267
  133   2HE   LYS  20          2HE       LYS  20  -1.327  10.601   9.881
  134   1HZ   LYS  20          1HZ       LYS  20   1.163   9.622   8.714
  135   2HZ   LYS  20          2HZ       LYS  20   1.105  11.099   9.409
  136   3HZ   LYS  20          3HZ       LYS  20   0.760   9.768  10.290
  137    HA   PRO  21           HA       PRO  21  -7.014   5.846   9.837
  138   1HB   PRO  21          1HB       PRO  21  -7.963   8.206   8.838
  139   2HB   PRO  21          2HB       PRO  21  -7.772   7.900  10.552
  140   1HG   PRO  21          1HG       PRO  21  -6.099   9.561   8.770
  141   2HG   PRO  21          2HG       PRO  21  -6.189   9.576  10.520
  142   1HD   PRO  21          1HD       PRO  21  -4.116   8.409   8.917
  143   2HD   PRO  21          2HD       PRO  21  -4.266   8.323  10.660
  144    H    THR  22           H        THR  22  -8.367   4.940   8.324
  145    HA   THR  22           HA       THR  22  -7.256   5.153   5.606
  146    HB   THR  22           HB       THR  22  -8.979   2.923   6.792
  147    HG1  THR  22           HG1      THR  22  -6.865   3.381   7.908
  148   1HG2  THR  22          1HG2      THR  22  -8.233   3.359   4.166
  149   2HG2  THR  22          2HG2      THR  22  -6.837   2.433   4.768
  150   3HG2  THR  22          3HG2      THR  22  -8.474   1.741   4.869
  151    H    PHE  23           H        PHE  23  -9.465   6.696   7.361
  152    HA   PHE  23           HA       PHE  23 -11.932   6.403   6.451
  153   1HB   PHE  23          1HB       PHE  23 -10.364   9.047   6.347
  154   2HB   PHE  23          2HB       PHE  23 -12.078   8.884   6.671
  155    HD1  PHE  23           HD1      PHE  23 -11.962   6.578   8.609
  156    HD2  PHE  23           HD2      PHE  23  -9.624  10.106   8.306
  157    HE1  PHE  23           HE1      PHE  23 -11.487   6.474  11.072
  158    HE2  PHE  23           HE2      PHE  23  -9.149  10.004  10.768
  159    HZ   PHE  23           HZ       PHE  23 -10.086   8.189  12.122
  Start of MODEL   14
    1    H    GLU   1           H        GLU   1  -2.056 -17.874  11.312
    2    HA   GLU   1           HA       GLU   1  -3.372 -15.880  11.272
    3   1HB   GLU   1          1HB       GLU   1  -1.914 -16.848  13.636
    4   2HB   GLU   1          2HB       GLU   1  -2.414 -15.179  13.818
    5   1HG   GLU   1          1HG       GLU   1  -4.432 -16.045  14.442
    6   2HG   GLU   1          2HG       GLU   1  -4.698 -16.286  12.726
    7    H    ASN   2           H        ASN   2  -0.183 -15.047  12.821
    8    HA   ASN   2           HA       ASN   2   1.022 -13.245  12.770
    9   1HB   ASN   2          1HB       ASN   2   0.174 -13.624   9.938
   10   2HB   ASN   2          2HB       ASN   2   0.706 -11.992  10.294
   11   1HD2  ASN   2          2HD2      ASN   2   1.588 -15.284   9.884
   12   2HD2  ASN   2          1HD2      ASN   2   3.304 -15.132  10.062
   13    H    PHE   3           H        PHE   3   0.928 -10.668  12.172
   14    HA   PHE   3           HA       PHE   3  -1.822  -9.808  12.743
   15   1HB   PHE   3          1HB       PHE   3   0.840  -9.344  13.956
   16   2HB   PHE   3          2HB       PHE   3   0.104  -7.822  13.494
   17    HD1  PHE   3           HD1      PHE   3  -0.157 -10.732  15.695
   18    HD2  PHE   3           HD2      PHE   3  -1.907  -7.025  14.597
   19    HE1  PHE   3           HE1      PHE   3  -1.540 -10.765  17.790
   20    HE2  PHE   3           HE2      PHE   3  -3.290  -7.058  16.691
   21    HZ   PHE   3           HZ       PHE   3  -3.090  -8.928  18.263
   22    H    ASN   4           H        ASN   4  -2.410  -7.629  11.930
   23    HA   ASN   4           HA       ASN   4  -1.239  -7.275   9.326
   24   1HB   ASN   4          1HB       ASN   4  -3.724  -7.305   9.578
   25   2HB   ASN   4          2HB       ASN   4  -3.645  -5.947  10.683
   26   1HD2  ASN   4          2HD2      ASN   4  -4.088  -4.069   9.845
   27   2HD2  ASN   4          1HD2      ASN   4  -3.837  -3.555   8.209
   28    H    GLY   5           H        GLY   5   0.407  -6.560  11.630
   29   1HA   GLY   5          1HA       GLY   5   1.931  -4.756  11.665
   30   2HA   GLY   5          2HA       GLY   5   0.655  -3.662  11.171
   31    H    GLY   6           H        GLY   6  -1.414  -4.691  13.001
   32   1HA   GLY   6          1HA       GLY   6  -1.734  -4.942  15.338
   33   2HA   GLY   6          2HA       GLY   6  -0.244  -4.068  15.635
   34    H    CYS   7           H        CYS   7  -3.325  -3.527  13.764
   35    HA   CYS   7           HA       CYS   7  -3.258  -0.774  14.734
   36   1HB   CYS   7          1HB       CYS   7  -4.699  -2.051  12.406
   37   2HB   CYS   7          2HB       CYS   7  -5.001  -0.411  12.945
   38    H    LEU   8           H        LEU   8  -5.860  -0.010  14.757
   39    HA   LEU   8           HA       LEU   8  -6.945  -1.631  16.891
   40   1HB   LEU   8          1HB       LEU   8  -6.836   0.716  17.260
   41   2HB   LEU   8          2HB       LEU   8  -7.635   1.068  15.741
   42    HG   LEU   8           HG       LEU   8  -9.724   0.077  16.594
   43   1HD1  LEU   8          1HD1      LEU   8  -7.961  -0.685  18.861
   44   2HD1  LEU   8          2HD1      LEU   8  -9.612  -0.156  19.264
   45   3HD1  LEU   8          3HD1      LEU   8  -9.362  -1.525  18.154
   46   1HD2  LEU   8          1HD2      LEU   8  -8.408   2.344  18.060
   47   2HD2  LEU   8          2HD2      LEU   8  -9.719   2.373  16.857
   48   3HD2  LEU   8          3HD2      LEU   8 -10.044   1.808  18.513
   49    H    ALA   9           H        ALA   9  -8.081  -0.283  13.711
   50    HA   ALA   9           HA       ALA   9  -9.072  -2.489  12.596
   51   1HB   ALA   9          1HB       ALA   9 -10.789  -1.652  14.892
   52   2HB   ALA   9          2HB       ALA   9 -11.625  -2.112  13.390
   53   3HB   ALA   9          3HB       ALA   9 -10.528  -3.266  14.187
   54    H    GLY  10           H        GLY  10  -8.637  -1.286  10.741
   55   1HA   GLY  10          1HA       GLY  10 -10.066  -0.174   9.071
   56   2HA   GLY  10          2HA       GLY  10 -10.426   1.030  10.293
   57    H    TYR  11           H        TYR  11  -7.713   1.124  11.465
   58    HA   TYR  11           HA       TYR  11  -6.614   3.098   9.816
   59   1HB   TYR  11          1HB       TYR  11  -5.538   1.293  12.070
   60   2HB   TYR  11          2HB       TYR  11  -4.658   2.690  11.483
   61    HD1  TYR  11           HD1      TYR  11  -5.821   4.995  11.657
   62    HD2  TYR  11           HD2      TYR  11  -7.147   1.521  13.773
   63    HE1  TYR  11           HE1      TYR  11  -7.077   6.469  13.306
   64    HE2  TYR  11           HE2      TYR  11  -8.398   3.007  15.414
   65    HH   TYR  11           HH       TYR  11  -9.108   6.158  14.810
   66    H    MET  12           H        MET  12  -4.519   3.130   8.718
   67    HA   MET  12           HA       MET  12  -3.870   0.478   7.682
   68   1HB   MET  12          1HB       MET  12  -2.958   1.956   5.694
   69   2HB   MET  12          2HB       MET  12  -4.692   1.745   5.832
   70   1HG   MET  12          1HG       MET  12  -5.053   3.941   6.537
   71   2HG   MET  12          2HG       MET  12  -3.497   4.059   7.335
   72   1HE   MET  12          1HE       MET  12  -3.793   6.249   6.538
   73   2HE   MET  12          2HE       MET  12  -2.338   6.592   5.571
   74   3HE   MET  12          3HE       MET  12  -3.953   6.789   4.849
   75    H    ARG  13           H        ARG  13  -1.543   0.186   6.988
   76    HA   ARG  13           HA       ARG  13   0.122   1.543   8.928
   77   1HB   ARG  13          1HB       ARG  13   0.359  -0.818   9.148
   78   2HB   ARG  13          2HB       ARG  13   0.328  -1.082   7.416
   79   1HG   ARG  13          1HG       ARG  13   2.560   0.669   8.202
   80   2HG   ARG  13          2HG       ARG  13   2.625  -0.870   9.038
   81   1HD   ARG  13          1HD       ARG  13   1.981  -1.071   6.131
   82   2HD   ARG  13          2HD       ARG  13   3.579  -0.439   6.479
   83    HE   ARG  13           HE       ARG  13   3.311  -2.663   8.161
   84   1HH1  ARG  13          1HH1      ARG  13   3.168  -2.089   4.693
   85   2HH1  ARG  13          2HH1      ARG  13   3.730  -3.674   4.278
   86   1HH2  ARG  13          1HH2      ARG  13   4.052  -4.755   7.615
   87   2HH2  ARG  13          2HH2      ARG  13   4.236  -5.200   5.951
   88    H    THR  14           H        THR  14   1.065   3.387   8.075
   89    HA   THR  14           HA       THR  14   1.453   3.796   5.322
   90    HB   THR  14           HB       THR  14   2.732   5.799   6.179
   91    HG1  THR  14           HG1      THR  14   2.966   5.827   8.540
   92   1HG2  THR  14          1HG2      THR  14   0.161   5.061   7.665
   93   2HG2  THR  14          2HG2      THR  14   0.941   6.654   7.812
   94   3HG2  THR  14          3HG2      THR  14   0.314   6.112   6.237
   95    H    ALA  15           H        ALA  15   4.090   4.850   5.165
   96    HA   ALA  15           HA       ALA  15   5.475   2.344   4.750
   97   1HB   ALA  15          1HB       ALA  15   5.399   4.081   2.991
   98   2HB   ALA  15          2HB       ALA  15   6.216   5.223   4.084
   99   3HB   ALA  15          3HB       ALA  15   7.069   3.767   3.520
  100    H    ASP  16           H        ASP  16   4.914   4.004   7.456
  101    HA   ASP  16           HA       ASP  16   7.693   3.848   8.323
  102   1HB   ASP  16          1HB       ASP  16   5.951   6.001   8.495
  103   2HB   ASP  16          2HB       ASP  16   5.727   5.253  10.063
  104    H    GLY  17           H        GLY  17   4.508   2.525   8.479
  105   1HA   GLY  17          1HA       GLY  17   3.992   0.533   9.553
  106   2HA   GLY  17          2HA       GLY  17   5.274   0.804  10.718
  107    H    ARG  18           H        ARG  18   3.866   3.798  10.456
  108    HA   ARG  18           HA       ARG  18   2.560   3.475  12.931
  109   1HB   ARG  18          1HB       ARG  18   2.663   5.841  10.992
  110   2HB   ARG  18          2HB       ARG  18   2.001   5.932  12.612
  111   1HG   ARG  18          1HG       ARG  18   4.246   5.156  13.513
  112   2HG   ARG  18          2HG       ARG  18   4.883   5.230  11.882
  113   1HD   ARG  18          1HD       ARG  18   5.468   7.366  12.569
  114   2HD   ARG  18          2HD       ARG  18   3.858   7.724  11.976
  115    HE   ARG  18           HE       ARG  18   3.313   7.051  14.561
  116   1HH1  ARG  18          1HH1      ARG  18   5.758   9.178  13.190
  117   2HH1  ARG  18          2HH1      ARG  18   5.816  10.215  14.577
  118   1HH2  ARG  18          1HH2      ARG  18   3.390   8.418  16.390
  119   2HH2  ARG  18          2HH2      ARG  18   4.461   9.779  16.409
  120    H    CYS  19           H        CYS  19   0.503   2.647  13.143
  121    HA   CYS  19           HA       CYS  19  -1.184   2.237  10.980
  122   1HB   CYS  19          1HB       CYS  19  -1.716   2.285  13.953
  123   2HB   CYS  19          2HB       CYS  19  -2.931   1.842  12.770
  124    H    LYS  20           H        LYS  20  -1.753   4.049   9.750
  125    HA   LYS  20           HA       LYS  20  -2.712   6.394  11.199
  126   1HB   LYS  20          1HB       LYS  20  -1.157   5.994   8.837
  127   2HB   LYS  20          2HB       LYS  20  -2.653   6.774   8.363
  128   1HG   LYS  20          1HG       LYS  20  -1.623   8.704   9.025
  129   2HG   LYS  20          2HG       LYS  20  -2.048   8.195  10.646
  130   1HD   LYS  20          1HD       LYS  20   0.135   7.915  11.200
  131   2HD   LYS  20          2HD       LYS  20   0.392   6.837   9.842
  132   1HE   LYS  20          1HE       LYS  20   1.746   8.485   9.024
  133   2HE   LYS  20          2HE       LYS  20   0.258   9.283   8.555
  134   1HZ   LYS  20          1HZ       LYS  20   1.416   9.645  11.220
  135   2HZ   LYS  20          2HZ       LYS  20   1.851  10.584   9.957
  136   3HZ   LYS  20          3HZ       LYS  20   0.301  10.575  10.472
  137    HA   PRO  21           HA       PRO  21  -6.818   5.763  10.009
  138   1HB   PRO  21          1HB       PRO  21  -7.734   8.199   9.177
  139   2HB   PRO  21          2HB       PRO  21  -7.534   7.776  10.866
  140   1HG   PRO  21          1HG       PRO  21  -5.847   9.524   9.180
  141   2HG   PRO  21          2HG       PRO  21  -5.920   9.424  10.928
  142   1HD   PRO  21          1HD       PRO  21  -3.883   8.331   9.232
  143   2HD   PRO  21          2HD       PRO  21  -4.019   8.132  10.966
  144    H    THR  22           H        THR  22  -8.252   5.049   8.446
  145    HA   THR  22           HA       THR  22  -7.101   5.320   5.752
  146    HB   THR  22           HB       THR  22  -9.053   3.219   6.815
  147    HG1  THR  22           HG1      THR  22  -6.794   3.539   7.856
  148   1HG2  THR  22          1HG2      THR  22  -8.149   3.744   4.209
  149   2HG2  THR  22          2HG2      THR  22  -7.010   2.509   4.797
  150   3HG2  THR  22          3HG2      THR  22  -8.758   2.176   4.791
  151    H    PHE  23           H        PHE  23  -9.178   6.984   7.562
  152    HA   PHE  23           HA       PHE  23 -11.285   7.040   5.534
  153   1HB   PHE  23          1HB       PHE  23 -12.427   8.394   7.392
  154   2HB   PHE  23          2HB       PHE  23 -12.020   6.759   7.869
  155    HD1  PHE  23           HD1      PHE  23 -10.494  10.169   7.899
  156    HD2  PHE  23           HD2      PHE  23 -10.987   6.465   9.908
  157    HE1  PHE  23           HE1      PHE  23  -9.208  11.062   9.861
  158    HE2  PHE  23           HE2      PHE  23  -9.701   7.358  11.870
  159    HZ   PHE  23           HZ       PHE  23  -8.827   9.645  11.823
  Start of MODEL   15
    1    H    GLU   1           H        GLU   1   2.288  -7.328  19.312
    2    HA   GLU   1           HA       GLU   1   1.594  -5.878  21.078
    3   1HB   GLU   1          1HB       GLU   1   2.983  -4.828  18.642
    4   2HB   GLU   1          2HB       GLU   1   2.488  -3.633  19.824
    5   1HG   GLU   1          1HG       GLU   1   3.605  -5.171  21.603
    6   2HG   GLU   1          2HG       GLU   1   4.330  -6.020  20.252
    7    H    ASN   2           H        ASN   2   0.619  -4.456  17.867
    8    HA   ASN   2           HA       ASN   2  -1.084  -2.596  18.864
    9   1HB   ASN   2          1HB       ASN   2  -0.379  -3.602  16.320
   10   2HB   ASN   2          2HB       ASN   2  -2.111  -3.858  16.392
   11   1HD2  ASN   2          2HD2      ASN   2   0.483  -1.526  16.510
   12   2HD2  ASN   2          1HD2      ASN   2  -0.452  -0.096  16.224
   13    H    PHE   3           H        PHE   3  -3.649  -2.709  18.341
   14    HA   PHE   3           HA       PHE   3  -4.898  -4.251  20.119
   15   1HB   PHE   3          1HB       PHE   3  -5.858  -2.435  18.622
   16   2HB   PHE   3          2HB       PHE   3  -5.805  -3.540  17.263
   17    HD1  PHE   3           HD1      PHE   3  -7.303  -5.548  17.259
   18    HD2  PHE   3           HD2      PHE   3  -7.661  -2.477  20.166
   19    HE1  PHE   3           HE1      PHE   3  -9.618  -6.344  17.816
   20    HE2  PHE   3           HE2      PHE   3  -9.975  -3.273  20.722
   21    HZ   PHE   3           HZ       PHE   3 -10.926  -5.198  19.542
   22    H    ASN   4           H        ASN   4  -4.907  -5.131  16.586
   23    HA   ASN   4           HA       ASN   4  -5.386  -7.857  17.420
   24   1HB   ASN   4          1HB       ASN   4  -5.780  -8.186  14.899
   25   2HB   ASN   4          2HB       ASN   4  -6.906  -7.104  15.695
   26   1HD2  ASN   4          2HD2      ASN   4  -7.343  -5.359  14.606
   27   2HD2  ASN   4          1HD2      ASN   4  -6.287  -4.472  13.559
   28    H    GLY   5           H        GLY   5  -2.752  -5.948  17.083
   29   1HA   GLY   5          1HA       GLY   5  -0.593  -6.979  17.134
   30   2HA   GLY   5          2HA       GLY   5  -1.114  -8.097  15.891
   31    H    GLY   6           H        GLY   6  -2.632  -5.725  14.543
   32   1HA   GLY   6          1HA       GLY   6  -0.241  -4.559  13.249
   33   2HA   GLY   6          2HA       GLY   6  -1.729  -4.970  12.419
   34    H    CYS   7           H        CYS   7  -3.794  -3.842  13.254
   35    HA   CYS   7           HA       CYS   7  -3.119  -1.181  14.265
   36   1HB   CYS   7          1HB       CYS   7  -4.678  -1.906  11.812
   37   2HB   CYS   7          2HB       CYS   7  -5.115  -0.470  12.714
   38    H    LEU   8           H        LEU   8  -5.512  -0.085  14.749
   39    HA   LEU   8           HA       LEU   8  -6.607  -1.775  16.765
   40   1HB   LEU   8          1HB       LEU   8  -6.362   0.540  17.218
   41   2HB   LEU   8          2HB       LEU   8  -7.233   0.998  15.770
   42    HG   LEU   8           HG       LEU   8  -9.308   0.012  16.741
   43   1HD1  LEU   8          1HD1      LEU   8  -7.522  -1.171  18.563
   44   2HD1  LEU   8          2HD1      LEU   8  -8.478   0.000  19.502
   45   3HD1  LEU   8          3HD1      LEU   8  -9.300  -1.264  18.555
   46   1HD2  LEU   8          1HD2      LEU   8  -7.851   2.313  17.981
   47   2HD2  LEU   8          2HD2      LEU   8  -9.315   2.292  16.968
   48   3HD2  LEU   8          3HD2      LEU   8  -9.407   1.797  18.675
   49    H    ALA   9           H        ALA   9  -7.912  -0.277  13.722
   50    HA   ALA   9           HA       ALA   9  -9.109  -2.401  12.644
   51   1HB   ALA   9          1HB       ALA   9 -10.607  -1.503  15.071
   52   2HB   ALA   9          2HB       ALA   9 -11.569  -1.900  13.627
   53   3HB   ALA   9          3HB       ALA   9 -10.483  -3.120  14.336
   54    H    GLY  10           H        GLY  10  -8.686  -1.145  10.806
   55   1HA   GLY  10          1HA       GLY  10 -10.142   0.069   9.236
   56   2HA   GLY  10          2HA       GLY  10 -10.411   1.243  10.509
   57    H    TYR  11           H        TYR  11  -7.656   1.227  11.568
   58    HA   TYR  11           HA       TYR  11  -6.560   3.188   9.876
   59   1HB   TYR  11          1HB       TYR  11  -5.444   1.402  12.127
   60   2HB   TYR  11          2HB       TYR  11  -4.612   2.824  11.532
   61    HD1  TYR  11           HD1      TYR  11  -7.478   1.609  13.495
   62    HD2  TYR  11           HD2      TYR  11  -5.383   5.069  12.102
   63    HE1  TYR  11           HE1      TYR  11  -8.738   3.053  15.165
   64    HE2  TYR  11           HE2      TYR  11  -6.650   6.502  13.777
   65    HH   TYR  11           HH       TYR  11  -7.821   6.324  15.770
   66    H    MET  12           H        MET  12  -4.528   3.162   8.702
   67    HA   MET  12           HA       MET  12  -3.949   0.482   7.703
   68   1HB   MET  12          1HB       MET  12  -2.971   1.949   5.723
   69   2HB   MET  12          2HB       MET  12  -4.709   1.759   5.844
   70   1HG   MET  12          1HG       MET  12  -4.959   3.938   6.910
   71   2HG   MET  12          2HG       MET  12  -3.228   4.100   7.127
   72   1HE   MET  12          1HE       MET  12  -3.555   6.228   6.411
   73   2HE   MET  12          2HE       MET  12  -2.467   6.377   5.009
   74   3HE   MET  12          3HE       MET  12  -4.186   6.813   4.852
   75    H    ARG  13           H        ARG  13  -1.653   0.050   7.061
   76    HA   ARG  13           HA       ARG  13   0.075   1.348   8.978
   77   1HB   ARG  13          1HB       ARG  13   0.439  -1.189   7.305
   78   2HB   ARG  13          2HB       ARG  13   1.635  -0.586   8.435
   79   1HG   ARG  13          1HG       ARG  13  -0.894  -0.664   9.816
   80   2HG   ARG  13          2HG       ARG  13  -0.703  -2.195   8.985
   81   1HD   ARG  13          1HD       ARG  13   1.847  -1.773  10.048
   82   2HD   ARG  13          2HD       ARG  13   0.807  -1.107  11.292
   83    HE   ARG  13           HE       ARG  13   0.263  -3.296  11.859
   84   1HH1  ARG  13          1HH1      ARG  13   1.016  -3.204   8.422
   85   2HH1  ARG  13          2HH1      ARG  13   0.764  -4.902   8.191
   86   1HH2  ARG  13          1HH2      ARG  13  -0.069  -5.536  11.554
   87   2HH2  ARG  13          2HH2      ARG  13   0.143  -6.237   9.985
   88    H    THR  14           H        THR  14   1.027   3.189   8.110
   89    HA   THR  14           HA       THR  14   1.476   3.532   5.349
   90    HB   THR  14           HB       THR  14   2.876   5.508   6.314
   91    HG1  THR  14           HG1      THR  14   3.179   4.158   8.350
   92   1HG2  THR  14          1HG2      THR  14  -0.027   4.986   7.093
   93   2HG2  THR  14          2HG2      THR  14   0.796   6.496   7.549
   94   3HG2  THR  14          3HG2      THR  14   0.591   6.078   5.832
   95    H    ALA  15           H        ALA  15   4.054   4.548   5.092
   96    HA   ALA  15           HA       ALA  15   5.496   2.047   4.925
   97   1HB   ALA  15          1HB       ALA  15   5.685   4.802   3.752
   98   2HB   ALA  15          2HB       ALA  15   7.170   3.824   3.834
   99   3HB   ALA  15          3HB       ALA  15   5.751   3.213   2.951
  100    H    ASP  16           H        ASP  16   4.897   3.939   7.459
  101    HA   ASP  16           HA       ASP  16   7.682   3.980   8.317
  102   1HB   ASP  16          1HB       ASP  16   5.311   5.736   8.848
  103   2HB   ASP  16          2HB       ASP  16   6.368   5.452  10.217
  104    H    GLY  17           H        GLY  17   4.464   2.655   8.720
  105   1HA   GLY  17          1HA       GLY  17   4.104   0.663   9.911
  106   2HA   GLY  17          2HA       GLY  17   5.385   1.088  11.030
  107    H    ARG  18           H        ARG  18   3.758   3.961  10.483
  108    HA   ARG  18           HA       ARG  18   2.474   3.737  13.010
  109   1HB   ARG  18          1HB       ARG  18   2.378   6.073  11.039
  110   2HB   ARG  18          2HB       ARG  18   2.048   6.144  12.759
  111   1HG   ARG  18          1HG       ARG  18   4.308   5.957  13.351
  112   2HG   ARG  18          2HG       ARG  18   4.731   5.072  11.899
  113   1HD   ARG  18          1HD       ARG  18   5.547   7.049  11.106
  114   2HD   ARG  18          2HD       ARG  18   3.875   7.514  10.859
  115    HE   ARG  18           HE       ARG  18   4.666   8.006  13.600
  116   1HH1  ARG  18          1HH1      ARG  18   4.985   9.287  10.338
  117   2HH1  ARG  18          2HH1      ARG  18   5.241  10.917  10.866
  118   1HH2  ARG  18          1HH2      ARG  18   5.003  10.156  14.297
  119   2HH2  ARG  18          2HH2      ARG  18   5.251  11.414  13.133
  120    H    CYS  19           H        CYS  19   0.445   2.825  13.169
  121    HA   CYS  19           HA       CYS  19  -1.192   2.334  11.005
  122   1HB   CYS  19          1HB       CYS  19  -1.707   2.450  13.968
  123   2HB   CYS  19          2HB       CYS  19  -2.993   2.094  12.833
  124    H    LYS  20           H        LYS  20  -1.688   4.114   9.682
  125    HA   LYS  20           HA       LYS  20  -2.662   6.529  10.972
  126   1HB   LYS  20          1HB       LYS  20  -1.388   5.838   8.418
  127   2HB   LYS  20          2HB       LYS  20  -2.736   6.943   8.238
  128   1HG   LYS  20          1HG       LYS  20  -1.633   8.214  10.286
  129   2HG   LYS  20          2HG       LYS  20  -0.195   7.312   9.851
  130   1HD   LYS  20          1HD       LYS  20  -1.003   8.241   7.374
  131   2HD   LYS  20          2HD       LYS  20  -1.536   9.550   8.410
  132   1HE   LYS  20          1HE       LYS  20   0.594  10.290   8.681
  133   2HE   LYS  20          2HE       LYS  20   1.126   8.714   9.232
  134   1HZ   LYS  20          1HZ       LYS  20   1.148   8.082   6.831
  135   2HZ   LYS  20          2HZ       LYS  20   0.954   9.662   6.465
  136   3HZ   LYS  20          3HZ       LYS  20   2.283   9.170   7.276
  137    HA   PRO  21           HA       PRO  21  -6.810   5.824   9.996
  138   1HB   PRO  21          1HB       PRO  21  -7.759   8.232   9.117
  139   2HB   PRO  21          2HB       PRO  21  -7.491   7.867  10.811
  140   1HG   PRO  21          1HG       PRO  21  -5.874   9.553   8.998
  141   2HG   PRO  21          2HG       PRO  21  -5.877   9.515  10.750
  142   1HD   PRO  21          1HD       PRO  21  -3.909   8.360   9.010
  143   2HD   PRO  21          2HD       PRO  21  -3.975   8.223  10.756
  144    H    THR  22           H        THR  22  -8.299   5.050   8.520
  145    HA   THR  22           HA       THR  22  -7.285   5.275   5.764
  146    HB   THR  22           HB       THR  22  -9.062   3.108   6.995
  147    HG1  THR  22           HG1      THR  22  -6.812   3.479   7.926
  148   1HG2  THR  22          1HG2      THR  22  -7.442   3.418   4.432
  149   2HG2  THR  22          2HG2      THR  22  -7.792   1.807   5.104
  150   3HG2  THR  22          3HG2      THR  22  -9.128   2.875   4.612
  151    H    PHE  23           H        PHE  23  -9.341   6.880   7.651
  152    HA   PHE  23           HA       PHE  23 -11.569   6.769   5.763
  153   1HB   PHE  23          1HB       PHE  23 -12.630   8.178   7.639
  154   2HB   PHE  23          2HB       PHE  23 -12.144   6.574   8.147
  155    HD1  PHE  23           HD1      PHE  23 -10.720  10.023   7.948
  156    HD2  PHE  23           HD2      PHE  23 -10.966   6.384  10.118
  157    HE1  PHE  23           HE1      PHE  23  -9.331  11.024   9.784
  158    HE2  PHE  23           HE2      PHE  23  -9.578   7.385  11.954
  159    HZ   PHE  23           HZ       PHE  23  -8.776   9.694  11.765
  Start of MODEL   16
    1    H    GLU   1           H        GLU   1 -10.383 -14.843  13.018
    2    HA   GLU   1           HA       GLU   1  -9.400 -12.928  11.983
    3   1HB   GLU   1          1HB       GLU   1 -10.587 -13.017  14.540
    4   2HB   GLU   1          2HB       GLU   1  -9.213 -11.948  14.741
    5   1HG   GLU   1          1HG       GLU   1 -10.863 -10.449  14.011
    6   2HG   GLU   1          2HG       GLU   1 -10.049 -10.828  12.506
    7    H    ASN   2           H        ASN   2  -7.493 -11.979  11.366
    8    HA   ASN   2           HA       ASN   2  -5.229 -12.446  13.145
    9   1HB   ASN   2          1HB       ASN   2  -5.302 -12.341  10.084
   10   2HB   ASN   2          2HB       ASN   2  -3.819 -12.400  11.017
   11   1HD2  ASN   2          2HD2      ASN   2  -4.000 -14.329   9.325
   12   2HD2  ASN   2          1HD2      ASN   2  -4.451 -15.851  10.017
   13    H    PHE   3           H        PHE   3  -3.908 -10.591  13.549
   14    HA   PHE   3           HA       PHE   3  -5.048  -8.087  13.175
   15   1HB   PHE   3          1HB       PHE   3  -2.592  -7.417  13.819
   16   2HB   PHE   3          2HB       PHE   3  -3.447  -8.446  14.951
   17    HD1  PHE   3           HD1      PHE   3  -1.362  -8.897  11.875
   18    HD2  PHE   3           HD2      PHE   3  -2.218 -10.175  15.830
   19    HE1  PHE   3           HE1      PHE   3   0.485 -10.591  11.728
   20    HE2  PHE   3           HE2      PHE   3  -0.371 -11.869  15.683
   21    HZ   PHE   3           HZ       PHE   3   0.958 -12.056  13.634
   22    H    ASN   4           H        ASN   4  -4.008  -6.185  12.034
   23    HA   ASN   4           HA       ASN   4  -3.091  -7.105   9.428
   24   1HB   ASN   4          1HB       ASN   4  -5.223  -5.848   9.352
   25   2HB   ASN   4          2HB       ASN   4  -4.522  -4.532  10.272
   26   1HD2  ASN   4          2HD2      ASN   4  -3.839  -2.863   9.180
   27   2HD2  ASN   4          1HD2      ASN   4  -3.334  -2.823   7.523
   28    H    GLY   5           H        GLY   5  -1.109  -7.037  11.349
   29   1HA   GLY   5          1HA       GLY   5   1.074  -6.154  11.079
   30   2HA   GLY   5          2HA       GLY   5   0.391  -4.595  10.661
   31    H    GLY   6           H        GLY   6  -1.657  -4.504  12.760
   32   1HA   GLY   6          1HA       GLY   6  -1.365  -4.907  15.262
   33   2HA   GLY   6          2HA       GLY   6   0.123  -4.003  15.058
   34    H    CYS   7           H        CYS   7  -3.230  -3.615  13.694
   35    HA   CYS   7           HA       CYS   7  -3.107  -0.845  14.638
   36   1HB   CYS   7          1HB       CYS   7  -4.423  -2.102  12.242
   37   2HB   CYS   7          2HB       CYS   7  -4.986  -0.570  12.879
   38    H    LEU   8           H        LEU   8  -5.653  -0.058  14.815
   39    HA   LEU   8           HA       LEU   8  -6.722  -1.775  16.871
   40   1HB   LEU   8          1HB       LEU   8  -6.584   0.544  17.361
   41   2HB   LEU   8          2HB       LEU   8  -7.392   0.986  15.870
   42    HG   LEU   8           HG       LEU   8  -9.481  -0.065  16.708
   43   1HD1  LEU   8          1HD1      LEU   8  -7.915  -1.445  18.440
   44   2HD1  LEU   8          2HD1      LEU   8  -8.528  -0.156  19.504
   45   3HD1  LEU   8          3HD1      LEU   8  -9.669  -1.211  18.636
   46   1HD2  LEU   8          1HD2      LEU   8  -8.152   2.262  17.994
   47   2HD2  LEU   8          2HD2      LEU   8  -9.658   2.168  17.049
   48   3HD2  LEU   8          3HD2      LEU   8  -9.642   1.656  18.754
   49    H    ALA   9           H        ALA   9  -7.893  -0.282  13.772
   50    HA   ALA   9           HA       ALA   9  -8.948  -2.436  12.604
   51   1HB   ALA   9          1HB       ALA   9 -10.502  -1.757  15.010
   52   2HB   ALA   9          2HB       ALA   9 -11.492  -1.835  13.532
   53   3HB   ALA   9          3HB       ALA   9 -10.514  -3.239  14.023
   54    H    GLY  10           H        GLY  10  -8.646  -1.307  10.711
   55   1HA   GLY  10          1HA       GLY  10 -10.011  -0.080   9.114
   56   2HA   GLY  10          2HA       GLY  10 -10.324   1.107  10.366
   57    H    TYR  11           H        TYR  11  -7.673   1.261  11.525
   58    HA   TYR  11           HA       TYR  11  -6.536   3.210   9.936
   59   1HB   TYR  11          1HB       TYR  11  -5.424   1.247  12.034
   60   2HB   TYR  11          2HB       TYR  11  -4.526   2.652  11.496
   61    HD1  TYR  11           HD1      TYR  11  -5.628   4.975  11.839
   62    HD2  TYR  11           HD2      TYR  11  -6.946   1.419  13.820
   63    HE1  TYR  11           HE1      TYR  11  -6.777   6.382  13.618
   64    HE2  TYR  11           HE2      TYR  11  -8.090   2.838  15.592
   65    HH   TYR  11           HH       TYR  11  -7.406   5.815  16.231
   66    H    MET  12           H        MET  12  -4.490   3.268   8.756
   67    HA   MET  12           HA       MET  12  -3.989   0.692   7.482
   68   1HB   MET  12          1HB       MET  12  -2.976   2.328   5.660
   69   2HB   MET  12          2HB       MET  12  -4.719   2.185   5.776
   70   1HG   MET  12          1HG       MET  12  -4.874   4.240   7.100
   71   2HG   MET  12          2HG       MET  12  -3.132   4.332   7.259
   72   1HE   MET  12          1HE       MET  12  -2.455   6.257   6.476
   73   2HE   MET  12          2HE       MET  12  -2.606   6.960   4.848
   74   3HE   MET  12          3HE       MET  12  -3.943   7.118   6.012
   75    H    ARG  13           H        ARG  13  -1.690   0.328   6.716
   76    HA   ARG  13           HA       ARG  13   0.074   1.311   8.785
   77   1HB   ARG  13          1HB       ARG  13  -0.247  -1.206   7.363
   78   2HB   ARG  13          2HB       ARG  13   1.387  -0.626   7.114
   79   1HG   ARG  13          1HG       ARG  13   0.879  -0.154   9.860
   80   2HG   ARG  13          2HG       ARG  13   0.159  -1.720   9.544
   81   1HD   ARG  13          1HD       ARG  13   2.227  -2.670   8.822
   82   2HD   ARG  13          2HD       ARG  13   2.955  -1.103   8.529
   83    HE   ARG  13           HE       ARG  13   2.501  -0.942  11.204
   84   1HH1  ARG  13          1HH1      ARG  13   3.881  -3.536   9.268
   85   2HH1  ARG  13          2HH1      ARG  13   4.884  -4.131  10.548
   86   1HH2  ARG  13          1HH2      ARG  13   3.824  -1.726  12.894
   87   2HH2  ARG  13          2HH2      ARG  13   4.852  -3.094  12.625
   88    H    THR  14           H        THR  14   1.123   3.198   8.192
   89    HA   THR  14           HA       THR  14   1.527   3.948   5.504
   90    HB   THR  14           HB       THR  14   2.903   5.762   6.630
   91    HG1  THR  14           HG1      THR  14   3.169   5.477   8.923
   92   1HG2  THR  14          1HG2      THR  14   0.262   5.702   6.667
   93   2HG2  THR  14          2HG2      THR  14   0.466   5.226   8.371
   94   3HG2  THR  14          3HG2      THR  14   1.099   6.788   7.802
   95    H    ALA  15           H        ALA  15   4.182   4.902   5.437
   96    HA   ALA  15           HA       ALA  15   5.480   2.424   4.728
   97   1HB   ALA  15          1HB       ALA  15   5.399   4.971   3.659
   98   2HB   ALA  15          2HB       ALA  15   6.982   4.952   4.474
   99   3HB   ALA  15          3HB       ALA  15   6.598   3.722   3.246
  100    H    ASP  16           H        ASP  16   5.023   3.990   7.599
  101    HA   ASP  16           HA       ASP  16   7.734   3.362   8.470
  102   1HB   ASP  16          1HB       ASP  16   5.985   5.652   8.945
  103   2HB   ASP  16          2HB       ASP  16   6.387   4.889  10.471
  104    H    GLY  17           H        GLY  17   4.441   2.452   8.469
  105   1HA   GLY  17          1HA       GLY  17   3.645   0.513   9.474
  106   2HA   GLY  17          2HA       GLY  17   4.864   0.637  10.727
  107    H    ARG  18           H        ARG  18   3.909   3.763  10.522
  108    HA   ARG  18           HA       ARG  18   2.505   3.673  12.891
  109   1HB   ARG  18          1HB       ARG  18   2.529   5.880  10.769
  110   2HB   ARG  18          2HB       ARG  18   2.038   6.096  12.437
  111   1HG   ARG  18          1HG       ARG  18   4.795   5.023  11.713
  112   2HG   ARG  18          2HG       ARG  18   4.477   6.743  11.810
  113   1HD   ARG  18          1HD       ARG  18   3.586   6.355  14.182
  114   2HD   ARG  18          2HD       ARG  18   4.154   4.702  14.059
  115    HE   ARG  18           HE       ARG  18   6.338   5.463  14.385
  116   1HH1  ARG  18          1HH1      ARG  18   4.340   8.162  13.334
  117   2HH1  ARG  18          2HH1      ARG  18   5.591   9.340  13.557
  118   1HH2  ARG  18          1HH2      ARG  18   7.988   7.016  14.680
  119   2HH2  ARG  18          2HH2      ARG  18   7.679   8.684  14.328
  120    H    CYS  19           H        CYS  19   0.462   2.827  13.176
  121    HA   CYS  19           HA       CYS  19  -1.289   2.348  11.075
  122   1HB   CYS  19          1HB       CYS  19  -1.737   2.498  14.058
  123   2HB   CYS  19          2HB       CYS  19  -2.982   2.015  12.924
  124    H    LYS  20           H        LYS  20  -1.900   4.114   9.805
  125    HA   LYS  20           HA       LYS  20  -2.840   6.495  11.221
  126   1HB   LYS  20          1HB       LYS  20  -1.289   6.054   8.841
  127   2HB   LYS  20          2HB       LYS  20  -2.761   6.898   8.406
  128   1HG   LYS  20          1HG       LYS  20  -1.555   8.750   9.048
  129   2HG   LYS  20          2HG       LYS  20  -2.130   8.307  10.643
  130   1HD   LYS  20          1HD       LYS  20   0.181   6.710  10.235
  131   2HD   LYS  20          2HD       LYS  20   0.605   8.285   9.594
  132   1HE   LYS  20          1HE       LYS  20  -0.750   8.049  12.304
  133   2HE   LYS  20          2HE       LYS  20   0.979   7.809  12.157
  134   1HZ   LYS  20          1HZ       LYS  20   0.409  10.078  10.738
  135   2HZ   LYS  20          2HZ       LYS  20  -0.459  10.211  12.115
  136   3HZ   LYS  20          3HZ       LYS  20   1.157   9.988  12.187
  137    HA   PRO  21           HA       PRO  21  -6.924   5.877   9.944
  138   1HB   PRO  21          1HB       PRO  21  -7.794   8.265   8.941
  139   2HB   PRO  21          2HB       PRO  21  -7.635   7.947  10.657
  140   1HG   PRO  21          1HG       PRO  21  -5.893   9.568   8.904
  141   2HG   PRO  21          2HG       PRO  21  -6.006   9.580  10.653
  142   1HD   PRO  21          1HD       PRO  21  -3.944   8.361   9.074
  143   2HD   PRO  21          2HD       PRO  21  -4.121   8.274  10.816
  144    H    THR  22           H        THR  22  -8.311   5.054   8.403
  145    HA   THR  22           HA       THR  22  -7.169   5.270   5.695
  146    HB   THR  22           HB       THR  22  -8.832   3.004   6.907
  147    HG1  THR  22           HG1      THR  22  -6.789   3.141   7.981
  148   1HG2  THR  22          1HG2      THR  22  -7.136   3.339   4.387
  149   2HG2  THR  22          2HG2      THR  22  -7.544   1.739   5.052
  150   3HG2  THR  22          3HG2      THR  22  -8.837   2.825   4.491
  151    H    PHE  23           H        PHE  23  -9.394   6.760   7.476
  152    HA   PHE  23           HA       PHE  23 -11.495   6.525   5.450
  153   1HB   PHE  23          1HB       PHE  23 -12.790   7.765   7.320
  154   2HB   PHE  23          2HB       PHE  23 -12.262   6.148   7.743
  155    HD1  PHE  23           HD1      PHE  23 -11.121   9.693   7.975
  156    HD2  PHE  23           HD2      PHE  23 -11.122   5.831   9.732
  157    HE1  PHE  23           HE1      PHE  23  -9.935  10.609   9.988
  158    HE2  PHE  23           HE2      PHE  23  -9.935   6.747  11.745
  159    HZ   PHE  23           HZ       PHE  23  -9.356   9.125  11.849
  Start of MODEL   17
    1    H    GLU   1           H        GLU   1  -5.293 -10.665   0.973
    2    HA   GLU   1           HA       GLU   1  -5.613 -10.767   3.338
    3   1HB   GLU   1          1HB       GLU   1  -3.556 -11.855   2.026
    4   2HB   GLU   1          2HB       GLU   1  -2.614 -10.749   3.006
    5   1HG   GLU   1          1HG       GLU   1  -3.227 -11.786   5.026
    6   2HG   GLU   1          2HG       GLU   1  -4.729 -12.411   4.376
    7    H    ASN   2           H        ASN   2  -6.288  -8.305   3.515
    8    HA   ASN   2           HA       ASN   2  -4.599  -6.307   4.037
    9   1HB   ASN   2          1HB       ASN   2  -6.393  -5.402   5.578
   10   2HB   ASN   2          2HB       ASN   2  -7.035  -5.997   4.061
   11   1HD2  ASN   2          2HD2      ASN   2  -7.784  -5.810   7.115
   12   2HD2  ASN   2          1HD2      ASN   2  -8.603  -7.305   7.421
   13    H    PHE   3           H        PHE   3  -4.254  -5.278   6.406
   14    HA   PHE   3           HA       PHE   3  -3.225  -7.443   8.097
   15   1HB   PHE   3          1HB       PHE   3  -2.284  -4.808   7.106
   16   2HB   PHE   3          2HB       PHE   3  -2.171  -4.898   8.852
   17    HD1  PHE   3           HD1      PHE   3  -1.074  -6.511   5.713
   18    HD2  PHE   3           HD2      PHE   3  -0.480  -6.185   9.902
   19    HE1  PHE   3           HE1      PHE   3   1.076  -7.790   5.508
   20    HE2  PHE   3           HE2      PHE   3   1.670  -7.463   9.697
   21    HZ   PHE   3           HZ       PHE   3   2.422  -8.250   7.502
   22    H    ASN   4           H        ASN   4  -3.141  -6.857  10.508
   23    HA   ASN   4           HA       ASN   4  -4.658  -4.863  11.579
   24   1HB   ASN   4          1HB       ASN   4  -6.389  -6.684  10.368
   25   2HB   ASN   4          2HB       ASN   4  -6.336  -7.291  12.011
   26   1HD2  ASN   4          2HD2      ASN   4  -6.371  -5.443  13.710
   27   2HD2  ASN   4          1HD2      ASN   4  -7.616  -4.256  13.511
   28    H    GLY   5           H        GLY   5  -2.204  -6.278  12.049
   29   1HA   GLY   5          1HA       GLY   5  -2.772  -7.817  14.509
   30   2HA   GLY   5          2HA       GLY   5  -1.374  -8.036  13.475
   31    H    GLY   6           H        GLY   6  -2.832  -4.889  14.464
   32   1HA   GLY   6          1HA       GLY   6  -1.094  -4.346  16.603
   33   2HA   GLY   6          2HA       GLY   6  -0.371  -3.729  15.131
   34    H    CYS   7           H        CYS   7  -2.877  -3.129  13.717
   35    HA   CYS   7           HA       CYS   7  -3.322  -0.569  14.831
   36   1HB   CYS   7          1HB       CYS   7  -4.781  -1.997  12.598
   37   2HB   CYS   7          2HB       CYS   7  -4.929  -0.296  12.989
   38    H    LEU   8           H        LEU   8  -5.995  -0.006  14.721
   39    HA   LEU   8           HA       LEU   8  -7.032  -1.661  16.879
   40   1HB   LEU   8          1HB       LEU   8  -6.963   0.662  17.348
   41   2HB   LEU   8          2HB       LEU   8  -7.719   1.075  15.821
   42    HG   LEU   8           HG       LEU   8  -9.822   0.009  16.584
   43   1HD1  LEU   8          1HD1      LEU   8  -8.265  -1.312  18.413
   44   2HD1  LEU   8          2HD1      LEU   8  -9.059  -0.075  19.417
   45   3HD1  LEU   8          3HD1      LEU   8 -10.042  -1.202  18.452
   46   1HD2  LEU   8          1HD2      LEU   8  -8.583   2.304  18.058
   47   2HD2  LEU   8          2HD2      LEU   8  -9.917   2.286  16.879
   48   3HD2  LEU   8          3HD2      LEU   8 -10.192   1.715  18.543
   49    H    ALA   9           H        ALA   9  -8.116  -0.236  13.717
   50    HA   ALA   9           HA       ALA   9  -9.090  -2.428  12.547
   51   1HB   ALA   9          1HB       ALA   9 -10.912  -1.538  14.762
   52   2HB   ALA   9          2HB       ALA   9 -11.645  -2.108  13.243
   53   3HB   ALA   9          3HB       ALA   9 -10.561  -3.178  14.166
   54    H    GLY  10           H        GLY  10  -8.804  -1.376  10.621
   55   1HA   GLY  10          1HA       GLY  10 -10.119  -0.184   8.970
   56   2HA   GLY  10          2HA       GLY  10 -10.474   1.027  10.186
   57    H    TYR  11           H        TYR  11  -7.789   1.117  11.391
   58    HA   TYR  11           HA       TYR  11  -6.639   3.044   9.711
   59   1HB   TYR  11          1HB       TYR  11  -5.634   1.313  12.053
   60   2HB   TYR  11          2HB       TYR  11  -4.739   2.693  11.449
   61    HD1  TYR  11           HD1      TYR  11  -7.760   1.627  13.277
   62    HD2  TYR  11           HD2      TYR  11  -5.441   4.966  11.942
   63    HE1  TYR  11           HE1      TYR  11  -9.058   3.161  14.834
   64    HE2  TYR  11           HE2      TYR  11  -6.747   6.488  13.504
   65    HH   TYR  11           HH       TYR  11  -9.558   5.870  14.687
   66    H    MET  12           H        MET  12  -4.514   3.028   8.674
   67    HA   MET  12           HA       MET  12  -3.813   0.334   7.793
   68   1HB   MET  12          1HB       MET  12  -2.936   1.677   5.708
   69   2HB   MET  12          2HB       MET  12  -4.668   1.460   5.862
   70   1HG   MET  12          1HG       MET  12  -4.885   3.716   6.890
   71   2HG   MET  12          2HG       MET  12  -3.147   3.933   6.823
   72   1HE   MET  12          1HE       MET  12  -2.691   5.818   5.361
   73   2HE   MET  12          2HE       MET  12  -3.654   6.281   3.938
   74   3HE   MET  12          3HE       MET  12  -4.407   6.247   5.551
   75    H    ARG  13           H        ARG  13  -1.464   0.108   7.074
   76    HA   ARG  13           HA       ARG  13   0.143   1.585   8.972
   77   1HB   ARG  13          1HB       ARG  13   0.028  -1.128   8.355
   78   2HB   ARG  13          2HB       ARG  13   1.423  -0.616   7.427
   79   1HG   ARG  13          1HG       ARG  13   2.438  -1.093   9.473
   80   2HG   ARG  13          2HG       ARG  13   2.125   0.619   9.672
   81   1HD   ARG  13          1HD       ARG  13   1.109  -0.037  11.625
   82   2HD   ARG  13          2HD       ARG  13  -0.255  -0.395  10.585
   83    HE   ARG  13           HE       ARG  13   0.053  -2.633  11.136
   84   1HH1  ARG  13          1HH1      ARG  13   3.183  -1.029  11.255
   85   2HH1  ARG  13          2HH1      ARG  13   4.041  -2.458  11.727
   86   1HH2  ARG  13          1HH2      ARG  13   1.184  -4.518  11.758
   87   2HH2  ARG  13          2HH2      ARG  13   2.895  -4.456  12.015
   88    H    THR  14           H        THR  14   0.985   3.454   8.071
   89    HA   THR  14           HA       THR  14   1.326   3.875   5.337
   90    HB   THR  14           HB       THR  14   2.438   5.921   6.091
   91    HG1  THR  14           HG1      THR  14   3.718   5.703   7.887
   92   1HG2  THR  14          1HG2      THR  14   0.001   4.991   7.356
   93   2HG2  THR  14          2HG2      THR  14   0.967   5.868   8.567
   94   3HG2  THR  14          3HG2      THR  14   0.505   6.670   7.047
   95    H    ALA  15           H        ALA  15   4.023   4.970   5.261
   96    HA   ALA  15           HA       ALA  15   5.372   2.455   4.706
   97   1HB   ALA  15          1HB       ALA  15   5.184   4.985   3.448
   98   2HB   ALA  15          2HB       ALA  15   6.861   4.850   4.028
   99   3HB   ALA  15          3HB       ALA  15   6.187   3.600   2.953
  100    H    ASP  16           H        ASP  16   4.888   4.076   7.442
  101    HA   ASP  16           HA       ASP  16   7.698   3.987   8.209
  102   1HB   ASP  16          1HB       ASP  16   5.520   5.861   8.757
  103   2HB   ASP  16          2HB       ASP  16   6.155   5.225  10.262
  104    H    GLY  17           H        GLY  17   4.510   2.614   8.522
  105   1HA   GLY  17          1HA       GLY  17   4.157   0.525   9.521
  106   2HA   GLY  17          2HA       GLY  17   5.458   0.832  10.654
  107    H    ARG  18           H        ARG  18   3.775   3.734  10.389
  108    HA   ARG  18           HA       ARG  18   2.563   3.269  12.923
  109   1HB   ARG  18          1HB       ARG  18   2.247   5.650  13.003
  110   2HB   ARG  18          2HB       ARG  18   3.779   5.422  12.184
  111   1HG   ARG  18          1HG       ARG  18   2.306   5.434   9.979
  112   2HG   ARG  18          2HG       ARG  18   1.100   6.199  10.995
  113   1HD   ARG  18          1HD       ARG  18   3.935   7.271  11.013
  114   2HD   ARG  18          2HD       ARG  18   2.877   7.680   9.677
  115    HE   ARG  18           HE       ARG  18   1.517   8.961  11.138
  116   1HH1  ARG  18          1HH1      ARG  18   3.966   7.191  12.942
  117   2HH1  ARG  18          2HH1      ARG  18   3.705   8.074  14.409
  118   1HH2  ARG  18          1HH2      ARG  18   1.173  10.125  13.073
  119   2HH2  ARG  18          2HH2      ARG  18   2.106   9.754  14.485
  120    H    CYS  19           H        CYS  19   0.468   2.559  13.178
  121    HA   CYS  19           HA       CYS  19  -1.200   2.145  10.982
  122   1HB   CYS  19          1HB       CYS  19  -1.776   2.159  13.948
  123   2HB   CYS  19          2HB       CYS  19  -2.946   1.685  12.733
  124    H    LYS  20           H        LYS  20  -1.704   4.013   9.789
  125    HA   LYS  20           HA       LYS  20  -2.694   6.315  11.280
  126   1HB   LYS  20          1HB       LYS  20  -1.176   5.931   8.854
  127   2HB   LYS  20          2HB       LYS  20  -2.627   6.848   8.501
  128   1HG   LYS  20          1HG       LYS  20  -2.086   8.399  10.411
  129   2HG   LYS  20          2HG       LYS  20  -0.610   7.500  10.702
  130   1HD   LYS  20          1HD       LYS  20   0.482   8.564   9.014
  131   2HD   LYS  20          2HD       LYS  20  -0.811   8.236   7.877
  132   1HE   LYS  20          1HE       LYS  20  -1.307  10.354   9.963
  133   2HE   LYS  20          2HE       LYS  20  -0.197  10.746   8.665
  134   1HZ   LYS  20          1HZ       LYS  20  -2.064   9.805   7.202
  135   2HZ   LYS  20          2HZ       LYS  20  -3.025  10.082   8.493
  136   3HZ   LYS  20          3HZ       LYS  20  -2.212  11.317   7.800
  137    HA   PRO  21           HA       PRO  21  -6.787   5.728  10.023
  138   1HB   PRO  21          1HB       PRO  21  -7.681   8.183   9.221
  139   2HB   PRO  21          2HB       PRO  21  -7.504   7.731  10.905
  140   1HG   PRO  21          1HG       PRO  21  -5.788   9.498   9.269
  141   2HG   PRO  21          2HG       PRO  21  -5.884   9.369  11.014
  142   1HD   PRO  21          1HD       PRO  21  -3.830   8.295   9.325
  143   2HD   PRO  21          2HD       PRO  21  -3.989   8.069  11.055
  144    H    THR  22           H        THR  22  -8.202   5.045   8.431
  145    HA   THR  22           HA       THR  22  -7.010   5.341   5.759
  146    HB   THR  22           HB       THR  22  -9.049   3.272   6.703
  147    HG1  THR  22           HG1      THR  22  -6.892   2.040   6.908
  148   1HG2  THR  22          1HG2      THR  22  -7.094   3.569   4.396
  149   2HG2  THR  22          2HG2      THR  22  -7.526   1.945   4.984
  150   3HG2  THR  22          3HG2      THR  22  -8.789   3.030   4.354
  151    H    PHE  23           H        PHE  23  -9.091   7.015   7.560
  152    HA   PHE  23           HA       PHE  23 -11.131   7.165   5.466
  153   1HB   PHE  23          1HB       PHE  23 -12.357   8.418   7.332
  154   2HB   PHE  23          2HB       PHE  23 -11.949   6.771   7.767
  155    HD1  PHE  23           HD1      PHE  23 -10.638  10.248   8.057
  156    HD2  PHE  23           HD2      PHE  23 -10.824   6.363   9.755
  157    HE1  PHE  23           HE1      PHE  23  -9.443  11.082  10.101
  158    HE2  PHE  23           HE2      PHE  23  -9.629   7.198  11.799
  159    HZ   PHE  23           HZ       PHE  23  -8.953   9.548  11.946
  Start of MODEL   18
    1    H    GLU   1           H        GLU   1  -9.035 -13.618  16.835
    2    HA   GLU   1           HA       GLU   1 -10.636 -12.400  15.547
    3   1HB   GLU   1          1HB       GLU   1  -8.947 -11.069  17.626
    4   2HB   GLU   1          2HB       GLU   1 -10.015 -10.016  16.720
    5   1HG   GLU   1          1HG       GLU   1 -11.971 -11.353  17.332
    6   2HG   GLU   1          2HG       GLU   1 -10.963 -12.594  18.050
    7    H    ASN   2           H        ASN   2  -7.424 -10.681  15.580
    8    HA   ASN   2           HA       ASN   2  -7.291 -10.443  12.849
    9   1HB   ASN   2          1HB       ASN   2  -9.290  -8.890  13.235
   10   2HB   ASN   2          2HB       ASN   2  -8.244  -7.858  14.190
   11   1HD2  ASN   2          2HD2      ASN   2  -7.770  -6.122  13.089
   12   2HD2  ASN   2          1HD2      ASN   2  -7.271  -6.030  11.432
   13    H    PHE   3           H        PHE   3  -5.328  -9.158  12.247
   14    HA   PHE   3           HA       PHE   3  -3.938  -7.597  14.099
   15   1HB   PHE   3          1HB       PHE   3  -3.809 -10.130  14.941
   16   2HB   PHE   3          2HB       PHE   3  -2.711 -10.356  13.594
   17    HD1  PHE   3           HD1      PHE   3  -0.508  -9.298  13.592
   18    HD2  PHE   3           HD2      PHE   3  -3.148  -8.841  16.882
   19    HE1  PHE   3           HE1      PHE   3   1.395  -8.472  15.004
   20    HE2  PHE   3           HE2      PHE   3  -1.245  -8.014  18.294
   21    HZ   PHE   3           HZ       PHE   3   1.004  -7.839  17.339
   22    H    ASN   4           H        ASN   4  -3.899  -6.350  12.104
   23    HA   ASN   4           HA       ASN   4  -2.182  -7.510  10.067
   24   1HB   ASN   4          1HB       ASN   4  -3.025  -5.366   8.781
   25   2HB   ASN   4          2HB       ASN   4  -4.139  -6.701   8.997
   26   1HD2  ASN   4          2HD2      ASN   4  -3.435  -3.433   9.649
   27   2HD2  ASN   4          1HD2      ASN   4  -4.808  -3.034  10.628
   28    H    GLY   5           H        GLY   5  -0.605  -6.906  12.131
   29   1HA   GLY   5          1HA       GLY   5   1.434  -5.646  12.016
   30   2HA   GLY   5          2HA       GLY   5   0.514  -4.242  11.509
   31    H    GLY   6           H        GLY   6  -1.714  -4.464  13.346
   32   1HA   GLY   6          1HA       GLY   6  -1.809  -4.793  15.822
   33   2HA   GLY   6          2HA       GLY   6  -0.316  -3.877  15.885
   34    H    CYS   7           H        CYS   7  -3.376  -3.463  13.962
   35    HA   CYS   7           HA       CYS   7  -3.372  -0.681  14.832
   36   1HB   CYS   7          1HB       CYS   7  -4.799  -2.058  12.549
   37   2HB   CYS   7          2HB       CYS   7  -5.030  -0.377  12.984
   38    H    LEU   8           H        LEU   8  -5.918   0.115  14.858
   39    HA   LEU   8           HA       LEU   8  -7.060  -1.418  17.008
   40   1HB   LEU   8          1HB       LEU   8  -6.989   0.942  17.254
   41   2HB   LEU   8          2HB       LEU   8  -7.741   1.206  15.693
   42    HG   LEU   8           HG       LEU   8  -9.846   0.218  16.545
   43   1HD1  LEU   8          1HD1      LEU   8  -8.272  -0.902  18.513
   44   2HD1  LEU   8          2HD1      LEU   8  -9.133   0.394  19.378
   45   3HD1  LEU   8          3HD1      LEU   8 -10.051  -0.849  18.495
   46   1HD2  LEU   8          1HD2      LEU   8  -8.838   2.742  16.974
   47   2HD2  LEU   8          2HD2      LEU   8 -10.529   2.237  17.214
   48   3HD2  LEU   8          3HD2      LEU   8  -9.404   2.265  18.594
   49    H    ALA   9           H        ALA   9  -8.126  -0.284  13.723
   50    HA   ALA   9           HA       ALA   9  -9.085  -2.570  12.742
   51   1HB   ALA   9          1HB       ALA   9 -10.760  -1.687  15.000
   52   2HB   ALA   9          2HB       ALA   9 -11.677  -1.963  13.500
   53   3HB   ALA   9          3HB       ALA   9 -10.681  -3.268  14.186
   54    H    GLY  10           H        GLY  10  -8.619  -1.532  10.803
   55   1HA   GLY  10          1HA       GLY  10  -9.964  -0.539   9.013
   56   2HA   GLY  10          2HA       GLY  10 -10.390   0.742  10.131
   57    H    TYR  11           H        TYR  11  -7.855   1.163  11.414
   58    HA   TYR  11           HA       TYR  11  -6.684   2.982   9.716
   59   1HB   TYR  11          1HB       TYR  11  -5.632   1.267  12.050
   60   2HB   TYR  11          2HB       TYR  11  -4.747   2.647  11.430
   61    HD1  TYR  11           HD1      TYR  11  -7.727   1.574  13.312
   62    HD2  TYR  11           HD2      TYR  11  -5.474   4.924  11.896
   63    HE1  TYR  11           HE1      TYR  11  -9.018   3.112  14.873
   64    HE2  TYR  11           HE2      TYR  11  -6.771   6.450  13.463
   65    HH   TYR  11           HH       TYR  11  -9.545   5.828  14.692
   66    H    MET  12           H        MET  12  -4.547   3.017   8.683
   67    HA   MET  12           HA       MET  12  -3.823   0.346   7.750
   68   1HB   MET  12          1HB       MET  12  -2.953   1.728   5.695
   69   2HB   MET  12          2HB       MET  12  -4.687   1.528   5.849
   70   1HG   MET  12          1HG       MET  12  -4.881   3.762   6.918
   71   2HG   MET  12          2HG       MET  12  -3.141   3.960   6.870
   72   1HE   MET  12          1HE       MET  12  -3.141   5.955   5.911
   73   2HE   MET  12          2HE       MET  12  -3.175   6.275   4.160
   74   3HE   MET  12          3HE       MET  12  -4.666   6.424   5.121
   75    H    ARG  13           H        ARG  13  -1.471   0.144   7.038
   76    HA   ARG  13           HA       ARG  13   0.124   1.600   8.965
   77   1HB   ARG  13          1HB       ARG  13   0.017  -1.074   8.525
   78   2HB   ARG  13          2HB       ARG  13   1.250  -0.681   7.343
   79   1HG   ARG  13          1HG       ARG  13   2.715  -0.830   9.087
   80   2HG   ARG  13          2HG       ARG  13   2.137   0.764   9.528
   81   1HD   ARG  13          1HD       ARG  13   1.350  -0.086  11.479
   82   2HD   ARG  13          2HD       ARG  13   0.213  -1.066  10.575
   83    HE   ARG  13           HE       ARG  13   2.454  -2.583  10.347
   84   1HH1  ARG  13          1HH1      ARG  13   1.058  -0.978  13.150
   85   2HH1  ARG  13          2HH1      ARG  13   1.672  -2.138  14.280
   86   1HH2  ARG  13          1HH2      ARG  13   3.265  -4.114  11.837
   87   2HH2  ARG  13          2HH2      ARG  13   2.936  -3.934  13.528
   88    H    THR  14           H        THR  14   0.978   3.474   8.081
   89    HA   THR  14           HA       THR  14   1.326   3.913   5.351
   90    HB   THR  14           HB       THR  14   2.446   5.949   6.125
   91    HG1  THR  14           HG1      THR  14   3.773   5.647   7.867
   92   1HG2  THR  14          1HG2      THR  14  -0.061   5.352   6.998
   93   2HG2  THR  14          2HG2      THR  14   0.773   5.412   8.569
   94   3HG2  THR  14          3HG2      THR  14   0.784   6.835   7.500
   95    H    ALA  15           H        ALA  15   4.014   4.991   5.249
   96    HA   ALA  15           HA       ALA  15   5.357   2.476   4.691
   97   1HB   ALA  15          1HB       ALA  15   5.109   4.834   3.303
   98   2HB   ALA  15          2HB       ALA  15   6.698   5.044   4.075
   99   3HB   ALA  15          3HB       ALA  15   6.394   3.632   3.034
  100    H    ASP  16           H        ASP  16   4.884   4.074   7.438
  101    HA   ASP  16           HA       ASP  16   7.696   3.969   8.199
  102   1HB   ASP  16          1HB       ASP  16   5.902   6.050   8.512
  103   2HB   ASP  16          2HB       ASP  16   5.722   5.229  10.050
  104    H    GLY  17           H        GLY  17   4.508   2.601   8.497
  105   1HA   GLY  17          1HA       GLY  17   4.126   0.522   9.491
  106   2HA   GLY  17          2HA       GLY  17   5.446   0.795  10.610
  107    H    ARG  18           H        ARG  18   3.743   3.709  10.347
  108    HA   ARG  18           HA       ARG  18   2.569   3.237  12.907
  109   1HB   ARG  18          1HB       ARG  18   2.284   5.623  13.017
  110   2HB   ARG  18          2HB       ARG  18   3.814   5.378  12.200
  111   1HG   ARG  18          1HG       ARG  18   2.313   5.426   9.997
  112   2HG   ARG  18          2HG       ARG  18   1.162   6.249  11.031
  113   1HD   ARG  18          1HD       ARG  18   4.072   7.134  10.738
  114   2HD   ARG  18          2HD       ARG  18   2.770   7.781   9.758
  115    HE   ARG  18           HE       ARG  18   1.832   8.093  12.351
  116   1HH1  ARG  18          1HH1      ARG  18   4.769   9.064  10.674
  117   2HH1  ARG  18          2HH1      ARG  18   5.012  10.475  11.649
  118   1HH2  ARG  18          2HH2      ARG  18   2.152   9.954  13.637
  119   2HH2  ARG  18          1HH2      ARG  18   3.513  10.984  13.346
  120    H    CYS  19           H        CYS  19   0.465   2.555  13.166
  121    HA   CYS  19           HA       CYS  19  -1.219   2.176  10.985
  122   1HB   CYS  19          1HB       CYS  19  -1.797   2.228  13.952
  123   2HB   CYS  19          2HB       CYS  19  -2.969   1.756  12.737
  124    H    LYS  20           H        LYS  20  -1.776   3.996   9.773
  125    HA   LYS  20           HA       LYS  20  -2.698   6.343  11.251
  126   1HB   LYS  20          1HB       LYS  20  -1.187   5.921   8.817
  127   2HB   LYS  20          2HB       LYS  20  -2.610   6.888   8.485
  128   1HG   LYS  20          1HG       LYS  20  -1.960   8.291  10.569
  129   2HG   LYS  20          2HG       LYS  20  -0.421   7.453  10.528
  130   1HD   LYS  20          1HD       LYS  20   0.321   8.651   8.728
  131   2HD   LYS  20          2HD       LYS  20  -1.200   8.487   7.874
  132   1HE   LYS  20          1HE       LYS  20  -1.850  10.204   9.997
  133   2HE   LYS  20          2HE       LYS  20  -0.230  10.710   9.563
  134   1HZ   LYS  20          1HZ       LYS  20  -2.362  10.342   7.581
  135   2HZ   LYS  20          2HZ       LYS  20  -2.043  11.776   8.295
  136   3HZ   LYS  20          3HZ       LYS  20  -0.914  11.063   7.355
  137    HA   PRO  21           HA       PRO  21  -6.791   5.789   9.985
  138   1HB   PRO  21          1HB       PRO  21  -7.666   8.267   9.238
  139   2HB   PRO  21          2HB       PRO  21  -7.496   7.775  10.911
  140   1HG   PRO  21          1HG       PRO  21  -5.763   9.568   9.322
  141   2HG   PRO  21          2HG       PRO  21  -5.865   9.400  11.063
  142   1HD   PRO  21          1HD       PRO  21  -3.814   8.350   9.354
  143   2HD   PRO  21          2HD       PRO  21  -3.980   8.085  11.080
  144    H    THR  22           H        THR  22  -8.191   5.132   8.376
  145    HA   THR  22           HA       THR  22  -6.921   5.243   5.757
  146    HB   THR  22           HB       THR  22  -9.463   3.768   6.584
  147    HG1  THR  22           HG1      THR  22  -6.666   2.907   6.703
  148   1HG2  THR  22          1HG2      THR  22  -7.202   3.238   4.586
  149   2HG2  THR  22          2HG2      THR  22  -8.471   2.058   4.990
  150   3HG2  THR  22          3HG2      THR  22  -8.902   3.588   4.191
  151    H    PHE  23           H        PHE  23  -8.636   7.433   7.385
  152    HA   PHE  23           HA       PHE  23 -10.363   8.042   5.091
  153   1HB   PHE  23          1HB       PHE  23 -11.552   9.463   6.856
  154   2HB   PHE  23          2HB       PHE  23 -11.559   7.752   7.237
  155    HD1  PHE  23           HD1      PHE  23  -9.531  10.818   7.883
  156    HD2  PHE  23           HD2      PHE  23 -10.916   7.087   9.355
  157    HE1  PHE  23           HE1      PHE  23  -8.488  11.311  10.113
  158    HE2  PHE  23           HE2      PHE  23  -9.874   7.580  11.585
  159    HZ   PHE  23           HZ       PHE  23  -8.673   9.686  11.937
  Start of MODEL   19
    1    H    GLU   1           H        GLU   1   0.081 -10.593  15.771
    2    HA   GLU   1           HA       GLU   1  -2.305 -10.702  15.764
    3   1HB   GLU   1          1HB       GLU   1  -0.966  -9.222  17.423
    4   2HB   GLU   1          2HB       GLU   1  -1.511  -7.854  16.472
    5   1HG   GLU   1          1HG       GLU   1  -3.915  -8.940  16.782
    6   2HG   GLU   1          2HG       GLU   1  -3.163  -9.789  18.119
    7    H    ASN   2           H        ASN   2  -3.786 -10.705  14.126
    8    HA   ASN   2           HA       ASN   2  -5.195  -9.919  12.662
    9   1HB   ASN   2          1HB       ASN   2  -3.981  -7.124  12.872
   10   2HB   ASN   2          2HB       ASN   2  -5.607  -7.542  12.369
   11   1HD2  ASN   2          2HD2      ASN   2  -7.035  -8.539  13.937
   12   2HD2  ASN   2          1HD2      ASN   2  -6.916  -8.117  15.613
   13    H    PHE   3           H        PHE   3  -5.185  -9.344  10.298
   14    HA   PHE   3           HA       PHE   3  -2.533  -9.698   9.190
   15   1HB   PHE   3          1HB       PHE   3  -5.121 -10.620   8.641
   16   2HB   PHE   3          2HB       PHE   3  -4.970  -9.324   7.470
   17    HD1  PHE   3           HD1      PHE   3  -3.135 -12.330   8.696
   18    HD2  PHE   3           HD2      PHE   3  -3.973  -9.761   5.424
   19    HE1  PHE   3           HE1      PHE   3  -1.861 -13.861   7.167
   20    HE2  PHE   3           HE2      PHE   3  -2.699 -11.292   3.896
   21    HZ   PHE   3           HZ       PHE   3  -1.659 -13.323   4.786
   22    H    ASN   4           H        ASN   4  -3.253  -7.098  10.469
   23    HA   ASN   4           HA       ASN   4  -3.173  -5.447   8.067
   24   1HB   ASN   4          1HB       ASN   4  -5.131  -4.844   9.356
   25   2HB   ASN   4          2HB       ASN   4  -4.254  -4.918  10.871
   26   1HD2  ASN   4          2HD2      ASN   4  -5.049  -3.061   8.084
   27   2HD2  ASN   4          1HD2      ASN   4  -4.295  -1.567   8.529
   28    H    GLY   5           H        GLY   5  -1.315  -6.842  10.481
   29   1HA   GLY   5          1HA       GLY   5   0.993  -6.399  10.639
   30   2HA   GLY   5          2HA       GLY   5   0.696  -4.700  10.331
   31    H    GLY   6           H        GLY   6  -1.604  -4.416  12.153
   32   1HA   GLY   6          1HA       GLY   6  -1.686  -5.151  14.625
   33   2HA   GLY   6          2HA       GLY   6  -0.102  -4.406  14.683
   34    H    CYS   7           H        CYS   7  -3.528  -3.749  13.704
   35    HA   CYS   7           HA       CYS   7  -3.079  -0.996  14.601
   36   1HB   CYS   7          1HB       CYS   7  -4.428  -2.004  12.125
   37   2HB   CYS   7          2HB       CYS   7  -5.019  -0.538  12.882
   38    H    LEU   8           H        LEU   8  -5.515   0.004  14.916
   39    HA   LEU   8           HA       LEU   8  -6.670  -1.650  16.938
   40   1HB   LEU   8          1HB       LEU   8  -6.485   0.682  17.340
   41   2HB   LEU   8          2HB       LEU   8  -7.295   1.084  15.838
   42    HG   LEU   8           HG       LEU   8  -9.396   0.093  16.733
   43   1HD1  LEU   8          1HD1      LEU   8  -7.893  -1.269  18.484
   44   2HD1  LEU   8          2HD1      LEU   8  -8.341   0.114  19.512
   45   3HD1  LEU   8          3HD1      LEU   8  -9.609  -0.887  18.765
   46   1HD2  LEU   8          1HD2      LEU   8  -8.030   2.445  17.968
   47   2HD2  LEU   8          2HD2      LEU   8  -9.475   2.366  16.932
   48   3HD2  LEU   8          3HD2      LEU   8  -9.586   1.912  18.649
   49    H    ALA   9           H        ALA   9  -7.849  -0.243  13.802
   50    HA   ALA   9           HA       ALA   9  -8.947  -2.412  12.709
   51   1HB   ALA   9          1HB       ALA   9 -10.484  -1.620  15.104
   52   2HB   ALA   9          2HB       ALA   9 -11.471  -1.800  13.635
   53   3HB   ALA   9          3HB       ALA   9 -10.474  -3.158  14.209
   54    H    GLY  10           H        GLY  10  -8.562  -1.265  10.822
   55   1HA   GLY  10          1HA       GLY  10  -9.961  -0.087   9.192
   56   2HA   GLY  10          2HA       GLY  10 -10.262   1.126  10.420
   57    H    TYR  11           H        TYR  11  -7.605   1.286  11.565
   58    HA   TYR  11           HA       TYR  11  -6.462   3.201   9.947
   59   1HB   TYR  11          1HB       TYR  11  -5.373   1.245  12.062
   60   2HB   TYR  11          2HB       TYR  11  -4.427   2.601  11.480
   61    HD1  TYR  11           HD1      TYR  11  -5.642   4.967  11.656
   62    HD2  TYR  11           HD2      TYR  11  -6.657   1.522  13.983
   63    HE1  TYR  11           HE1      TYR  11  -6.713   6.461  13.414
   64    HE2  TYR  11           HE2      TYR  11  -7.723   3.027  15.732
   65    HH   TYR  11           HH       TYR  11  -8.140   6.452  15.153
   66    H    MET  12           H        MET  12  -4.437   3.233   8.734
   67    HA   MET  12           HA       MET  12  -3.992   0.651   7.456
   68   1HB   MET  12          1HB       MET  12  -3.044   2.146   5.576
   69   2HB   MET  12          2HB       MET  12  -4.767   2.307   5.854
   70   1HG   MET  12          1HG       MET  12  -4.572   4.481   6.547
   71   2HG   MET  12          2HG       MET  12  -3.184   4.133   7.557
   72   1HE   MET  12          1HE       MET  12  -3.517   6.565   6.421
   73   2HE   MET  12          2HE       MET  12  -2.070   7.024   5.491
   74   3HE   MET  12          3HE       MET  12  -3.605   6.704   4.649
   75    H    ARG  13           H        ARG  13  -1.667   0.374   6.554
   76    HA   ARG  13           HA       ARG  13   0.105   1.137   8.705
   77   1HB   ARG  13          1HB       ARG  13  -0.153  -1.170   6.886
   78   2HB   ARG  13          2HB       ARG  13   1.497  -0.582   6.942
   79   1HG   ARG  13          1HG       ARG  13   0.619  -0.545   9.642
   80   2HG   ARG  13          2HG       ARG  13  -0.014  -2.041   8.984
   81   1HD   ARG  13          1HD       ARG  13   2.173  -2.825   8.355
   82   2HD   ARG  13          2HD       ARG  13   2.885  -1.233   8.526
   83    HE   ARG  13           HE       ARG  13   1.713  -2.178  11.023
   84   1HH1  ARG  13          1HH1      ARG  13   4.570  -2.357   8.977
   85   2HH1  ARG  13          2HH1      ARG  13   5.634  -2.769  10.280
   86   1HH2  ARG  13          1HH2      ARG  13   3.116  -2.721  12.742
   87   2HH2  ARG  13          2HH2      ARG  13   4.802  -2.977  12.436
   88    H    THR  14           H        THR  14   1.138   3.085   8.320
   89    HA   THR  14           HA       THR  14   1.531   4.132   5.732
   90    HB   THR  14           HB       THR  14   3.060   5.716   7.150
   91    HG1  THR  14           HG1      THR  14   3.279   3.859   8.756
   92   1HG2  THR  14          1HG2      THR  14   0.208   5.474   7.035
   93   2HG2  THR  14          2HG2      THR  14   0.622   5.744   8.745
   94   3HG2  THR  14          3HG2      THR  14   1.146   6.911   7.509
   95    H    ALA  15           H        ALA  15   4.143   5.088   5.661
   96    HA   ALA  15           HA       ALA  15   5.453   2.719   4.698
   97   1HB   ALA  15          1HB       ALA  15   5.832   5.691   4.555
   98   2HB   ALA  15          2HB       ALA  15   7.253   4.655   4.281
   99   3HB   ALA  15          3HB       ALA  15   5.812   4.480   3.252
  100    H    ASP  16           H        ASP  16   5.040   3.994   7.741
  101    HA   ASP  16           HA       ASP  16   7.701   3.090   8.519
  102   1HB   ASP  16          1HB       ASP  16   6.278   5.558   9.112
  103   2HB   ASP  16          2HB       ASP  16   6.545   4.680  10.605
  104    H    GLY  17           H        GLY  17   4.450   2.345   8.394
  105   1HA   GLY  17          1HA       GLY  17   3.496   0.471   9.368
  106   2HA   GLY  17          2HA       GLY  17   4.640   0.550  10.694
  107    H    ARG  18           H        ARG  18   3.984   3.682  10.617
  108    HA   ARG  18           HA       ARG  18   2.466   3.740  12.836
  109   1HB   ARG  18          1HB       ARG  18   2.499   5.821  10.590
  110   2HB   ARG  18          2HB       ARG  18   1.985   6.134  12.236
  111   1HG   ARG  18          1HG       ARG  18   4.339   5.269  12.951
  112   2HG   ARG  18          2HG       ARG  18   4.778   5.419  11.261
  113   1HD   ARG  18          1HD       ARG  18   4.475   7.785  11.257
  114   2HD   ARG  18          2HD       ARG  18   3.478   7.757  12.699
  115    HE   ARG  18           HE       ARG  18   6.173   6.744  13.191
  116   1HH1  ARG  18          1HH1      ARG  18   4.216   9.659  12.955
  117   2HH1  ARG  18          2HH1      ARG  18   5.273  10.603  13.950
  118   1HH2  ARG  18          1HH2      ARG  18   7.568   7.990  14.504
  119   2HH2  ARG  18          2HH2      ARG  18   7.193   9.647  14.837
  120    H    CYS  19           H        CYS  19   0.413   2.950  13.186
  121    HA   CYS  19           HA       CYS  19  -1.334   2.326  11.115
  122   1HB   CYS  19          1HB       CYS  19  -1.760   2.656  14.085
  123   2HB   CYS  19          2HB       CYS  19  -3.032   2.141  12.996
  124    H    LYS  20           H        LYS  20  -1.733   4.118   9.739
  125    HA   LYS  20           HA       LYS  20  -2.710   6.559  10.981
  126   1HB   LYS  20          1HB       LYS  20  -1.353   5.842   8.492
  127   2HB   LYS  20          2HB       LYS  20  -2.726   6.896   8.217
  128   1HG   LYS  20          1HG       LYS  20  -1.751   8.275  10.257
  129   2HG   LYS  20          2HG       LYS  20  -0.269   7.403   9.922
  130   1HD   LYS  20          1HD       LYS  20  -1.131   8.260   7.379
  131   2HD   LYS  20          2HD       LYS  20  -1.511   9.613   8.425
  132   1HE   LYS  20          1HE       LYS  20   1.163   8.417   8.938
  133   2HE   LYS  20          2HE       LYS  20   0.990   9.098   7.333
  134   1HZ   LYS  20          1HZ       LYS  20  -0.061  11.037   8.690
  135   2HZ   LYS  20          2HZ       LYS  20   0.857  10.432   9.898
  136   3HZ   LYS  20          3HZ       LYS  20   1.558  10.922   8.507
  137    HA   PRO  21           HA       PRO  21  -6.841   5.878   9.918
  138   1HB   PRO  21          1HB       PRO  21  -7.745   8.263   8.937
  139   2HB   PRO  21          2HB       PRO  21  -7.519   7.954  10.647
  140   1HG   PRO  21          1HG       PRO  21  -5.843   9.562   8.818
  141   2HG   PRO  21          2HG       PRO  21  -5.888   9.583  10.570
  142   1HD   PRO  21          1HD       PRO  21  -3.892   8.351   8.917
  143   2HD   PRO  21          2HD       PRO  21  -4.000   8.273  10.664
  144    H    THR  22           H        THR  22  -8.262   5.015   8.442
  145    HA   THR  22           HA       THR  22  -7.281   5.291   5.676
  146    HB   THR  22           HB       THR  22  -8.733   2.904   6.922
  147    HG1  THR  22           HG1      THR  22  -6.648   3.322   7.951
  148   1HG2  THR  22          1HG2      THR  22  -7.674   3.579   4.255
  149   2HG2  THR  22          2HG2      THR  22  -6.898   2.123   4.924
  150   3HG2  THR  22          3HG2      THR  22  -8.667   2.186   4.746
  151    H    PHE  23           H        PHE  23  -9.491   6.601   7.618
  152    HA   PHE  23           HA       PHE  23 -11.723   6.198   5.776
  153   1HB   PHE  23          1HB       PHE  23 -12.903   7.478   7.699
  154   2HB   PHE  23          2HB       PHE  23 -12.265   5.907   8.140
  155    HD1  PHE  23           HD1      PHE  23 -11.257   9.500   8.103
  156    HD2  PHE  23           HD2      PHE  23 -10.949   5.734  10.034
  157    HE1  PHE  23           HE1      PHE  23  -9.935  10.558   9.956
  158    HE2  PHE  23           HE2      PHE  23  -9.627   6.792  11.887
  159    HZ   PHE  23           HZ       PHE  23  -9.135   9.191  11.825
  Start of MODEL   20
    1    H    GLU   1           H        GLU   1   0.705  -6.234   0.727
    2    HA   GLU   1           HA       GLU   1   2.004  -5.551   2.611
    3   1HB   GLU   1          1HB       GLU   1   1.503  -3.019   2.457
    4   2HB   GLU   1          2HB       GLU   1   1.917  -3.847   0.969
    5   1HG   GLU   1          1HG       GLU   1  -0.051  -3.196   0.059
    6   2HG   GLU   1          2HG       GLU   1  -0.918  -4.114   1.275
    7    H    ASN   2           H        ASN   2  -1.519  -5.359   2.946
    8    HA   ASN   2           HA       ASN   2  -1.569  -4.025   5.381
    9   1HB   ASN   2          1HB       ASN   2  -3.433  -5.543   3.666
   10   2HB   ASN   2          2HB       ASN   2  -3.775  -5.803   5.365
   11   1HD2  ASN   2          2HD2      ASN   2  -5.712  -4.633   4.178
   12   2HD2  ASN   2          1HD2      ASN   2  -5.803  -2.924   4.448
   13    H    PHE   3           H        PHE   3  -2.448  -5.207   7.482
   14    HA   PHE   3           HA       PHE   3  -1.526  -7.946   7.701
   15   1HB   PHE   3          1HB       PHE   3   0.262  -5.985   8.250
   16   2HB   PHE   3          2HB       PHE   3  -0.651  -5.855   9.740
   17    HD1  PHE   3           HD1      PHE   3  -1.017  -8.125  11.026
   18    HD2  PHE   3           HD2      PHE   3   2.037  -7.466   8.153
   19    HE1  PHE   3           HE1      PHE   3   0.312 -10.016  12.004
   20    HE2  PHE   3           HE2      PHE   3   3.366  -9.356   9.132
   21    HZ   PHE   3           HZ       PHE   3   2.487 -10.609  11.046
   22    H    ASN   4           H        ASN   4  -2.745  -5.030   9.492
   23    HA   ASN   4           HA       ASN   4  -4.386  -4.771  10.886
   24   1HB   ASN   4          1HB       ASN   4  -5.809  -5.925   9.193
   25   2HB   ASN   4          2HB       ASN   4  -5.368  -7.485   9.857
   26   1HD2  ASN   4          2HD2      ASN   4  -6.695  -4.333  10.833
   27   2HD2  ASN   4          1HD2      ASN   4  -7.868  -4.926  11.963
   28    H    GLY   5           H        GLY   5  -1.869  -6.309  11.581
   29   1HA   GLY   5          1HA       GLY   5  -2.881  -7.964  13.813
   30   2HA   GLY   5          2HA       GLY   5  -1.349  -8.196  12.996
   31    H    GLY   6           H        GLY   6  -2.782  -5.022  13.917
   32   1HA   GLY   6          1HA       GLY   6  -1.274  -4.734  16.315
   33   2HA   GLY   6          2HA       GLY   6  -0.466  -3.951  14.970
   34    H    CYS   7           H        CYS   7  -2.518  -2.942  13.401
   35    HA   CYS   7           HA       CYS   7  -3.160  -0.607  14.653
   36   1HB   CYS   7          1HB       CYS   7  -4.511  -2.017  12.349
   37   2HB   CYS   7          2HB       CYS   7  -4.938  -0.397  12.862
   38    H    LEU   8           H        LEU   8  -5.760   0.047  14.732
   39    HA   LEU   8           HA       LEU   8  -6.770  -1.626  16.861
   40   1HB   LEU   8          1HB       LEU   8  -6.743   0.718  17.253
   41   2HB   LEU   8          2HB       LEU   8  -7.556   1.057  15.739
   42    HG   LEU   8           HG       LEU   8  -9.603  -0.044  16.601
   43   1HD1  LEU   8          1HD1      LEU   8  -8.374  -1.547  18.207
   44   2HD1  LEU   8          2HD1      LEU   8  -8.224  -0.143  19.291
   45   3HD1  LEU   8          3HD1      LEU   8  -9.835  -0.762  18.852
   46   1HD2  LEU   8          1HD2      LEU   8  -8.458   2.247  18.213
   47   2HD2  LEU   8          2HD2      LEU   8  -9.498   2.330  16.770
   48   3HD2  LEU   8          3HD2      LEU   8 -10.156   1.717  18.306
   49    H    ALA   9           H        ALA   9  -7.973  -0.305  13.696
   50    HA   ALA   9           HA       ALA   9  -8.904  -2.546  12.592
   51   1HB   ALA   9          1HB       ALA   9 -10.559  -1.820  14.938
   52   2HB   ALA   9          2HB       ALA   9 -11.481  -2.112  13.443
   53   3HB   ALA   9          3HB       ALA   9 -10.402  -3.375  14.085
   54    H    GLY  10           H        GLY  10  -8.573  -1.406  10.695
   55   1HA   GLY  10          1HA       GLY  10 -10.014  -0.320   9.038
   56   2HA   GLY  10          2HA       GLY  10 -10.389   0.889  10.251
   57    H    TYR  11           H        TYR  11  -7.754   1.193  11.420
   58    HA   TYR  11           HA       TYR  11  -6.693   3.146   9.785
   59   1HB   TYR  11          1HB       TYR  11  -5.531   1.288  11.950
   60   2HB   TYR  11          2HB       TYR  11  -4.657   2.688  11.360
   61    HD1  TYR  11           HD1      TYR  11  -7.567   1.559  13.323
   62    HD2  TYR  11           HD2      TYR  11  -5.303   4.942  12.005
   63    HE1  TYR  11           HE1      TYR  11  -8.745   3.023  15.034
   64    HE2  TYR  11           HE2      TYR  11  -6.489   6.395  13.722
   65    HH   TYR  11           HH       TYR  11  -8.209   6.505  15.101
   66    H    MET  12           H        MET  12  -4.596   3.253   8.662
   67    HA   MET  12           HA       MET  12  -4.037   0.689   7.391
   68   1HB   MET  12          1HB       MET  12  -3.067   2.221   5.549
   69   2HB   MET  12          2HB       MET  12  -4.803   2.322   5.765
   70   1HG   MET  12          1HG       MET  12  -4.713   4.461   6.683
   71   2HG   MET  12          2HG       MET  12  -3.150   4.196   7.432
   72   1HE   MET  12          1HE       MET  12  -4.129   6.693   6.039
   73   2HE   MET  12          2HE       MET  12  -2.386   6.800   6.387
   74   3HE   MET  12          3HE       MET  12  -2.995   7.191   4.761
   75    H    ARG  13           H        ARG  13  -1.699   0.395   6.637
   76    HA   ARG  13           HA       ARG  13   0.008   1.411   8.753
   77   1HB   ARG  13          1HB       ARG  13   0.186  -1.053   6.959
   78   2HB   ARG  13          2HB       ARG  13   1.536  -0.533   7.949
   79   1HG   ARG  13          1HG       ARG  13  -0.775  -0.519   9.647
   80   2HG   ARG  13          2HG       ARG  13  -0.830  -2.019   8.742
   81   1HD   ARG  13          1HD       ARG  13   1.893  -1.401   9.708
   82   2HD   ARG  13          2HD       ARG  13   0.738  -1.522  11.020
   83    HE   ARG  13           HE       ARG  13   0.176  -3.725   9.391
   84   1HH1  ARG  13          1HH1      ARG  13   3.004  -2.525  11.108
   85   2HH1  ARG  13          2HH1      ARG  13   3.681  -4.101  11.354
   86   1HH2  ARG  13          1HH2      ARG  13   1.068  -5.803   9.717
   87   2HH2  ARG  13          2HH2      ARG  13   2.572  -5.978  10.558
   88    H    THR  14           H        THR  14   1.124   3.227   8.077
   89    HA   THR  14           HA       THR  14   1.606   3.782   5.346
   90    HB   THR  14           HB       THR  14   3.079   5.608   6.491
   91    HG1  THR  14           HG1      THR  14   2.541   5.584   8.869
   92   1HG2  THR  14          1HG2      THR  14   0.548   5.853   5.966
   93   2HG2  THR  14          2HG2      THR  14   0.265   5.376   7.658
   94   3HG2  THR  14          3HG2      THR  14   1.175   6.862   7.292
   95    H    ALA  15           H        ALA  15   4.230   4.699   5.210
   96    HA   ALA  15           HA       ALA  15   5.563   2.161   4.853
   97   1HB   ALA  15          1HB       ALA  15   6.268   5.032   4.128
   98   2HB   ALA  15          2HB       ALA  15   7.265   3.617   3.713
   99   3HB   ALA  15          3HB       ALA  15   5.623   3.777   3.042
  100    H    ASP  16           H        ASP  16   5.008   3.902   7.524
  101    HA   ASP  16           HA       ASP  16   7.766   3.673   8.440
  102   1HB   ASP  16          1HB       ASP  16   6.800   5.967   8.577
  103   2HB   ASP  16          2HB       ASP  16   5.457   5.357   9.523
  104    H    GLY  17           H        GLY  17   4.496   2.502   8.615
  105   1HA   GLY  17          1HA       GLY  17   3.929   0.509   9.687
  106   2HA   GLY  17          2HA       GLY  17   5.204   0.756  10.862
  107    H    ARG  18           H        ARG  18   3.846   3.781  10.502
  108    HA   ARG  18           HA       ARG  18   2.523   3.539  12.984
  109   1HB   ARG  18          1HB       ARG  18   2.592   5.892  11.027
  110   2HB   ARG  18          2HB       ARG  18   2.102   5.984  12.707
  111   1HG   ARG  18          1HG       ARG  18   4.807   4.795  12.145
  112   2HG   ARG  18          2HG       ARG  18   4.633   6.520  11.893
  113   1HD   ARG  18          1HD       ARG  18   3.485   6.492  14.286
  114   2HD   ARG  18          2HD       ARG  18   4.291   4.946  14.463
  115    HE   ARG  18           HE       ARG  18   6.250   6.739  13.501
  116   1HH1  ARG  18          1HH1      ARG  18   4.213   6.413  16.352
  117   2HH1  ARG  18          2HH1      ARG  18   5.335   7.212  17.402
  118   1HH2  ARG  18          1HH2      ARG  18   7.731   7.793  14.886
  119   2HH2  ARG  18          2HH2      ARG  18   7.349   8.003  16.562
  120    H    CYS  19           H        CYS  19   0.457   2.726  13.167
  121    HA   CYS  19           HA       CYS  19  -1.220   2.334  11.002
  122   1HB   CYS  19          1HB       CYS  19  -1.823   2.466  13.962
  123   2HB   CYS  19          2HB       CYS  19  -2.989   1.969  12.751
  124    H    LYS  20           H        LYS  20  -1.939   4.030   9.738
  125    HA   LYS  20           HA       LYS  20  -2.765   6.472  11.125
  126   1HB   LYS  20          1HB       LYS  20  -1.359   5.915   8.653
  127   2HB   LYS  20          2HB       LYS  20  -2.788   6.878   8.337
  128   1HG   LYS  20          1HG       LYS  20  -1.382   8.613   8.905
  129   2HG   LYS  20          2HG       LYS  20  -1.901   8.204  10.528
  130   1HD   LYS  20          1HD       LYS  20   0.108   7.078  11.041
  131   2HD   LYS  20          2HD       LYS  20   0.475   6.743   9.360
  132   1HE   LYS  20          1HE       LYS  20   1.463   8.803   9.015
  133   2HE   LYS  20          2HE       LYS  20   0.331   9.644  10.055
  134   1HZ   LYS  20          1HZ       LYS  20   2.282   7.808  11.210
  135   2HZ   LYS  20          2HZ       LYS  20   2.718   9.335  10.831
  136   3HZ   LYS  20          3HZ       LYS  20   1.524   9.071  11.914
  137    HA   PRO  21           HA       PRO  21  -6.906   5.846  10.074
  138   1HB   PRO  21          1HB       PRO  21  -7.827   8.298   9.295
  139   2HB   PRO  21          2HB       PRO  21  -7.579   7.855  10.972
  140   1HG   PRO  21          1HG       PRO  21  -5.930   9.608   9.255
  141   2HG   PRO  21          2HG       PRO  21  -5.952   9.490  11.004
  142   1HD   PRO  21          1HD       PRO  21  -3.975   8.399   9.235
  143   2HD   PRO  21          2HD       PRO  21  -4.061   8.184  10.972
  144    H    THR  22           H        THR  22  -8.372   5.133   8.549
  145    HA   THR  22           HA       THR  22  -7.421   5.624   5.802
  146    HB   THR  22           HB       THR  22  -8.559   3.126   7.155
  147    HG1  THR  22           HG1      THR  22  -6.180   3.722   5.547
  148   1HG2  THR  22          1HG2      THR  22  -8.224   3.866   4.230
  149   2HG2  THR  22          2HG2      THR  22  -7.900   2.195   4.752
  150   3HG2  THR  22          3HG2      THR  22  -9.513   2.907   4.996
  151    H    PHE  23           H        PHE  23  -9.595   6.775   7.863
  152    HA   PHE  23           HA       PHE  23 -12.098   6.344   7.136
  153   1HB   PHE  23          1HB       PHE  23 -10.788   9.125   7.118
  154   2HB   PHE  23          2HB       PHE  23 -12.434   8.765   7.602
  155    HD1  PHE  23           HD1      PHE  23 -12.127   6.489   9.398
  156    HD2  PHE  23           HD2      PHE  23  -9.701   9.947   8.985
  157    HE1  PHE  23           HE1      PHE  23 -11.373   6.245  11.780
  158    HE2  PHE  23           HE2      PHE  23  -8.948   9.702  11.367
  159    HZ   PHE  23           HZ       PHE  23  -9.792   7.855  12.735
  Start of MODEL   21
    1    H    GLU   1           H        GLU   1   4.907  -9.555  17.270
    2    HA   GLU   1           HA       GLU   1   2.868 -10.799  17.257
    3   1HB   GLU   1          1HB       GLU   1   4.114  -9.747  19.479
    4   2HB   GLU   1          2HB       GLU   1   2.470  -9.196  19.733
    5   1HG   GLU   1          1HG       GLU   1   1.979 -11.263  20.528
    6   2HG   GLU   1          2HG       GLU   1   2.162 -11.871  18.895
    7    H    ASN   2           H        ASN   2   1.817  -9.456  15.373
    8    HA   ASN   2           HA       ASN   2  -0.588  -8.320  16.513
    9   1HB   ASN   2          1HB       ASN   2   0.931  -7.028  14.187
   10   2HB   ASN   2          2HB       ASN   2  -0.556  -6.436  14.900
   11   1HD2  ASN   2          2HD2      ASN   2  -0.510  -5.937  17.235
   12   2HD2  ASN   2          1HD2      ASN   2   0.907  -5.201  17.906
   13    H    PHE   3           H        PHE   3  -2.261  -8.013  14.546
   14    HA   PHE   3           HA       PHE   3  -2.194 -10.494  13.077
   15   1HB   PHE   3          1HB       PHE   3  -4.094  -8.388  13.986
   16   2HB   PHE   3          2HB       PHE   3  -4.434  -8.902  12.346
   17    HD1  PHE   3           HD1      PHE   3  -4.778 -11.397  11.923
   18    HD2  PHE   3           HD2      PHE   3  -4.776  -9.695  15.812
   19    HE1  PHE   3           HE1      PHE   3  -5.994 -13.408  12.805
   20    HE2  PHE   3           HE2      PHE   3  -5.992 -11.707  16.692
   21    HZ   PHE   3           HZ       PHE   3  -6.585 -13.540  15.178
   22    H    ASN   4           H        ASN   4  -2.804  -7.002  12.237
   23    HA   ASN   4           HA       ASN   4  -1.517  -7.602   9.690
   24   1HB   ASN   4          1HB       ASN   4  -3.129  -5.547   8.971
   25   2HB   ASN   4          2HB       ASN   4  -3.673  -7.211   8.899
   26   1HD2  ASN   4          2HD2      ASN   4  -3.732  -4.218  10.700
   27   2HD2  ASN   4          1HD2      ASN   4  -5.116  -4.549  11.689
   28    H    GLY   5           H        GLY   5   0.070  -6.730  11.760
   29   1HA   GLY   5          1HA       GLY   5   1.736  -5.035  11.603
   30   2HA   GLY   5          2HA       GLY   5   0.505  -3.881  11.127
   31    H    GLY   6           H        GLY   6  -1.541  -4.634  13.067
   32   1HA   GLY   6          1HA       GLY   6  -1.700  -4.841  15.459
   33   2HA   GLY   6          2HA       GLY   6  -0.199  -3.949  15.610
   34    H    CYS   7           H        CYS   7  -3.324  -3.477  13.793
   35    HA   CYS   7           HA       CYS   7  -3.257  -0.704  14.707
   36   1HB   CYS   7          1HB       CYS   7  -4.689  -2.020  12.394
   37   2HB   CYS   7          2HB       CYS   7  -4.984  -0.370  12.901
   38    H    LEU   8           H        LEU   8  -5.779   0.118  14.830
   39    HA   LEU   8           HA       LEU   8  -6.901  -1.488  16.937
   40   1HB   LEU   8          1HB       LEU   8  -6.787   0.859  17.280
   41   2HB   LEU   8          2HB       LEU   8  -7.570   1.199  15.749
   42    HG   LEU   8           HG       LEU   8  -9.666   0.182  16.617
   43   1HD1  LEU   8          1HD1      LEU   8  -8.119  -1.061  18.466
   44   2HD1  LEU   8          2HD1      LEU   8  -8.765   0.290  19.428
   45   3HD1  LEU   8          3HD1      LEU   8  -9.879  -0.834  18.612
   46   1HD2  LEU   8          1HD2      LEU   8  -8.394   2.567  17.917
   47   2HD2  LEU   8          2HD2      LEU   8  -9.731   2.481  16.746
   48   3HD2  LEU   8          3HD2      LEU   8 -10.006   2.024  18.444
   49    H    ALA   9           H        ALA   9  -8.024  -0.194  13.733
   50    HA   ALA   9           HA       ALA   9  -9.035  -2.420  12.668
   51   1HB   ALA   9          1HB       ALA   9 -10.639  -1.634  15.009
   52   2HB   ALA   9          2HB       ALA   9 -11.602  -1.810  13.523
   53   3HB   ALA   9          3HB       ALA   9 -10.611  -3.167  14.108
   54    H    GLY  10           H        GLY  10  -8.698  -1.374  10.729
   55   1HA   GLY  10          1HA       GLY  10 -10.049  -0.260   9.041
   56   2HA   GLY  10          2HA       GLY  10 -10.420   0.980  10.222
   57    H    TYR  11           H        TYR  11  -7.779   1.214  11.432
   58    HA   TYR  11           HA       TYR  11  -6.651   3.114   9.762
   59   1HB   TYR  11          1HB       TYR  11  -5.557   1.313  12.010
   60   2HB   TYR  11          2HB       TYR  11  -4.685   2.712  11.417
   61    HD1  TYR  11           HD1      TYR  11  -5.938   5.007  11.541
   62    HD2  TYR  11           HD2      TYR  11  -7.069   1.544  13.783
   63    HE1  TYR  11           HE1      TYR  11  -7.185   6.479  13.198
   64    HE2  TYR  11           HE2      TYR  11  -8.313   3.027  15.432
   65    HH   TYR  11           HH       TYR  11  -8.381   5.219  16.181
   66    H    MET  12           H        MET  12  -4.524   3.140   8.694
   67    HA   MET  12           HA       MET  12  -3.910   0.494   7.622
   68   1HB   MET  12          1HB       MET  12  -3.067   1.837   5.602
   69   2HB   MET  12          2HB       MET  12  -4.795   1.943   5.866
   70   1HG   MET  12          1HG       MET  12  -4.562   4.131   6.956
   71   2HG   MET  12          2HG       MET  12  -2.814   4.006   6.940
   72   1HE   MET  12          1HE       MET  12  -3.766   6.330   6.234
   73   2HE   MET  12          2HE       MET  12  -2.445   6.475   5.050
   74   3HE   MET  12          3HE       MET  12  -4.124   6.791   4.552
   75    H    ARG  13           H        ARG  13  -1.556   0.292   6.816
   76    HA   ARG  13           HA       ARG  13   0.106   1.524   8.846
   77   1HB   ARG  13          1HB       ARG  13   0.330  -0.852   8.945
   78   2HB   ARG  13          2HB       ARG  13   0.318  -1.022   7.201
   79   1HG   ARG  13          1HG       ARG  13   2.540   0.687   8.087
   80   2HG   ARG  13          2HG       ARG  13   2.596  -0.881   8.869
   81   1HD   ARG  13          1HD       ARG  13   1.982  -1.546   6.220
   82   2HD   ARG  13          2HD       ARG  13   3.064  -0.181   6.029
   83    HE   ARG  13           HE       ARG  13   4.383  -1.694   7.907
   84   1HH1  ARG  13          1HH1      ARG  13   2.983  -2.479   4.776
   85   2HH1  ARG  13          2HH1      ARG  13   4.109  -3.754   4.449
   86   1HH2  ARG  13          1HH2      ARG  13   5.869  -3.375   7.476
   87   2HH2  ARG  13          2HH2      ARG  13   5.762  -4.267   5.995
   88    H    THR  14           H        THR  14   1.022   3.418   8.073
   89    HA   THR  14           HA       THR  14   1.402   3.976   5.356
   90    HB   THR  14           HB       THR  14   2.529   5.965   6.235
   91    HG1  THR  14           HG1      THR  14   2.554   4.415   8.725
   92   1HG2  THR  14          1HG2      THR  14   0.003   5.436   6.988
   93   2HG2  THR  14          2HG2      THR  14   0.760   5.280   8.591
   94   3HG2  THR  14          3HG2      THR  14   0.888   6.810   7.692
   95    H    ALA  15           H        ALA  15   4.119   5.027   5.396
   96    HA   ALA  15           HA       ALA  15   5.438   2.519   4.745
   97   1HB   ALA  15          1HB       ALA  15   5.338   4.406   3.112
   98   2HB   ALA  15          2HB       ALA  15   6.270   5.406   4.251
   99   3HB   ALA  15          3HB       ALA  15   7.005   3.950   3.537
  100    H    ASP  16           H        ASP  16   4.925   4.045   7.542
  101    HA   ASP  16           HA       ASP  16   7.708   3.790   8.373
  102   1HB   ASP  16          1HB       ASP  16   6.065   5.982   8.654
  103   2HB   ASP  16          2HB       ASP  16   5.744   5.156  10.166
  104    H    GLY  17           H        GLY  17   4.516   2.498   8.471
  105   1HA   GLY  17          1HA       GLY  17   3.954   0.479   9.455
  106   2HA   GLY  17          2HA       GLY  17   5.261   0.653  10.610
  107    H    ARG  18           H        ARG  18   3.840   3.683  10.464
  108    HA   ARG  18           HA       ARG  18   2.592   3.253  12.968
  109   1HB   ARG  18          1HB       ARG  18   2.783   5.715  11.163
  110   2HB   ARG  18          2HB       ARG  18   2.071   5.748  12.764
  111   1HG   ARG  18          1HG       ARG  18   4.354   4.671  13.541
  112   2HG   ARG  18          2HG       ARG  18   4.964   5.242  12.001
  113   1HD   ARG  18          1HD       ARG  18   3.403   7.210  13.661
  114   2HD   ARG  18          2HD       ARG  18   5.001   6.778  14.235
  115    HE   ARG  18           HE       ARG  18   4.948   7.437  11.381
  116   1HH1  ARG  18          1HH1      ARG  18   5.228   8.749  14.634
  117   2HH1  ARG  18          2HH1      ARG  18   6.053  10.183  14.122
  118   1HH2  ARG  18          1HH2      ARG  18   6.036   9.329  10.705
  119   2HH2  ARG  18          2HH2      ARG  18   6.515  10.516  11.872
  120    H    CYS  19           H        CYS  19   0.517   2.474  13.159
  121    HA   CYS  19           HA       CYS  19  -1.203   2.177  11.028
  122   1HB   CYS  19          1HB       CYS  19  -1.768   2.277  13.995
  123   2HB   CYS  19          2HB       CYS  19  -2.956   1.819  12.792
  124    H    LYS  20           H        LYS  20  -1.930   3.897   9.798
  125    HA   LYS  20           HA       LYS  20  -2.737   6.312  11.253
  126   1HB   LYS  20          1HB       LYS  20  -1.163   5.887   8.898
  127   2HB   LYS  20          2HB       LYS  20  -2.621   6.740   8.433
  128   1HG   LYS  20          1HG       LYS  20  -1.504   8.607   9.139
  129   2HG   LYS  20          2HG       LYS  20  -1.982   8.090  10.744
  130   1HD   LYS  20          1HD       LYS  20   0.309   6.566  10.302
  131   2HD   LYS  20          2HD       LYS  20   0.700   8.061   9.475
  132   1HE   LYS  20          1HE       LYS  20  -0.525   8.811  11.955
  133   2HE   LYS  20          2HE       LYS  20   0.616   7.535  12.334
  134   1HZ   LYS  20          1HZ       LYS  20   1.729   9.346  10.493
  135   2HZ   LYS  20          2HZ       LYS  20   1.203  10.144  11.818
  136   3HZ   LYS  20          3HZ       LYS  20   2.273   8.919  11.973
  137    HA   PRO  21           HA       PRO  21  -6.832   5.808   9.963
  138   1HB   PRO  21          1HB       PRO  21  -7.656   8.260   9.081
  139   2HB   PRO  21          2HB       PRO  21  -7.506   7.852  10.779
  140   1HG   PRO  21          1HG       PRO  21  -5.731   9.528   9.112
  141   2HG   PRO  21          2HG       PRO  21  -5.847   9.452  10.859
  142   1HD   PRO  21          1HD       PRO  21  -3.805   8.278   9.222
  143   2HD   PRO  21          2HD       PRO  21  -3.987   8.105  10.956
  144    H    THR  22           H        THR  22  -8.243   5.106   8.376
  145    HA   THR  22           HA       THR  22  -7.270   5.660   5.657
  146    HB   THR  22           HB       THR  22  -7.590   3.063   7.126
  147    HG1  THR  22           HG1      THR  22  -6.236   3.959   4.683
  148   1HG2  THR  22          1HG2      THR  22  -8.391   3.491   4.203
  149   2HG2  THR  22          2HG2      THR  22  -7.913   1.912   4.869
  150   3HG2  THR  22          3HG2      THR  22  -9.373   2.730   5.477
  151    H    PHE  23           H        PHE  23  -9.643   6.260   7.806
  152    HA   PHE  23           HA       PHE  23 -11.837   5.644   6.002
  153   1HB   PHE  23          1HB       PHE  23 -13.132   6.598   8.011
  154   2HB   PHE  23          2HB       PHE  23 -12.145   5.204   8.404
  155    HD1  PHE  23           HD1      PHE  23 -11.963   8.930   8.366
  156    HD2  PHE  23           HD2      PHE  23 -10.717   5.322  10.221
  157    HE1  PHE  23           HE1      PHE  23 -10.813  10.252  10.164
  158    HE2  PHE  23           HE2      PHE  23  -9.567   6.644  12.018
  159    HZ   PHE  23           HZ       PHE  23  -9.628   9.092  11.968
  Start of MODEL   22
    1    H    GLU   1           H        GLU   1  -2.301 -16.568  15.835
    2    HA   GLU   1           HA       GLU   1  -0.278 -16.066  14.668
    3   1HB   GLU   1          1HB       GLU   1  -2.902 -15.922  13.169
    4   2HB   GLU   1          2HB       GLU   1  -1.395 -15.786  12.286
    5   1HG   GLU   1          1HG       GLU   1  -1.436 -18.014  14.255
    6   2HG   GLU   1          2HG       GLU   1  -2.625 -18.176  12.978
    7    H    ASN   2           H        ASN   2  -2.851 -13.611  13.868
    8    HA   ASN   2           HA       ASN   2  -1.274 -11.451  14.495
    9   1HB   ASN   2          1HB       ASN   2   0.030 -12.282  12.443
   10   2HB   ASN   2          2HB       ASN   2  -1.393 -11.950  11.475
   11   1HD2  ASN   2          2HD2      ASN   2  -0.233 -10.451  10.259
   12   2HD2  ASN   2          1HD2      ASN   2   0.128  -8.857  10.833
   13    H    PHE   3           H        PHE   3  -2.370  -9.354  13.640
   14    HA   PHE   3           HA       PHE   3  -5.200  -9.929  13.166
   15   1HB   PHE   3          1HB       PHE   3  -3.806  -8.374  15.049
   16   2HB   PHE   3          2HB       PHE   3  -4.234  -7.174  13.846
   17    HD1  PHE   3           HD1      PHE   3  -5.793  -9.932  15.819
   18    HD2  PHE   3           HD2      PHE   3  -6.290  -6.127  14.007
   19    HE1  PHE   3           HE1      PHE   3  -8.093  -9.760  16.810
   20    HE2  PHE   3           HE2      PHE   3  -8.590  -5.955  14.997
   21    HZ   PHE   3           HZ       PHE   3  -9.464  -7.773  16.388
   22    H    ASN   4           H        ASN   4  -2.791  -7.306  12.401
   23    HA   ASN   4           HA       ASN   4  -3.010  -7.558   9.686
   24   1HB   ASN   4          1HB       ASN   4  -5.387  -6.836   9.984
   25   2HB   ASN   4          2HB       ASN   4  -4.858  -5.404  10.844
   26   1HD2  ASN   4          2HD2      ASN   4  -4.772  -3.629   9.718
   27   2HD2  ASN   4          1HD2      ASN   4  -4.504  -3.470   8.014
   28    H    GLY   5           H        GLY   5  -0.980  -7.086  11.602
   29   1HA   GLY   5          1HA       GLY   5   0.940  -5.742  11.239
   30   2HA   GLY   5          2HA       GLY   5  -0.090  -4.378  10.853
   31    H    GLY   6           H        GLY   6  -2.018  -4.729  13.036
   32   1HA   GLY   6          1HA       GLY   6  -1.790  -4.950  15.476
   33   2HA   GLY   6          2HA       GLY   6  -0.274  -4.083  15.339
   34    H    CYS   7           H        CYS   7  -3.487  -3.534  13.737
   35    HA   CYS   7           HA       CYS   7  -3.337  -0.792  14.733
   36   1HB   CYS   7          1HB       CYS   7  -4.809  -2.000  12.388
   37   2HB   CYS   7          2HB       CYS   7  -5.086  -0.366  12.958
   38    H    LEU   8           H        LEU   8  -5.955   0.007  14.721
   39    HA   LEU   8           HA       LEU   8  -7.059  -1.602  16.859
   40   1HB   LEU   8          1HB       LEU   8  -6.908   0.736  17.256
   41   2HB   LEU   8          2HB       LEU   8  -7.690   1.122  15.735
   42    HG   LEU   8           HG       LEU   8  -9.800   0.124  16.580
   43   1HD1  LEU   8          1HD1      LEU   8  -8.204  -1.136  18.441
   44   2HD1  LEU   8          2HD1      LEU   8  -9.011   0.130  19.398
   45   3HD1  LEU   8          3HD1      LEU   8  -9.981  -1.041  18.474
   46   1HD2  LEU   8          1HD2      LEU   8  -8.651   2.592  17.213
   47   2HD2  LEU   8          2HD2      LEU   8 -10.376   2.156  17.268
   48   3HD2  LEU   8          3HD2      LEU   8  -9.376   2.017  18.733
   49    H    ALA   9           H        ALA   9  -8.159  -0.211  13.687
   50    HA   ALA   9           HA       ALA   9  -9.199  -2.395  12.565
   51   1HB   ALA   9          1HB       ALA   9 -10.826  -1.605  14.906
   52   2HB   ALA   9          2HB       ALA   9 -11.756  -1.824  13.405
   53   3HB   ALA   9          3HB       ALA   9 -10.754  -3.154  14.032
   54    H    GLY  10           H        GLY  10  -8.769  -1.245  10.688
   55   1HA   GLY  10          1HA       GLY  10 -10.138  -0.084   9.017
   56   2HA   GLY  10          2HA       GLY  10 -10.478   1.130  10.234
   57    H    TYR  11           H        TYR  11  -7.723   1.068  11.403
   58    HA   TYR  11           HA       TYR  11  -6.572   3.010   9.689
   59   1HB   TYR  11          1HB       TYR  11  -5.584   1.355  12.096
   60   2HB   TYR  11          2HB       TYR  11  -4.723   2.748  11.473
   61    HD1  TYR  11           HD1      TYR  11  -5.767   5.034  11.643
   62    HD2  TYR  11           HD2      TYR  11  -7.462   1.604  13.557
   63    HE1  TYR  11           HE1      TYR  11  -7.135   6.548  13.161
   64    HE2  TYR  11           HE2      TYR  11  -8.824   3.129  15.068
   65    HH   TYR  11           HH       TYR  11  -8.286   5.834  15.851
   66    H    MET  12           H        MET  12  -4.473   2.937   8.640
   67    HA   MET  12           HA       MET  12  -3.740   0.202   7.926
   68   1HB   MET  12          1HB       MET  12  -2.919   1.373   5.741
   69   2HB   MET  12          2HB       MET  12  -4.652   1.226   5.947
   70   1HG   MET  12          1HG       MET  12  -4.955   3.498   6.199
   71   2HG   MET  12          2HG       MET  12  -3.492   3.696   7.143
   72   1HE   MET  12          1HE       MET  12  -3.478   6.002   5.656
   73   2HE   MET  12          2HE       MET  12  -3.226   6.018   3.895
   74   3HE   MET  12          3HE       MET  12  -4.772   5.448   4.567
   75    H    ARG  13           H        ARG  13  -1.384  -0.013   7.183
   76    HA   ARG  13           HA       ARG  13   0.203   1.575   9.003
   77   1HB   ARG  13          1HB       ARG  13   0.162  -1.112   8.685
   78   2HB   ARG  13          2HB       ARG  13   1.351  -0.747   7.451
   79   1HG   ARG  13          1HG       ARG  13   2.867  -0.785   9.157
   80   2HG   ARG  13          2HG       ARG  13   2.267   0.817   9.538
   81   1HD   ARG  13          1HD       ARG  13   1.126   0.096  11.409
   82   2HD   ARG  13          2HD       ARG  13   0.614  -1.399  10.651
   83    HE   ARG  13           HE       ARG  13   3.086  -0.967  12.183
   84   1HH1  ARG  13          1HH1      ARG  13   1.419  -3.032   9.872
   85   2HH1  ARG  13          2HH1      ARG  13   2.390  -4.423  10.221
   86   1HH2  ARG  13          1HH2      ARG  13   4.368  -2.802  12.643
   87   2HH2  ARG  13          2HH2      ARG  13   4.079  -4.291  11.808
   88    H    THR  14           H        THR  14   1.033   3.420   8.053
   89    HA   THR  14           HA       THR  14   1.319   3.770   5.297
   90    HB   THR  14           HB       THR  14   2.460   5.845   5.993
   91    HG1  THR  14           HG1      THR  14   3.664   5.682   7.847
   92   1HG2  THR  14          1HG2      THR  14  -0.082   5.305   6.768
   93   2HG2  THR  14          2HG2      THR  14   0.672   5.392   8.379
   94   3HG2  THR  14          3HG2      THR  14   0.752   6.791   7.281
   95    H    ALA  15           H        ALA  15   4.043   4.936   5.287
   96    HA   ALA  15           HA       ALA  15   5.418   2.424   4.736
   97   1HB   ALA  15          1HB       ALA  15   5.530   5.244   3.753
   98   2HB   ALA  15          2HB       ALA  15   7.059   4.332   3.766
   99   3HB   ALA  15          3HB       ALA  15   5.661   3.713   2.854
  100    H    ASP  16           H        ASP  16   4.911   4.085   7.439
  101    HA   ASP  16           HA       ASP  16   7.725   4.063   8.198
  102   1HB   ASP  16          1HB       ASP  16   6.520   6.263   8.415
  103   2HB   ASP  16          2HB       ASP  16   5.370   5.509   9.502
  104    H    GLY  17           H        GLY  17   4.561   2.648   8.548
  105   1HA   GLY  17          1HA       GLY  17   4.238   0.583   9.600
  106   2HA   GLY  17          2HA       GLY  17   5.539   0.933  10.721
  107    H    ARG  18           H        ARG  18   3.784   3.796  10.368
  108    HA   ARG  18           HA       ARG  18   2.583   3.363  12.921
  109   1HB   ARG  18          1HB       ARG  18   2.248   5.745  12.967
  110   2HB   ARG  18          2HB       ARG  18   3.794   5.511  12.175
  111   1HG   ARG  18          1HG       ARG  18   2.314   5.470   9.954
  112   2HG   ARG  18          2HG       ARG  18   1.141   6.303  10.955
  113   1HD   ARG  18          1HD       ARG  18   3.637   7.583  11.478
  114   2HD   ARG  18          2HD       ARG  18   3.583   7.348   9.742
  115    HE   ARG  18           HE       ARG  18   1.048   8.356  10.722
  116   1HH1  ARG  18          1HH1      ARG  18   4.329   9.345   9.922
  117   2HH1  ARG  18          2HH1      ARG  18   3.889  10.985   9.583
  118   1HH2  ARG  18          1HH2      ARG  18   0.466  10.520  10.274
  119   2HH2  ARG  18          2HH2      ARG  18   1.677  11.658   9.785
  120    H    CYS  19           H        CYS  19   0.486   2.662  13.179
  121    HA   CYS  19           HA       CYS  19  -1.163   2.183  10.988
  122   1HB   CYS  19          1HB       CYS  19  -1.707   2.272  13.956
  123   2HB   CYS  19          2HB       CYS  19  -2.940   1.853  12.782
  124    H    LYS  20           H        LYS  20  -1.679   3.988   9.718
  125    HA   LYS  20           HA       LYS  20  -2.621   6.376  11.093
  126   1HB   LYS  20          1HB       LYS  20  -1.397   5.763   8.471
  127   2HB   LYS  20          2HB       LYS  20  -2.666   6.970   8.427
  128   1HG   LYS  20          1HG       LYS  20  -1.145   7.634  10.720
  129   2HG   LYS  20          2HG       LYS  20   0.050   7.173   9.524
  130   1HD   LYS  20          1HD       LYS  20  -0.276   9.084   8.339
  131   2HD   LYS  20          2HD       LYS  20  -2.009   8.830   8.283
  132   1HE   LYS  20          1HE       LYS  20  -2.371   9.974  10.352
  133   2HE   LYS  20          2HE       LYS  20  -0.691   9.833  10.830
  134   1HZ   LYS  20          1HZ       LYS  20  -0.118  11.326   9.033
  135   2HZ   LYS  20          2HZ       LYS  20  -1.685  11.461   8.594
  136   3HZ   LYS  20          3HZ       LYS  20  -1.191  12.029  10.043
  137    HA   PRO  21           HA       PRO  21  -6.763   5.706  10.075
  138   1HB   PRO  21          1HB       PRO  21  -7.713   8.168   9.366
  139   2HB   PRO  21          2HB       PRO  21  -7.449   7.685  11.030
  140   1HG   PRO  21          1HG       PRO  21  -5.830   9.498   9.348
  141   2HG   PRO  21          2HG       PRO  21  -5.839   9.335  11.093
  142   1HD   PRO  21          1HD       PRO  21  -3.864   8.310   9.283
  143   2HD   PRO  21          2HD       PRO  21  -3.934   8.049  11.014
  144    H    THR  22           H        THR  22  -8.181   4.954   8.545
  145    HA   THR  22           HA       THR  22  -7.171   5.392   5.818
  146    HB   THR  22           HB       THR  22  -9.026   3.177   6.806
  147    HG1  THR  22           HG1      THR  22  -7.204   2.440   7.819
  148   1HG2  THR  22          1HG2      THR  22  -8.161   3.794   4.248
  149   2HG2  THR  22          2HG2      THR  22  -6.862   2.713   4.804
  150   3HG2  THR  22          3HG2      THR  22  -8.549   2.146   4.794
  151    H    PHE  23           H        PHE  23  -9.242   6.882   7.789
  152    HA   PHE  23           HA       PHE  23 -11.439   6.926   5.863
  153   1HB   PHE  23          1HB       PHE  23 -12.537   8.178   7.818
  154   2HB   PHE  23          2HB       PHE  23 -12.045   6.545   8.221
  155    HD1  PHE  23           HD1      PHE  23 -10.642  10.008   8.284
  156    HD2  PHE  23           HD2      PHE  23 -10.906   6.231  10.198
  157    HE1  PHE  23           HE1      PHE  23  -9.292  10.889  10.209
  158    HE2  PHE  23           HE2      PHE  23  -9.556   7.111  12.123
  159    HZ   PHE  23           HZ       PHE  23  -8.766   9.429  12.105
  Start of MODEL   23
    1    H    GLU   1           H        GLU   1   0.055 -11.601  15.337
    2    HA   GLU   1           HA       GLU   1  -0.742 -13.746  14.651
    3   1HB   GLU   1          1HB       GLU   1  -1.773 -12.362  17.082
    4   2HB   GLU   1          2HB       GLU   1  -2.601 -13.852  16.673
    5   1HG   GLU   1          1HG       GLU   1  -0.446 -15.077  16.628
    6   2HG   GLU   1          2HG       GLU   1   0.433 -13.591  16.928
    7    H    ASN   2           H        ASN   2  -3.492 -11.443  15.282
    8    HA   ASN   2           HA       ASN   2  -4.860 -12.762  13.080
    9   1HB   ASN   2          1HB       ASN   2  -5.654 -12.709  15.880
   10   2HB   ASN   2          2HB       ASN   2  -6.822 -11.786  14.954
   11   1HD2  ASN   2          2HD2      ASN   2  -7.323 -14.223  16.267
   12   2HD2  ASN   2          1HD2      ASN   2  -7.749 -15.429  15.098
   13    H    PHE   3           H        PHE   3  -3.277 -10.113  13.827
   14    HA   PHE   3           HA       PHE   3  -5.402  -8.212  13.153
   15   1HB   PHE   3          1HB       PHE   3  -2.780  -8.221  14.663
   16   2HB   PHE   3          2HB       PHE   3  -3.152  -6.745  13.796
   17    HD1  PHE   3           HD1      PHE   3  -5.174  -5.436  14.396
   18    HD2  PHE   3           HD2      PHE   3  -3.956  -8.813  16.658
   19    HE1  PHE   3           HE1      PHE   3  -6.631  -4.688  16.297
   20    HE2  PHE   3           HE2      PHE   3  -5.413  -8.064  18.561
   21    HZ   PHE   3           HZ       PHE   3  -6.733  -6.011  18.357
   22    H    ASN   4           H        ASN   4  -4.469  -6.246  11.816
   23    HA   ASN   4           HA       ASN   4  -3.161  -7.474   9.541
   24   1HB   ASN   4          1HB       ASN   4  -3.912  -5.255   8.411
   25   2HB   ASN   4          2HB       ASN   4  -5.185  -6.365   8.882
   26   1HD2  ASN   4          2HD2      ASN   4  -6.351  -5.998  10.825
   27   2HD2  ASN   4          1HD2      ASN   4  -6.527  -4.408  11.489
   28    H    GLY   5           H        GLY   5  -1.275  -7.148  11.436
   29   1HA   GLY   5          1HA       GLY   5   0.885  -6.173  11.101
   30   2HA   GLY   5          2HA       GLY   5   0.117  -4.653  10.687
   31    H    GLY   6           H        GLY   6  -1.910  -4.601  12.767
   32   1HA   GLY   6          1HA       GLY   6  -1.689  -4.973  15.259
   33   2HA   GLY   6          2HA       GLY   6  -0.161  -4.132  15.101
   34    H    CYS   7           H        CYS   7  -3.507  -3.633  13.748
   35    HA   CYS   7           HA       CYS   7  -3.265  -0.856  14.649
   36   1HB   CYS   7          1HB       CYS   7  -4.670  -2.065  12.274
   37   2HB   CYS   7          2HB       CYS   7  -5.093  -0.479  12.885
   38    H    LEU   8           H        LEU   8  -5.805   0.018  14.772
   39    HA   LEU   8           HA       LEU   8  -6.922  -1.589  16.882
   40   1HB   LEU   8          1HB       LEU   8  -6.773   0.754  17.241
   41   2HB   LEU   8          2HB       LEU   8  -7.570   1.115  15.722
   42    HG   LEU   8           HG       LEU   8  -9.674   0.162  16.590
   43   1HD1  LEU   8          1HD1      LEU   8  -8.039  -1.093  18.466
   44   2HD1  LEU   8          2HD1      LEU   8  -8.949   0.117  19.402
   45   3HD1  LEU   8          3HD1      LEU   8  -9.819  -1.087  18.422
   46   1HD2  LEU   8          1HD2      LEU   8  -8.406   2.584  17.385
   47   2HD2  LEU   8          2HD2      LEU   8 -10.142   2.244  17.186
   48   3HD2  LEU   8          3HD2      LEU   8  -9.358   1.982  18.762
   49    H    ALA   9           H        ALA   9  -8.062  -0.252  13.701
   50    HA   ALA   9           HA       ALA   9  -9.107  -2.451  12.621
   51   1HB   ALA   9          1HB       ALA   9 -10.689  -1.667  14.986
   52   2HB   ALA   9          2HB       ALA   9 -11.658  -1.859  13.506
   53   3HB   ALA   9          3HB       ALA   9 -10.654  -3.207  14.093
   54    H    GLY  10           H        GLY  10  -8.661  -1.278  10.748
   55   1HA   GLY  10          1HA       GLY  10 -10.070  -0.159   9.072
   56   2HA   GLY  10          2HA       GLY  10 -10.412   1.063  10.282
   57    H    TYR  11           H        TYR  11  -7.735   1.198  11.462
   58    HA   TYR  11           HA       TYR  11  -6.603   3.127   9.813
   59   1HB   TYR  11          1HB       TYR  11  -5.512   1.277  12.023
   60   2HB   TYR  11          2HB       TYR  11  -4.633   2.679  11.448
   61    HD1  TYR  11           HD1      TYR  11  -5.749   4.988  11.703
   62    HD2  TYR  11           HD2      TYR  11  -7.125   1.482  13.732
   63    HE1  TYR  11           HE1      TYR  11  -6.973   6.438  13.396
   64    HE2  TYR  11           HE2      TYR  11  -8.343   2.944  15.419
   65    HH   TYR  11           HH       TYR  11  -8.756   4.952  16.088
   66    H    MET  12           H        MET  12  -4.524   3.144   8.684
   67    HA   MET  12           HA       MET  12  -3.954   0.505   7.575
   68   1HB   MET  12          1HB       MET  12  -2.992   2.001   5.637
   69   2HB   MET  12          2HB       MET  12  -4.735   1.888   5.784
   70   1HG   MET  12          1HG       MET  12  -4.836   4.036   6.977
   71   2HG   MET  12          2HG       MET  12  -3.087   4.124   7.059
   72   1HE   MET  12          1HE       MET  12  -3.824   6.372   6.405
   73   2HE   MET  12          2HE       MET  12  -2.512   6.481   5.206
   74   3HE   MET  12          3HE       MET  12  -4.174   6.928   4.750
   75    H    ARG  13           H        ARG  13  -1.624   0.209   6.807
   76    HA   ARG  13           HA       ARG  13   0.086   1.397   8.823
   77   1HB   ARG  13          1HB       ARG  13   0.404  -1.096   7.081
   78   2HB   ARG  13          2HB       ARG  13   1.666  -0.510   8.146
   79   1HG   ARG  13          1HG       ARG  13  -1.046  -0.830   9.383
   80   2HG   ARG  13          2HG       ARG  13  -0.238  -2.314   8.917
   81   1HD   ARG  13          1HD       ARG  13   1.706  -0.611  10.217
   82   2HD   ARG  13          2HD       ARG  13   0.272  -0.661  11.223
   83    HE   ARG  13           HE       ARG  13   0.593  -2.983  11.573
   84   1HH1  ARG  13          1HH1      ARG  13   2.842  -1.769   9.154
   85   2HH1  ARG  13          2HH1      ARG  13   3.822  -3.198   9.163
   86   1HH2  ARG  13          1HH2      ARG  13   1.885  -4.868  11.585
   87   2HH2  ARG  13          2HH2      ARG  13   3.274  -4.972  10.555
   88    H    THR  14           H        THR  14   1.036   3.268   8.027
   89    HA   THR  14           HA       THR  14   1.474   3.728   5.283
   90    HB   THR  14           HB       THR  14   2.484   5.785   6.101
   91    HG1  THR  14           HG1      THR  14   2.582   4.289   8.626
   92   1HG2  THR  14          1HG2      THR  14  -0.024   5.069   6.965
   93   2HG2  THR  14          2HG2      THR  14   0.804   5.269   8.528
   94   3HG2  THR  14          3HG2      THR  14   0.737   6.625   7.375
   95    H    ALA  15           H        ALA  15   4.099   4.783   5.175
   96    HA   ALA  15           HA       ALA  15   5.516   2.274   4.840
   97   1HB   ALA  15          1HB       ALA  15   5.261   4.456   3.250
   98   2HB   ALA  15          2HB       ALA  15   6.756   4.888   4.116
   99   3HB   ALA  15          3HB       ALA  15   6.669   3.367   3.194
  100    H    ASP  16           H        ASP  16   4.916   4.008   7.471
  101    HA   ASP  16           HA       ASP  16   7.703   4.027   8.326
  102   1HB   ASP  16          1HB       ASP  16   5.328   5.743   8.937
  103   2HB   ASP  16          2HB       ASP  16   6.354   5.373  10.308
  104    H    GLY  17           H        GLY  17   4.517   2.625   8.631
  105   1HA   GLY  17          1HA       GLY  17   4.138   0.594   9.717
  106   2HA   GLY  17          2HA       GLY  17   5.450   0.923  10.830
  107    H    ARG  18           H        ARG  18   3.769   3.825  10.462
  108    HA   ARG  18           HA       ARG  18   2.556   3.437  13.017
  109   1HB   ARG  18          1HB       ARG  18   2.572   5.904  11.206
  110   2HB   ARG  18          2HB       ARG  18   2.101   5.884  12.894
  111   1HG   ARG  18          1HG       ARG  18   4.472   4.942  13.383
  112   2HG   ARG  18          2HG       ARG  18   4.872   5.379  11.734
  113   1HD   ARG  18          1HD       ARG  18   3.514   7.551  13.245
  114   2HD   ARG  18          2HD       ARG  18   5.059   7.081  13.925
  115    HE   ARG  18           HE       ARG  18   5.332   7.340  11.077
  116   1HH1  ARG  18          1HH1      ARG  18   4.905   9.307  13.964
  117   2HH1  ARG  18          2HH1      ARG  18   5.683  10.698  13.287
  118   1HH2  ARG  18          1HH2      ARG  18   6.359   9.176  10.183
  119   2HH2  ARG  18          2HH2      ARG  18   6.516  10.623  11.122
  120    H    CYS  19           H        CYS  19   0.501   2.587  13.155
  121    HA   CYS  19           HA       CYS  19  -1.168   2.216  11.012
  122   1HB   CYS  19          1HB       CYS  19  -1.755   2.384  13.969
  123   2HB   CYS  19          2HB       CYS  19  -2.971   1.955  12.781
  124    H    LYS  20           H        LYS  20  -1.760   3.938   9.695
  125    HA   LYS  20           HA       LYS  20  -2.588   6.411  11.002
  126   1HB   LYS  20          1HB       LYS  20  -1.374   5.687   8.420
  127   2HB   LYS  20          2HB       LYS  20  -2.670   6.858   8.283
  128   1HG   LYS  20          1HG       LYS  20  -1.406   7.951  10.407
  129   2HG   LYS  20          2HG       LYS  20  -0.036   7.097   9.725
  130   1HD   LYS  20          1HD       LYS  20  -0.741   8.189   7.450
  131   2HD   LYS  20          2HD       LYS  20  -1.732   9.259   8.422
  132   1HE   LYS  20          1HE       LYS  20   0.357   9.825   9.783
  133   2HE   LYS  20          2HE       LYS  20   1.294   8.898   8.628
  134   1HZ   LYS  20          1HZ       LYS  20  -0.436  10.751   7.362
  135   2HZ   LYS  20          2HZ       LYS  20   0.603  11.492   8.381
  136   3HZ   LYS  20          3HZ       LYS  20   1.174  10.544   7.180
  137    HA   PRO  21           HA       PRO  21  -6.761   5.818  10.060
  138   1HB   PRO  21          1HB       PRO  21  -7.654   8.264   9.228
  139   2HB   PRO  21          2HB       PRO  21  -7.382   7.866  10.913
  140   1HG   PRO  21          1HG       PRO  21  -5.736   9.537   9.114
  141   2HG   PRO  21          2HG       PRO  21  -5.726   9.470  10.865
  142   1HD   PRO  21          1HD       PRO  21  -3.803   8.293   9.093
  143   2HD   PRO  21          2HD       PRO  21  -3.859   8.130  10.836
  144    H    THR  22           H        THR  22  -8.269   5.090   8.585
  145    HA   THR  22           HA       THR  22  -7.339   5.446   5.812
  146    HB   THR  22           HB       THR  22  -8.935   3.084   6.894
  147    HG1  THR  22           HG1      THR  22  -6.824   2.180   7.331
  148   1HG2  THR  22          1HG2      THR  22  -7.782   3.825   4.335
  149   2HG2  THR  22          2HG2      THR  22  -6.886   2.429   4.983
  150   3HG2  THR  22          3HG2      THR  22  -8.649   2.329   4.759
  151    H    PHE  23           H        PHE  23  -9.450   6.761   7.866
  152    HA   PHE  23           HA       PHE  23 -11.747   6.533   6.084
  153   1HB   PHE  23          1HB       PHE  23 -12.820   7.796   8.047
  154   2HB   PHE  23          2HB       PHE  23 -12.156   6.238   8.496
  155    HD1  PHE  23           HD1      PHE  23 -11.272   9.855   8.407
  156    HD2  PHE  23           HD2      PHE  23 -10.661   6.091  10.270
  157    HE1  PHE  23           HE1      PHE  23  -9.880  10.958  10.181
  158    HE2  PHE  23           HE2      PHE  23  -9.269   7.195  12.044
  159    HZ   PHE  23           HZ       PHE  23  -8.896   9.616  11.978
  Start of MODEL   24
    1    H    GLU   1           H        GLU   1  -5.462 -11.428   2.332
    2    HA   GLU   1           HA       GLU   1  -6.944  -9.558   2.211
    3   1HB   GLU   1          1HB       GLU   1  -7.023 -11.464   4.523
    4   2HB   GLU   1          2HB       GLU   1  -8.148 -10.122   4.580
    5   1HG   GLU   1          1HG       GLU   1  -8.102 -11.293   1.898
    6   2HG   GLU   1          2HG       GLU   1  -8.424 -12.530   3.096
    7    H    ASN   2           H        ASN   2  -4.921  -7.927   2.532
    8    HA   ASN   2           HA       ASN   2  -4.193  -6.094   3.430
    9   1HB   ASN   2          1HB       ASN   2  -6.970  -6.193   4.674
   10   2HB   ASN   2          2HB       ASN   2  -5.873  -4.894   5.096
   11   1HD2  ASN   2          2HD2      ASN   2  -6.356  -3.137   4.039
   12   2HD2  ASN   2          1HD2      ASN   2  -6.780  -2.995   2.365
   13    H    PHE   3           H        PHE   3  -3.663  -4.965   5.712
   14    HA   PHE   3           HA       PHE   3  -2.839  -7.120   7.474
   15   1HB   PHE   3          1HB       PHE   3  -1.911  -4.509   6.565
   16   2HB   PHE   3          2HB       PHE   3  -2.091  -4.427   8.306
   17    HD1  PHE   3           HD1      PHE   3  -0.940  -6.281   9.688
   18    HD2  PHE   3           HD2      PHE   3   0.004  -5.459   5.633
   19    HE1  PHE   3           HE1      PHE   3   1.277  -7.424   9.972
   20    HE2  PHE   3           HE2      PHE   3   2.221  -6.603   5.918
   21    HZ   PHE   3           HZ       PHE   3   2.831  -7.572   8.083
   22    H    ASN   4           H        ASN   4  -2.955  -6.709   9.900
   23    HA   ASN   4           HA       ASN   4  -4.593  -4.855  11.020
   24   1HB   ASN   4          1HB       ASN   4  -6.205  -6.583   9.540
   25   2HB   ASN   4          2HB       ASN   4  -6.249  -7.335  11.122
   26   1HD2  ASN   4          2HD2      ASN   4  -6.341  -5.552  12.952
   27   2HD2  ASN   4          1HD2      ASN   4  -7.626  -4.402  12.783
   28    H    GLY   5           H        GLY   5  -2.154  -6.251  11.557
   29   1HA   GLY   5          1HA       GLY   5  -2.868  -7.976  13.853
   30   2HA   GLY   5          2HA       GLY   5  -1.421  -8.153  12.880
   31    H    GLY   6           H        GLY   6  -2.898  -5.059  14.014
   32   1HA   GLY   6          1HA       GLY   6  -1.220  -4.692  16.249
   33   2HA   GLY   6          2HA       GLY   6  -0.473  -3.951  14.848
   34    H    CYS   7           H        CYS   7  -2.559  -2.936  13.355
   35    HA   CYS   7           HA       CYS   7  -3.143  -0.585  14.629
   36   1HB   CYS   7          1HB       CYS   7  -4.550  -1.954  12.332
   37   2HB   CYS   7          2HB       CYS   7  -4.912  -0.321  12.852
   38    H    LEU   8           H        LEU   8  -5.758   0.076  14.695
   39    HA   LEU   8           HA       LEU   8  -6.759  -1.578  16.842
   40   1HB   LEU   8          1HB       LEU   8  -6.736   0.772  17.206
   41   2HB   LEU   8          2HB       LEU   8  -7.561   1.090  15.694
   42    HG   LEU   8           HG       LEU   8  -9.592  -0.035  16.589
   43   1HD1  LEU   8          1HD1      LEU   8  -8.067  -1.312  18.335
   44   2HD1  LEU   8          2HD1      LEU   8  -8.485   0.082  19.360
   45   3HD1  LEU   8          3HD1      LEU   8  -9.773  -0.940  18.678
   46   1HD2  LEU   8          1HD2      LEU   8  -8.789   2.514  16.929
   47   2HD2  LEU   8          2HD2      LEU   8 -10.363   1.892  17.480
   48   3HD2  LEU   8          3HD2      LEU   8  -9.013   2.037  18.630
   49    H    ALA   9           H        ALA   9  -7.991  -0.278  13.679
   50    HA   ALA   9           HA       ALA   9  -8.905  -2.518  12.570
   51   1HB   ALA   9          1HB       ALA   9 -10.574  -1.814  14.928
   52   2HB   ALA   9          2HB       ALA   9 -11.470  -2.195  13.438
   53   3HB   ALA   9          3HB       ALA   9 -10.334  -3.383  14.122
   54    H    GLY  10           H        GLY  10  -8.578  -1.307  10.704
   55   1HA   GLY  10          1HA       GLY  10 -10.088  -0.245   9.074
   56   2HA   GLY  10          2HA       GLY  10 -10.459   0.944  10.307
   57    H    TYR  11           H        TYR  11  -7.678   1.062  11.390
   58    HA   TYR  11           HA       TYR  11  -6.703   3.096   9.710
   59   1HB   TYR  11          1HB       TYR  11  -5.528   1.351  11.962
   60   2HB   TYR  11          2HB       TYR  11  -4.699   2.764  11.340
   61    HD1  TYR  11           HD1      TYR  11  -7.629   1.596  13.262
   62    HD2  TYR  11           HD2      TYR  11  -5.402   5.001  11.940
   63    HE1  TYR  11           HE1      TYR  11  -8.888   3.067  14.911
   64    HE2  TYR  11           HE2      TYR  11  -6.668   6.461  13.593
   65    HH   TYR  11           HH       TYR  11  -8.362   6.567  14.967
   66    H    MET  12           H        MET  12  -4.541   3.175   8.669
   67    HA   MET  12           HA       MET  12  -3.907   0.555   7.551
   68   1HB   MET  12          1HB       MET  12  -3.031   1.957   5.578
   69   2HB   MET  12          2HB       MET  12  -4.765   2.033   5.814
   70   1HG   MET  12          1HG       MET  12  -4.619   4.204   6.895
   71   2HG   MET  12          2HG       MET  12  -2.876   4.090   7.041
   72   1HE   MET  12          1HE       MET  12  -2.304   6.003   6.262
   73   2HE   MET  12          2HE       MET  12  -1.952   6.343   4.552
   74   3HE   MET  12          3HE       MET  12  -3.472   6.917   5.278
   75    H    ARG  13           H        ARG  13  -1.561   0.296   6.840
   76    HA   ARG  13           HA       ARG  13   0.090   1.555   8.863
   77   1HB   ARG  13          1HB       ARG  13  -0.175  -1.100   8.253
   78   2HB   ARG  13          2HB       ARG  13   1.155  -0.699   7.185
   79   1HG   ARG  13          1HG       ARG  13   2.542  -0.914   8.968
   80   2HG   ARG  13          2HG       ARG  13   1.848   0.565   9.603
   81   1HD   ARG  13          1HD       ARG  13   1.556  -1.025  11.360
   82   2HD   ARG  13          2HD       ARG  13  -0.026  -0.912  10.615
   83    HE   ARG  13           HE       ARG  13   0.166  -3.155  10.017
   84   1HH1  ARG  13          1HH1      ARG  13   3.401  -1.833  10.429
   85   2HH1  ARG  13          2HH1      ARG  13   4.193  -3.349  10.156
   86   1HH2  ARG  13          1HH2      ARG  13   1.211  -5.155   9.656
   87   2HH2  ARG  13          2HH2      ARG  13   2.939  -5.251   9.713
   88    H    THR  14           H        THR  14   1.096   3.391   8.076
   89    HA   THR  14           HA       THR  14   1.491   3.915   5.360
   90    HB   THR  14           HB       THR  14   2.691   5.862   6.216
   91    HG1  THR  14           HG1      THR  14   2.841   4.091   8.551
   92   1HG2  THR  14          1HG2      THR  14   0.178   5.108   7.300
   93   2HG2  THR  14          2HG2      THR  14   1.156   5.596   8.704
   94   3HG2  THR  14          3HG2      THR  14   0.908   6.730   7.356
   95    H    ALA  15           H        ALA  15   4.302   4.858   5.524
   96    HA   ALA  15           HA       ALA  15   5.490   2.292   4.813
   97   1HB   ALA  15          1HB       ALA  15   5.451   4.282   3.238
   98   2HB   ALA  15          2HB       ALA  15   6.558   5.104   4.364
   99   3HB   ALA  15          3HB       ALA  15   7.066   3.603   3.552
  100    H    ASP  16           H        ASP  16   5.060   3.938   7.596
  101    HA   ASP  16           HA       ASP  16   7.804   3.454   8.454
  102   1HB   ASP  16          1HB       ASP  16   6.246   5.772   8.698
  103   2HB   ASP  16          2HB       ASP  16   6.072   5.021  10.272
  104    H    GLY  17           H        GLY  17   4.527   2.437   8.547
  105   1HA   GLY  17          1HA       GLY  17   3.838   0.472   9.595
  106   2HA   GLY  17          2HA       GLY  17   5.074   0.673  10.822
  107    H    ARG  18           H        ARG  18   3.897   3.751  10.473
  108    HA   ARG  18           HA       ARG  18   2.518   3.611  12.896
  109   1HB   ARG  18          1HB       ARG  18   2.512   5.867  10.828
  110   2HB   ARG  18          2HB       ARG  18   2.086   6.030  12.520
  111   1HG   ARG  18          1HG       ARG  18   4.311   5.770  13.255
  112   2HG   ARG  18          2HG       ARG  18   4.795   4.884  11.822
  113   1HD   ARG  18          1HD       ARG  18   5.647   6.843  11.034
  114   2HD   ARG  18          2HD       ARG  18   3.993   7.367  10.785
  115    HE   ARG  18           HE       ARG  18   4.123   8.706  12.727
  116   1HH1  ARG  18          1HH1      ARG  18   6.940   6.609  12.502
  117   2HH1  ARG  18          2HH1      ARG  18   7.807   7.425  13.760
  118   1HH2  ARG  18          1HH2      ARG  18   5.267   9.784  14.386
  119   2HH2  ARG  18          2HH2      ARG  18   6.849   9.244  14.838
  120    H    CYS  19           H        CYS  19   0.463   2.785  13.141
  121    HA   CYS  19           HA       CYS  19  -1.231   2.309  10.987
  122   1HB   CYS  19          1HB       CYS  19  -1.758   2.424  13.961
  123   2HB   CYS  19          2HB       CYS  19  -2.963   1.935  12.786
  124    H    LYS  20           H        LYS  20  -1.836   4.079   9.725
  125    HA   LYS  20           HA       LYS  20  -2.781   6.457  11.134
  126   1HB   LYS  20          1HB       LYS  20  -1.188   6.051   8.830
  127   2HB   LYS  20          2HB       LYS  20  -2.707   6.714   8.260
  128   1HG   LYS  20          1HG       LYS  20  -1.790   8.731   8.834
  129   2HG   LYS  20          2HG       LYS  20  -2.288   8.305  10.459
  130   1HD   LYS  20          1HD       LYS  20  -0.132   7.840  11.156
  131   2HD   LYS  20          2HD       LYS  20   0.345   7.176   9.606
  132   1HE   LYS  20          1HE       LYS  20   1.399   9.131   9.144
  133   2HE   LYS  20          2HE       LYS  20  -0.164   9.921   9.091
  134   1HZ   LYS  20          1HZ       LYS  20   0.233   9.795  11.694
  135   2HZ   LYS  20          2HZ       LYS  20   1.786   9.898  11.199
  136   3HZ   LYS  20          3HZ       LYS  20   0.717  11.059  10.780
  137    HA   PRO  21           HA       PRO  21  -6.893   5.711  10.049
  138   1HB   PRO  21          1HB       PRO  21  -7.898   8.188   9.481
  139   2HB   PRO  21          2HB       PRO  21  -7.641   7.609  11.116
  140   1HG   PRO  21          1HG       PRO  21  -6.049   9.562   9.569
  141   2HG   PRO  21          2HG       PRO  21  -6.074   9.291  11.300
  142   1HD   PRO  21          1HD       PRO  21  -4.052   8.430   9.458
  143   2HD   PRO  21          2HD       PRO  21  -4.137   8.061  11.168
  144    H    THR  22           H        THR  22  -8.280   5.028   8.458
  145    HA   THR  22           HA       THR  22  -7.578   6.018   5.784
  146    HB   THR  22           HB       THR  22  -7.382   3.245   6.915
  147    HG1  THR  22           HG1      THR  22  -5.891   3.386   4.906
  148   1HG2  THR  22          1HG2      THR  22  -8.464   3.884   4.122
  149   2HG2  THR  22          2HG2      THR  22  -7.709   2.331   4.556
  150   3HG2  THR  22          3HG2      THR  22  -9.223   2.836   5.345
  151    H    PHE  23           H        PHE  23  -9.839   6.006   8.110
  152    HA   PHE  23           HA       PHE  23 -12.059   5.177   6.449
  153   1HB   PHE  23          1HB       PHE  23 -13.297   5.920   8.587
  154   2HB   PHE  23          2HB       PHE  23 -12.112   4.657   8.849
  155    HD1  PHE  23           HD1      PHE  23 -12.430   8.371   8.941
  156    HD2  PHE  23           HD2      PHE  23 -10.532   4.921  10.523
  157    HE1  PHE  23           HE1      PHE  23 -11.304   9.788  10.679
  158    HE2  PHE  23           HE2      PHE  23  -9.405   6.339  12.262
  159    HZ   PHE  23           HZ       PHE  23  -9.805   8.755  12.320
  Start of MODEL   25
    1    H    GLU   1           H        GLU   1  -1.041 -12.629   4.040
    2    HA   GLU   1           HA       GLU   1  -2.010 -11.723   2.054
    3   1HB   GLU   1          1HB       GLU   1  -2.846 -13.915   3.103
    4   2HB   GLU   1          2HB       GLU   1  -4.208 -13.004   3.726
    5   1HG   GLU   1          1HG       GLU   1  -4.730 -12.261   1.356
    6   2HG   GLU   1          2HG       GLU   1  -3.442 -13.303   0.784
    7    H    ASN   2           H        ASN   2  -4.183 -11.139   4.920
    8    HA   ASN   2           HA       ASN   2  -5.279  -8.891   3.471
    9   1HB   ASN   2          1HB       ASN   2  -6.202 -10.722   5.619
   10   2HB   ASN   2          2HB       ASN   2  -6.594  -9.046   5.948
   11   1HD2  ASN   2          2HD2      ASN   2  -7.852 -11.724   4.778
   12   2HD2  ASN   2          1HD2      ASN   2  -8.924 -11.142   3.547
   13    H    PHE   3           H        PHE   3  -5.666  -6.821   4.858
   14    HA   PHE   3           HA       PHE   3  -3.325  -6.416   6.574
   15   1HB   PHE   3          1HB       PHE   3  -4.543  -5.036   4.338
   16   2HB   PHE   3          2HB       PHE   3  -4.802  -4.019   5.741
   17    HD1  PHE   3           HD1      PHE   3  -2.071  -5.921   4.051
   18    HD2  PHE   3           HD2      PHE   3  -3.151  -2.518   6.344
   19    HE1  PHE   3           HE1      PHE   3   0.270  -5.041   3.846
   20    HE2  PHE   3           HE2      PHE   3  -0.809  -1.637   6.140
   21    HZ   PHE   3           HZ       PHE   3   0.873  -2.910   4.893
   22    H    ASN   4           H        ASN   4  -4.036  -6.900   8.648
   23    HA   ASN   4           HA       ASN   4  -5.446  -5.036  10.014
   24   1HB   ASN   4          1HB       ASN   4  -7.283  -6.460   8.474
   25   2HB   ASN   4          2HB       ASN   4  -7.328  -7.351   9.983
   26   1HD2  ASN   4          2HD2      ASN   4  -7.218  -5.796  11.978
   27   2HD2  ASN   4          1HD2      ASN   4  -8.373  -4.506  11.977
   28    H    GLY   5           H        GLY   5  -3.130  -6.682  10.299
   29   1HA   GLY   5          1HA       GLY   5  -3.898  -8.450  12.546
   30   2HA   GLY   5          2HA       GLY   5  -2.630  -8.840  11.400
   31    H    GLY   6           H        GLY   6  -3.395  -5.611  12.836
   32   1HA   GLY   6          1HA       GLY   6  -1.286  -5.717  14.757
   33   2HA   GLY   6          2HA       GLY   6  -0.797  -4.848  13.315
   34    H    CYS   7           H        CYS   7  -2.876  -3.385  12.451
   35    HA   CYS   7           HA       CYS   7  -3.007  -1.285  14.213
   36   1HB   CYS   7          1HB       CYS   7  -4.643  -2.058  11.814
   37   2HB   CYS   7          2HB       CYS   7  -5.063  -0.641  12.756
   38    H    LEU   8           H        LEU   8  -5.608  -0.447  14.610
   39    HA   LEU   8           HA       LEU   8  -6.563  -2.455  16.500
   40   1HB   LEU   8          1HB       LEU   8  -6.091  -0.361  17.493
   41   2HB   LEU   8          2HB       LEU   8  -6.945   0.520  16.242
   42    HG   LEU   8           HG       LEU   8  -9.089  -0.414  17.036
   43   1HD1  LEU   8          1HD1      LEU   8  -7.434  -2.281  18.363
   44   2HD1  LEU   8          2HD1      LEU   8  -8.270  -1.347  19.627
   45   3HD1  LEU   8          3HD1      LEU   8  -9.211  -2.182  18.368
   46   1HD2  LEU   8          1HD2      LEU   8  -7.342   1.130  18.946
   47   2HD2  LEU   8          2HD2      LEU   8  -8.640   1.716  17.878
   48   3HD2  LEU   8          3HD2      LEU   8  -9.041   0.760  19.325
   49    H    ALA   9           H        ALA   9  -7.802  -0.183  13.952
   50    HA   ALA   9           HA       ALA   9  -9.267  -1.918  12.526
   51   1HB   ALA   9          1HB       ALA   9 -10.464  -1.541  15.173
   52   2HB   ALA   9          2HB       ALA   9 -11.583  -1.104  13.859
   53   3HB   ALA   9          3HB       ALA   9 -10.855  -2.728  13.906
   54    H    GLY  10           H        GLY  10  -9.483  -0.687  10.733
   55   1HA   GLY  10          1HA       GLY  10 -10.433   1.026   9.508
   56   2HA   GLY  10          2HA       GLY  10 -10.721   1.943  10.973
   57    H    TYR  11           H        TYR  11  -7.556   0.528  10.865
   58    HA   TYR  11           HA       TYR  11  -6.451   3.056   9.844
   59   1HB   TYR  11          1HB       TYR  11  -5.419   1.199  12.074
   60   2HB   TYR  11          2HB       TYR  11  -4.741   2.761  11.656
   61    HD1  TYR  11           HD1      TYR  11  -6.857   4.641  11.580
   62    HD2  TYR  11           HD2      TYR  11  -6.478   1.226  14.130
   63    HE1  TYR  11           HE1      TYR  11  -8.365   5.748  13.300
   64    HE2  TYR  11           HE2      TYR  11  -7.987   2.346  15.842
   65    HH   TYR  11           HH       TYR  11  -8.509   4.930  16.363
   66    H    MET  12           H        MET  12  -4.431   2.910   8.719
   67    HA   MET  12           HA       MET  12  -3.809   0.166   7.934
   68   1HB   MET  12          1HB       MET  12  -2.920   1.490   5.793
   69   2HB   MET  12          2HB       MET  12  -4.632   1.149   5.944
   70   1HG   MET  12          1HG       MET  12  -5.166   3.374   6.541
   71   2HG   MET  12          2HG       MET  12  -3.553   3.715   7.135
   72   1HE   MET  12          1HE       MET  12  -3.840   5.825   6.104
   73   2HE   MET  12          2HE       MET  12  -3.286   6.203   4.455
   74   3HE   MET  12          3HE       MET  12  -5.003   5.838   4.755
   75    H    ARG  13           H        ARG  13  -1.501  -0.213   7.281
   76    HA   ARG  13           HA       ARG  13   0.184   1.321   9.044
   77   1HB   ARG  13          1HB       ARG  13   0.618  -1.296   7.523
   78   2HB   ARG  13          2HB       ARG  13   1.868  -0.542   8.492
   79   1HG   ARG  13          1HG       ARG  13  -0.546  -0.650  10.079
   80   2HG   ARG  13          2HG       ARG  13  -0.292  -2.234   9.374
   81   1HD   ARG  13          1HD       ARG  13   2.286  -1.512  10.196
   82   2HD   ARG  13          2HD       ARG  13   1.277  -0.836  11.460
   83    HE   ARG  13           HE       ARG  13   0.282  -3.429  11.028
   84   1HH1  ARG  13          1HH1      ARG  13   3.346  -2.001  12.004
   85   2HH1  ARG  13          2HH1      ARG  13   3.826  -3.366  12.955
   86   1HH2  ARG  13          1HH2      ARG  13   0.915  -5.232  12.282
   87   2HH2  ARG  13          2HH2      ARG  13   2.434  -5.217  13.114
   88    H    THR  14           H        THR  14   0.943   3.185   8.040
   89    HA   THR  14           HA       THR  14   1.295   3.459   5.282
   90    HB   THR  14           HB       THR  14   2.311   5.588   5.925
   91    HG1  THR  14           HG1      THR  14   3.339   5.704   7.951
   92   1HG2  THR  14          1HG2      THR  14  -0.120   4.678   7.148
   93   2HG2  THR  14          2HG2      THR  14   0.800   5.529   8.411
   94   3HG2  THR  14          3HG2      THR  14   0.393   6.363   6.893
   95    H    ALA  15           H        ALA  15   4.003   4.680   5.333
   96    HA   ALA  15           HA       ALA  15   5.450   2.165   4.960
   97   1HB   ALA  15          1HB       ALA  15   5.160   3.809   3.061
   98   2HB   ALA  15          2HB       ALA  15   6.145   4.963   3.991
   99   3HB   ALA  15          3HB       ALA  15   6.853   3.421   3.450
  100    H    ASP  16           H        ASP  16   4.862   4.064   7.488
  101    HA   ASP  16           HA       ASP  16   7.668   4.213   8.261
  102   1HB   ASP  16          1HB       ASP  16   6.392   6.379   8.267
  103   2HB   ASP  16          2HB       ASP  16   5.247   5.689   9.401
  104    H    GLY  17           H        GLY  17   4.568   2.702   8.714
  105   1HA   GLY  17          1HA       GLY  17   4.317   0.736   9.956
  106   2HA   GLY  17          2HA       GLY  17   5.585   1.247  11.051
  107    H    ARG  18           H        ARG  18   3.685   3.969  10.383
  108    HA   ARG  18           HA       ARG  18   2.472   3.726  12.962
  109   1HB   ARG  18          1HB       ARG  18   1.999   6.096  12.754
  110   2HB   ARG  18          2HB       ARG  18   3.608   5.847  12.107
  111   1HG   ARG  18          1HG       ARG  18   2.234   5.503   9.809
  112   2HG   ARG  18          2HG       ARG  18   1.051   6.487  10.648
  113   1HD   ARG  18          1HD       ARG  18   3.014   8.119  11.164
  114   2HD   ARG  18          2HD       ARG  18   3.933   7.215   9.978
  115    HE   ARG  18           HE       ARG  18   1.284   8.115   9.049
  116   1HH1  ARG  18          2HH1      ARG  18   4.722   8.840   9.245
  117   2HH1  ARG  18          1HH1      ARG  18   4.691   9.959   7.924
  118   1HH2  ARG  18          1HH2      ARG  18   1.243   9.592   7.306
  119   2HH2  ARG  18          2HH2      ARG  18   2.699  10.390   6.813
  120    H    CYS  19           H        CYS  19   0.415   2.916  13.226
  121    HA   CYS  19           HA       CYS  19  -1.185   2.314  10.996
  122   1HB   CYS  19          1HB       CYS  19  -1.578   2.189  13.970
  123   2HB   CYS  19          2HB       CYS  19  -2.929   1.914  12.889
  124    H    LYS  20           H        LYS  20  -1.897   4.082   9.782
  125    HA   LYS  20           HA       LYS  20  -3.097   6.296  11.279
  126   1HB   LYS  20          1HB       LYS  20  -1.536   6.080   8.783
  127   2HB   LYS  20          2HB       LYS  20  -2.931   7.134   8.673
  128   1HG   LYS  20          1HG       LYS  20  -1.587   7.600  11.209
  129   2HG   LYS  20          2HG       LYS  20  -0.410   7.687   9.914
  130   1HD   LYS  20          1HD       LYS  20  -2.296   9.161   8.719
  131   2HD   LYS  20          2HD       LYS  20  -2.868   9.390  10.360
  132   1HE   LYS  20          1HE       LYS  20  -0.559  10.167  11.024
  133   2HE   LYS  20          2HE       LYS  20  -0.047  10.006   9.356
  134   1HZ   LYS  20          1HZ       LYS  20  -2.315  11.684  10.165
  135   2HZ   LYS  20          2HZ       LYS  20  -0.790  12.252  10.025
  136   3HZ   LYS  20          3HZ       LYS  20  -1.567  11.663   8.714
  137    HA   PRO  21           HA       PRO  21  -7.019   5.347   9.742
  138   1HB   PRO  21          1HB       PRO  21  -8.142   7.766   9.144
  139   2HB   PRO  21          2HB       PRO  21  -8.005   7.151  10.779
  140   1HG   PRO  21          1HG       PRO  21  -6.417   9.262   9.453
  141   2HG   PRO  21          2HG       PRO  21  -6.590   8.932  11.165
  142   1HD   PRO  21          1HD       PRO  21  -4.340   8.277   9.510
  143   2HD   PRO  21          2HD       PRO  21  -4.565   7.845  11.193
  144    H    THR  22           H        THR  22  -8.209   4.641   8.002
  145    HA   THR  22           HA       THR  22  -6.812   5.030   5.502
  146    HB   THR  22           HB       THR  22  -9.406   3.500   5.887
  147    HG1  THR  22           HG1      THR  22  -8.123   1.901   6.965
  148   1HG2  THR  22          1HG2      THR  22  -7.010   3.441   4.097
  149   2HG2  THR  22          2HG2      THR  22  -7.557   1.850   4.679
  150   3HG2  THR  22          3HG2      THR  22  -8.675   2.899   3.774
  151    H    PHE  23           H        PHE  23  -8.719   7.070   7.135
  152    HA   PHE  23           HA       PHE  23 -10.180   7.859   4.714
  153   1HB   PHE  23          1HB       PHE  23 -11.689   9.006   6.427
  154   2HB   PHE  23          2HB       PHE  23 -11.650   7.264   6.617
  155    HD1  PHE  23           HD1      PHE  23  -9.913  10.317   7.882
  156    HD2  PHE  23           HD2      PHE  23 -11.278   6.388   8.723
  157    HE1  PHE  23           HE1      PHE  23  -9.230  10.593  10.281
  158    HE2  PHE  23           HE2      PHE  23 -10.594   6.665  11.123
  159    HZ   PHE  23           HZ       PHE  23  -9.578   8.764  11.872
  Start of MODEL   26
    1    H    GLU   1           H        GLU   1  -8.227 -14.864  14.263
    2    HA   GLU   1           HA       GLU   1  -7.370 -13.043  15.550
    3   1HB   GLU   1          1HB       GLU   1  -5.557 -14.832  13.972
    4   2HB   GLU   1          2HB       GLU   1  -4.789 -13.515  14.835
    5   1HG   GLU   1          1HG       GLU   1  -5.293 -14.389  16.916
    6   2HG   GLU   1          2HG       GLU   1  -6.838 -15.030  16.397
    7    H    ASN   2           H        ASN   2  -8.118 -10.986  14.754
    8    HA   ASN   2           HA       ASN   2  -7.372  -9.792  12.454
    9   1HB   ASN   2          1HB       ASN   2  -7.684  -7.593  13.792
   10   2HB   ASN   2          2HB       ASN   2  -9.033  -8.712  13.816
   11   1HD2  ASN   2          2HD2      ASN   2  -6.694  -7.029  15.619
   12   2HD2  ASN   2          1HD2      ASN   2  -7.044  -7.648  17.198
   13    H    PHE   3           H        PHE   3  -5.482  -8.735  11.715
   14    HA   PHE   3           HA       PHE   3  -3.571  -7.620  13.427
   15   1HB   PHE   3          1HB       PHE   3  -3.322 -10.229  13.694
   16   2HB   PHE   3          2HB       PHE   3  -2.764 -10.234  12.033
   17    HD1  PHE   3           HD1      PHE   3  -2.035  -8.633  15.319
   18    HD2  PHE   3           HD2      PHE   3  -0.502  -9.965  11.593
   19    HE1  PHE   3           HE1      PHE   3   0.297  -8.136  16.102
   20    HE2  PHE   3           HE2      PHE   3   1.830  -9.468  12.376
   21    HZ   PHE   3           HZ       PHE   3   2.203  -8.560  14.621
   22    H    ASN   4           H        ASN   4  -2.503  -6.098  12.237
   23    HA   ASN   4           HA       ASN   4  -1.878  -6.702   9.506
   24   1HB   ASN   4          1HB       ASN   4  -4.149  -5.726   9.296
   25   2HB   ASN   4          2HB       ASN   4  -3.690  -4.360  10.293
   26   1HD2  ASN   4          2HD2      ASN   4  -3.363  -2.595   9.200
   27   2HD2  ASN   4          1HD2      ASN   4  -2.669  -2.441   7.622
   28    H    GLY   5           H        GLY   5  -0.130  -6.432  11.665
   29   1HA   GLY   5          1HA       GLY   5   1.946  -5.280  11.608
   30   2HA   GLY   5          2HA       GLY   5   1.114  -3.809  11.144
   31    H    GLY   6           H        GLY   6  -1.118  -4.009  13.025
   32   1HA   GLY   6          1HA       GLY   6  -1.054  -4.430  15.532
   33   2HA   GLY   6          2HA       GLY   6   0.355  -3.389  15.508
   34    H    CYS   7           H        CYS   7  -2.863  -3.278  13.809
   35    HA   CYS   7           HA       CYS   7  -3.054  -0.500  14.690
   36   1HB   CYS   7          1HB       CYS   7  -4.359  -1.972  12.399
   37   2HB   CYS   7          2HB       CYS   7  -4.831  -0.362  12.900
   38    H    LEU   8           H        LEU   8  -5.731  -0.007  14.678
   39    HA   LEU   8           HA       LEU   8  -6.661  -1.725  16.827
   40   1HB   LEU   8          1HB       LEU   8  -6.691   0.606  17.284
   41   2HB   LEU   8          2HB       LEU   8  -7.511   0.968  15.778
   42    HG   LEU   8           HG       LEU   8  -9.533  -0.201  16.605
   43   1HD1  LEU   8          1HD1      LEU   8  -7.841  -1.409  18.409
   44   2HD1  LEU   8          2HD1      LEU   8  -8.715  -0.230  19.417
   45   3HD1  LEU   8          3HD1      LEU   8  -9.620  -1.432  18.466
   46   1HD2  LEU   8          1HD2      LEU   8  -8.399   2.116  18.162
   47   2HD2  LEU   8          2HD2      LEU   8  -9.614   2.119  16.863
   48   3HD2  LEU   8          3HD2      LEU   8 -10.035   1.489  18.473
   49    H    ALA   9           H        ALA   9  -7.890  -0.353  13.695
   50    HA   ALA   9           HA       ALA   9  -8.773  -2.590  12.538
   51   1HB   ALA   9          1HB       ALA   9 -10.513  -1.874  14.852
   52   2HB   ALA   9          2HB       ALA   9 -11.347  -2.308  13.340
   53   3HB   ALA   9          3HB       ALA   9 -10.213  -3.455  14.092
   54    H    GLY  10           H        GLY  10  -8.480  -1.429  10.655
   55   1HA   GLY  10          1HA       GLY  10  -9.937  -0.329   9.023
   56   2HA   GLY  10          2HA       GLY  10 -10.317   0.857  10.256
   57    H    TYR  11           H        TYR  11  -7.693   1.190  11.420
   58    HA   TYR  11           HA       TYR  11  -6.656   3.169   9.806
   59   1HB   TYR  11          1HB       TYR  11  -5.454   1.297  11.936
   60   2HB   TYR  11          2HB       TYR  11  -4.615   2.729  11.372
   61    HD1  TYR  11           HD1      TYR  11  -5.880   5.003  11.628
   62    HD2  TYR  11           HD2      TYR  11  -6.921   1.441  13.757
   63    HE1  TYR  11           HE1      TYR  11  -7.092   6.394  13.378
   64    HE2  TYR  11           HE2      TYR  11  -8.129   2.844  15.500
   65    HH   TYR  11           HH       TYR  11  -7.670   5.671  16.168
   66    H    MET  12           H        MET  12  -4.588   3.318   8.652
   67    HA   MET  12           HA       MET  12  -3.997   0.777   7.355
   68   1HB   MET  12          1HB       MET  12  -2.999   2.407   5.567
   69   2HB   MET  12          2HB       MET  12  -4.744   2.366   5.713
   70   1HG   MET  12          1HG       MET  12  -4.804   4.425   6.956
   71   2HG   MET  12          2HG       MET  12  -3.087   4.364   7.304
   72   1HE   MET  12          1HE       MET  12  -4.060   6.757   6.646
   73   2HE   MET  12          2HE       MET  12  -2.432   6.994   5.967
   74   3HE   MET  12          3HE       MET  12  -3.868   7.421   5.006
   75    H    ARG  13           H        ARG  13  -1.681   0.434   6.662
   76    HA   ARG  13           HA       ARG  13   0.030   1.468   8.760
   77   1HB   ARG  13          1HB       ARG  13   0.138  -0.901   8.791
   78   2HB   ARG  13          2HB       ARG  13   0.046  -1.031   7.046
   79   1HG   ARG  13          1HG       ARG  13   2.314  -0.751   6.767
   80   2HG   ARG  13          2HG       ARG  13   2.426   0.464   8.025
   81   1HD   ARG  13          1HD       ARG  13   2.456  -1.214   9.778
   82   2HD   ARG  13          2HD       ARG  13   1.982  -2.484   8.667
   83    HE   ARG  13           HE       ARG  13   4.303  -1.661   7.514
   84   1HH1  ARG  13          1HH1      ARG  13   3.537  -2.360  10.877
   85   2HH1  ARG  13          2HH1      ARG  13   5.148  -2.856  11.274
   86   1HH2  ARG  13          1HH2      ARG  13   6.429  -2.316   8.038
   87   2HH2  ARG  13          2HH2      ARG  13   6.804  -2.830   9.648
   88    H    THR  14           H        THR  14   1.197   3.263   8.123
   89    HA   THR  14           HA       THR  14   1.629   3.920   5.416
   90    HB   THR  14           HB       THR  14   2.826   5.807   6.382
   91    HG1  THR  14           HG1      THR  14   2.957   3.896   8.599
   92   1HG2  THR  14          1HG2      THR  14   0.329   4.912   7.574
   93   2HG2  THR  14          2HG2      THR  14   1.342   5.658   8.834
   94   3HG2  THR  14          3HG2      THR  14   0.918   6.579   7.371
   95    H    ALA  15           H        ALA  15   4.427   4.780   5.613
   96    HA   ALA  15           HA       ALA  15   5.582   2.216   4.865
   97   1HB   ALA  15          1HB       ALA  15   6.408   5.116   4.466
   98   2HB   ALA  15          2HB       ALA  15   7.401   3.729   3.957
   99   3HB   ALA  15          3HB       ALA  15   5.792   3.982   3.240
  100    H    ASP  16           H        ASP  16   5.125   3.789   7.702
  101    HA   ASP  16           HA       ASP  16   7.792   3.061   8.631
  102   1HB   ASP  16          1HB       ASP  16   6.492   5.555   8.813
  103   2HB   ASP  16          2HB       ASP  16   6.259   4.852  10.401
  104    H    GLY  17           H        GLY  17   4.556   2.197   8.506
  105   1HA   GLY  17          1HA       GLY  17   3.630   0.388   9.612
  106   2HA   GLY  17          2HA       GLY  17   4.767   0.583  10.931
  107    H    ARG  18           H        ARG  18   3.982   3.698  10.538
  108    HA   ARG  18           HA       ARG  18   2.450   3.860  12.775
  109   1HB   ARG  18          1HB       ARG  18   2.560   5.802  10.412
  110   2HB   ARG  18          2HB       ARG  18   1.942   6.212  12.000
  111   1HG   ARG  18          1HG       ARG  18   4.706   5.016  11.840
  112   2HG   ARG  18          2HG       ARG  18   4.506   6.674  11.307
  113   1HD   ARG  18          1HD       ARG  18   4.002   7.455  13.441
  114   2HD   ARG  18          2HD       ARG  18   3.211   5.967  13.921
  115    HE   ARG  18           HE       ARG  18   5.242   5.246  14.801
  116   1HH1  ARG  18          1HH1      ARG  18   5.899   7.627  12.295
  117   2HH1  ARG  18          2HH1      ARG  18   7.611   7.620  12.559
  118   1HH2  ARG  18          1HH2      ARG  18   7.501   5.237  15.149
  119   2HH2  ARG  18          2HH2      ARG  18   8.528   6.252  14.193
  120    H    CYS  19           H        CYS  19   0.389   3.092  13.127
  121    HA   CYS  19           HA       CYS  19  -1.306   2.426  10.982
  122   1HB   CYS  19          1HB       CYS  19  -1.798   2.616  13.958
  123   2HB   CYS  19          2HB       CYS  19  -2.990   2.041  12.810
  124    H    LYS  20           H        LYS  20  -1.815   4.246   9.694
  125    HA   LYS  20           HA       LYS  20  -2.815   6.612  11.056
  126   1HB   LYS  20          1HB       LYS  20  -1.422   6.061   8.585
  127   2HB   LYS  20          2HB       LYS  20  -2.898   6.943   8.249
  128   1HG   LYS  20          1HG       LYS  20  -2.172   8.846   9.323
  129   2HG   LYS  20          2HG       LYS  20  -1.392   7.950  10.612
  130   1HD   LYS  20          1HD       LYS  20   0.535   7.441   9.180
  131   2HD   LYS  20          2HD       LYS  20  -0.267   8.123   7.779
  132   1HE   LYS  20          1HE       LYS  20   0.162  10.303   8.414
  133   2HE   LYS  20          2HE       LYS  20  -0.058   9.966  10.120
  134   1HZ   LYS  20          1HZ       LYS  20   2.175   8.574   9.277
  135   2HZ   LYS  20          2HZ       LYS  20   2.320  10.092   8.691
  136   3HZ   LYS  20          3HZ       LYS  20   2.116   9.851  10.293
  137    HA   PRO  21           HA       PRO  21  -6.957   5.832  10.114
  138   1HB   PRO  21          1HB       PRO  21  -7.978   8.260   9.386
  139   2HB   PRO  21          2HB       PRO  21  -7.676   7.808  11.052
  140   1HG   PRO  21          1HG       PRO  21  -6.128   9.633   9.318
  141   2HG   PRO  21          2HG       PRO  21  -6.105   9.497  11.066
  142   1HD   PRO  21          1HD       PRO  21  -4.134   8.493   9.238
  143   2HD   PRO  21          2HD       PRO  21  -4.171   8.255  10.974
  144    H    THR  22           H        THR  22  -8.433   5.087   8.616
  145    HA   THR  22           HA       THR  22  -7.554   5.626   5.855
  146    HB   THR  22           HB       THR  22  -8.704   3.098   7.148
  147    HG1  THR  22           HG1      THR  22  -6.212   3.712   5.734
  148   1HG2  THR  22          1HG2      THR  22  -7.862   3.718   4.268
  149   2HG2  THR  22          2HG2      THR  22  -8.118   2.074   4.901
  150   3HG2  THR  22          3HG2      THR  22  -9.482   3.214   4.809
  151    H    PHE  23           H        PHE  23  -9.718   6.706   7.975
  152    HA   PHE  23           HA       PHE  23 -12.031   6.363   6.233
  153   1HB   PHE  23          1HB       PHE  23 -13.131   7.528   8.253
  154   2HB   PHE  23          2HB       PHE  23 -12.384   5.989   8.635
  155    HD1  PHE  23           HD1      PHE  23 -11.483   9.614   8.521
  156    HD2  PHE  23           HD2      PHE  23 -11.037   5.887  10.502
  157    HE1  PHE  23           HE1      PHE  23 -10.105  10.725  10.301
  158    HE2  PHE  23           HE2      PHE  23  -9.661   6.998  12.283
  159    HZ   PHE  23           HZ       PHE  23  -9.212   9.404  12.161
  Start of MODEL   27
    1    H    GLU   1           H        GLU   1 -10.228 -13.883  12.618
    2    HA   GLU   1           HA       GLU   1  -8.939 -13.092  10.770
    3   1HB   GLU   1          1HB       GLU   1  -9.628 -11.374  13.100
    4   2HB   GLU   1          2HB       GLU   1  -8.517 -10.641  11.960
    5   1HG   GLU   1          1HG       GLU   1 -10.123 -11.266  10.088
    6   2HG   GLU   1          2HG       GLU   1 -11.254 -11.827  11.304
    7    H    ASN   2           H        ASN   2  -6.985 -11.443  10.337
    8    HA   ASN   2           HA       ASN   2  -4.740 -12.460  11.898
    9   1HB   ASN   2          1HB       ASN   2  -4.933 -11.817   8.911
   10   2HB   ASN   2          2HB       ASN   2  -3.401 -12.077   9.723
   11   1HD2  ASN   2          2HD2      ASN   2  -4.545 -13.596   7.585
   12   2HD2  ASN   2          1HD2      ASN   2  -4.752 -15.229   8.122
   13    H    PHE   3           H        PHE   3  -3.152 -10.864  12.500
   14    HA   PHE   3           HA       PHE   3  -4.025  -8.252  12.768
   15   1HB   PHE   3          1HB       PHE   3  -1.549  -9.908  13.086
   16   2HB   PHE   3          2HB       PHE   3  -1.210  -8.206  12.839
   17    HD1  PHE   3           HD1      PHE   3  -2.727  -6.592  14.348
   18    HD2  PHE   3           HD2      PHE   3  -1.807 -10.635  15.257
   19    HE1  PHE   3           HE1      PHE   3  -3.179  -6.150  16.777
   20    HE2  PHE   3           HE2      PHE   3  -2.259 -10.192  17.685
   21    HZ   PHE   3           HZ       PHE   3  -2.939  -7.955  18.417
   22    H    ASN   4           H        ASN   4  -2.341  -6.364  12.018
   23    HA   ASN   4           HA       ASN   4  -1.602  -6.762   9.271
   24   1HB   ASN   4          1HB       ASN   4  -3.959  -5.999   9.089
   25   2HB   ASN   4          2HB       ASN   4  -3.635  -4.647  10.156
   26   1HD2  ASN   4          2HD2      ASN   4  -3.382  -2.795   9.193
   27   2HD2  ASN   4          1HD2      ASN   4  -2.726  -2.504   7.617
   28    H    GLY   5           H        GLY   5   0.064  -6.437  11.507
   29   1HA   GLY   5          1HA       GLY   5   2.027  -5.102  11.556
   30   2HA   GLY   5          2HA       GLY   5   1.079  -3.696  11.118
   31    H    GLY   6           H        GLY   6  -1.177  -4.170  12.923
   32   1HA   GLY   6          1HA       GLY   6  -1.261  -4.634  15.376
   33   2HA   GLY   6          2HA       GLY   6   0.176  -3.638  15.501
   34    H    CYS   7           H        CYS   7  -2.964  -3.349  13.677
   35    HA   CYS   7           HA       CYS   7  -3.095  -0.597  14.637
   36   1HB   CYS   7          1HB       CYS   7  -4.457  -1.982  12.322
   37   2HB   CYS   7          2HB       CYS   7  -4.842  -0.353  12.843
   38    H    LEU   8           H        LEU   8  -5.684   0.037  14.750
   39    HA   LEU   8           HA       LEU   8  -6.690  -1.702  16.828
   40   1HB   LEU   8          1HB       LEU   8  -6.663   0.629  17.292
   41   2HB   LEU   8          2HB       LEU   8  -7.480   1.016  15.791
   42    HG   LEU   8           HG       LEU   8  -9.520  -0.137  16.629
   43   1HD1  LEU   8          1HD1      LEU   8  -7.930  -1.430  18.372
   44   2HD1  LEU   8          2HD1      LEU   8  -8.533  -0.128  19.426
   45   3HD1  LEU   8          3HD1      LEU   8  -9.681  -1.215  18.608
   46   1HD2  LEU   8          1HD2      LEU   8  -8.334   2.242  18.014
   47   2HD2  LEU   8          2HD2      LEU   8  -9.697   2.143  16.873
   48   3HD2  LEU   8          3HD2      LEU   8  -9.903   1.600  18.556
   49    H    ALA   9           H        ALA   9  -7.902  -0.279  13.710
   50    HA   ALA   9           HA       ALA   9  -8.830  -2.482  12.531
   51   1HB   ALA   9          1HB       ALA   9 -10.595  -1.725  14.833
   52   2HB   ALA   9          2HB       ALA   9 -11.379  -2.251  13.324
   53   3HB   ALA   9          3HB       ALA   9 -10.231  -3.329  14.154
   54    H    GLY  10           H        GLY  10  -8.665  -1.397  10.612
   55   1HA   GLY  10          1HA       GLY  10 -10.065  -0.225   9.027
   56   2HA   GLY  10          2HA       GLY  10 -10.443   0.944  10.276
   57    H    TYR  11           H        TYR  11  -7.691   1.068  11.395
   58    HA   TYR  11           HA       TYR  11  -6.691   3.119   9.768
   59   1HB   TYR  11          1HB       TYR  11  -5.509   1.306  11.962
   60   2HB   TYR  11          2HB       TYR  11  -4.699   2.752  11.395
   61    HD1  TYR  11           HD1      TYR  11  -6.067   4.990  11.573
   62    HD2  TYR  11           HD2      TYR  11  -6.977   1.437  13.776
   63    HE1  TYR  11           HE1      TYR  11  -7.350   6.369  13.281
   64    HE2  TYR  11           HE2      TYR  11  -8.257   2.828  15.476
   65    HH   TYR  11           HH       TYR  11  -9.373   4.913  15.619
   66    H    MET  12           H        MET  12  -4.545   3.222   8.712
   67    HA   MET  12           HA       MET  12  -3.921   0.634   7.519
   68   1HB   MET  12          1HB       MET  12  -2.971   2.156   5.632
   69   2HB   MET  12          2HB       MET  12  -4.715   2.126   5.795
   70   1HG   MET  12          1HG       MET  12  -4.768   4.261   6.893
   71   2HG   MET  12          2HG       MET  12  -3.055   4.216   7.257
   72   1HE   MET  12          1HE       MET  12  -2.344   6.418   6.300
   73   2HE   MET  12          2HE       MET  12  -2.893   7.086   4.745
   74   3HE   MET  12          3HE       MET  12  -4.062   6.810   6.058
   75    H    ARG  13           H        ARG  13  -1.592   0.310   6.874
   76    HA   ARG  13           HA       ARG  13   0.070   1.517   8.917
   77   1HB   ARG  13          1HB       ARG  13   1.609  -0.401   8.498
   78   2HB   ARG  13          2HB       ARG  13  -0.006  -0.960   8.885
   79   1HG   ARG  13          1HG       ARG  13   0.024  -2.155   6.958
   80   2HG   ARG  13          2HG       ARG  13  -0.057  -0.639   6.083
   81   1HD   ARG  13          1HD       ARG  13   2.158  -0.721   5.473
   82   2HD   ARG  13          2HD       ARG  13   2.675  -1.292   7.048
   83    HE   ARG  13           HE       ARG  13   1.204  -3.267   5.415
   84   1HH1  ARG  13          1HH1      ARG  13   4.338  -2.014   6.410
   85   2HH1  ARG  13          2HH1      ARG  13   5.196  -3.453   5.970
   86   1HH2  ARG  13          1HH2      ARG  13   2.334  -5.166   4.835
   87   2HH2  ARG  13          2HH2      ARG  13   4.048  -5.258   5.068
   88    H    THR  14           H        THR  14   1.091   3.354   8.145
   89    HA   THR  14           HA       THR  14   1.559   3.850   5.427
   90    HB   THR  14           HB       THR  14   3.119   5.648   6.537
   91    HG1  THR  14           HG1      THR  14   2.524   5.662   8.922
   92   1HG2  THR  14          1HG2      THR  14   0.555   5.897   6.021
   93   2HG2  THR  14          2HG2      THR  14   0.327   5.558   7.754
   94   3HG2  THR  14          3HG2      THR  14   1.263   6.983   7.242
   95    H    ALA  15           H        ALA  15   4.194   4.740   5.211
   96    HA   ALA  15           HA       ALA  15   5.471   2.205   4.744
   97   1HB   ALA  15          1HB       ALA  15   5.430   4.223   3.171
   98   2HB   ALA  15          2HB       ALA  15   6.583   4.994   4.287
   99   3HB   ALA  15          3HB       ALA  15   7.024   3.484   3.456
  100    H    ASP  16           H        ASP  16   5.010   3.912   7.498
  101    HA   ASP  16           HA       ASP  16   7.745   3.456   8.394
  102   1HB   ASP  16          1HB       ASP  16   5.689   5.532   8.991
  103   2HB   ASP  16          2HB       ASP  16   6.539   4.932  10.400
  104    H    GLY  17           H        GLY  17   4.416   2.492   8.536
  105   1HA   GLY  17          1HA       GLY  17   3.748   0.493   9.554
  106   2HA   GLY  17          2HA       GLY  17   4.999   0.676  10.767
  107    H    ARG  18           H        ARG  18   3.893   3.765  10.522
  108    HA   ARG  18           HA       ARG  18   2.519   3.601  12.937
  109   1HB   ARG  18          1HB       ARG  18   2.474   5.902  10.921
  110   2HB   ARG  18          2HB       ARG  18   2.145   6.024  12.637
  111   1HG   ARG  18          1HG       ARG  18   4.512   5.169  13.073
  112   2HG   ARG  18          2HG       ARG  18   4.810   5.277  11.349
  113   1HD   ARG  18          1HD       ARG  18   5.437   7.435  11.735
  114   2HD   ARG  18          2HD       ARG  18   3.730   7.787  11.913
  115    HE   ARG  18           HE       ARG  18   3.995   7.898  14.255
  116   1HH1  ARG  18          1HH1      ARG  18   6.904   6.591  12.768
  117   2HH1  ARG  18          2HH1      ARG  18   7.849   6.705  14.215
  118   1HH2  ARG  18          1HH2      ARG  18   5.241   8.048  16.165
  119   2HH2  ARG  18          2HH2      ARG  18   6.896   7.539  16.160
  120    H    CYS  19           H        CYS  19   0.471   2.751  13.166
  121    HA   CYS  19           HA       CYS  19  -1.256   2.360  11.024
  122   1HB   CYS  19          1HB       CYS  19  -1.784   2.403  14.001
  123   2HB   CYS  19          2HB       CYS  19  -2.960   1.900  12.804
  124    H    LYS  20           H        LYS  20  -2.057   4.077   9.835
  125    HA   LYS  20           HA       LYS  20  -2.975   6.414  11.355
  126   1HB   LYS  20          1HB       LYS  20  -1.385   6.119   8.950
  127   2HB   LYS  20          2HB       LYS  20  -2.827   7.056   8.616
  128   1HG   LYS  20          1HG       LYS  20  -2.228   8.777  10.066
  129   2HG   LYS  20          2HG       LYS  20  -1.369   7.709  11.159
  130   1HD   LYS  20          1HD       LYS  20   0.555   8.446  10.204
  131   2HD   LYS  20          2HD       LYS  20   0.116   7.513   8.787
  132   1HE   LYS  20          1HE       LYS  20  -1.298  10.103   8.895
  133   2HE   LYS  20          2HE       LYS  20   0.443  10.301   8.896
  134   1HZ   LYS  20          1HZ       LYS  20   0.453   8.732   6.981
  135   2HZ   LYS  20          2HZ       LYS  20  -1.174   8.865   6.917
  136   3HZ   LYS  20          3HZ       LYS  20  -0.236  10.181   6.678
  137    HA   PRO  21           HA       PRO  21  -7.008   5.727   9.969
  138   1HB   PRO  21          1HB       PRO  21  -7.979   8.208   9.361
  139   2HB   PRO  21          2HB       PRO  21  -7.827   7.614  11.003
  140   1HG   PRO  21          1HG       PRO  21  -6.144   9.584   9.580
  141   2HG   PRO  21          2HG       PRO  21  -6.279   9.297  11.303
  142   1HD   PRO  21          1HD       PRO  21  -4.141   8.457   9.585
  143   2HD   PRO  21          2HD       PRO  21  -4.334   8.070  11.284
  144    H    THR  22           H        THR  22  -8.297   5.067   8.285
  145    HA   THR  22           HA       THR  22  -7.397   6.060   5.670
  146    HB   THR  22           HB       THR  22  -7.232   3.329   6.822
  147    HG1  THR  22           HG1      THR  22  -5.854   3.371   4.732
  148   1HG2  THR  22          1HG2      THR  22  -9.242   3.053   5.295
  149   2HG2  THR  22          2HG2      THR  22  -8.271   3.734   3.967
  150   3HG2  THR  22          3HG2      THR  22  -7.802   2.187   4.712
  151    H    PHE  23           H        PHE  23  -9.821   6.064   7.847
  152    HA   PHE  23           HA       PHE  23 -11.953   5.278   6.082
  153   1HB   PHE  23          1HB       PHE  23 -13.290   6.191   8.088
  154   2HB   PHE  23          2HB       PHE  23 -12.164   4.913   8.501
  155    HD1  PHE  23           HD1      PHE  23 -12.221   8.642   8.243
  156    HD2  PHE  23           HD2      PHE  23 -10.826   5.231  10.349
  157    HE1  PHE  23           HE1      PHE  23 -11.155  10.135   9.956
  158    HE2  PHE  23           HE2      PHE  23  -9.761   6.724  12.062
  159    HZ   PHE  23           HZ       PHE  23  -9.938   9.159  11.844
  Start of MODEL   28
    1    H    GLU   1           H        GLU   1 -14.762  -8.145  17.119
    2    HA   GLU   1           HA       GLU   1 -12.659  -7.458  16.219
    3   1HB   GLU   1          1HB       GLU   1 -15.058  -6.111  15.966
    4   2HB   GLU   1          2HB       GLU   1 -13.987  -4.808  16.439
    5   1HG   GLU   1          1HG       GLU   1 -12.503  -5.211  14.574
    6   2HG   GLU   1          2HG       GLU   1 -13.245  -6.759  14.221
    7    H    ASN   2           H        ASN   2 -10.748  -7.381  17.384
    8    HA   ASN   2           HA       ASN   2 -10.108  -4.873  18.538
    9   1HB   ASN   2          1HB       ASN   2 -10.027  -7.349  20.338
   10   2HB   ASN   2          2HB       ASN   2  -9.515  -5.736  20.790
   11   1HD2  ASN   2          2HD2      ASN   2 -12.010  -7.944  20.788
   12   2HD2  ASN   2          1HD2      ASN   2 -13.347  -6.914  21.176
   13    H    PHE   3           H        PHE   3  -7.853  -4.575  18.271
   14    HA   PHE   3           HA       PHE   3  -5.862  -5.009  17.383
   15   1HB   PHE   3          1HB       PHE   3  -5.534  -5.733  19.719
   16   2HB   PHE   3          2HB       PHE   3  -6.335  -7.262  19.413
   17    HD1  PHE   3           HD1      PHE   3  -3.336  -5.309  18.375
   18    HD2  PHE   3           HD2      PHE   3  -5.061  -9.144  18.942
   19    HE1  PHE   3           HE1      PHE   3  -1.115  -6.378  17.900
   20    HE2  PHE   3           HE2      PHE   3  -2.841 -10.213  18.466
   21    HZ   PHE   3           HZ       PHE   3  -0.894  -8.817  17.951
   22    H    ASN   4           H        ASN   4  -6.288  -5.486  15.186
   23    HA   ASN   4           HA       ASN   4  -6.613  -8.318  14.616
   24   1HB   ASN   4          1HB       ASN   4  -7.130  -7.329  12.229
   25   2HB   ASN   4          2HB       ASN   4  -8.346  -7.159  13.480
   26   1HD2  ASN   4          2HD2      ASN   4  -6.606  -5.598  11.144
   27   2HD2  ASN   4          1HD2      ASN   4  -6.786  -3.949  11.644
   28    H    GLY   5           H        GLY   5  -4.081  -7.988  15.338
   29   1HA   GLY   5          1HA       GLY   5  -2.157  -8.742  14.112
   30   2HA   GLY   5          2HA       GLY   5  -2.569  -7.627  12.825
   31    H    GLY   6           H        GLY   6  -3.271  -5.315  14.416
   32   1HA   GLY   6          1HA       GLY   6  -1.296  -4.667  16.322
   33   2HA   GLY   6          2HA       GLY   6  -0.768  -4.122  14.742
   34    H    CYS   7           H        CYS   7  -2.648  -2.983  13.391
   35    HA   CYS   7           HA       CYS   7  -3.241  -0.636  14.627
   36   1HB   CYS   7          1HB       CYS   7  -4.636  -2.015  12.330
   37   2HB   CYS   7          2HB       CYS   7  -4.999  -0.375  12.829
   38    H    LEU   8           H        LEU   8  -5.745   0.148  14.819
   39    HA   LEU   8           HA       LEU   8  -6.825  -1.481  16.923
   40   1HB   LEU   8          1HB       LEU   8  -6.753   0.872  17.253
   41   2HB   LEU   8          2HB       LEU   8  -7.563   1.187  15.732
   42    HG   LEU   8           HG       LEU   8  -9.626   0.133  16.630
   43   1HD1  LEU   8          1HD1      LEU   8  -8.017  -1.058  18.473
   44   2HD1  LEU   8          2HD1      LEU   8  -8.714   0.269  19.432
   45   3HD1  LEU   8          3HD1      LEU   8  -9.783  -0.899  18.618
   46   1HD2  LEU   8          1HD2      LEU   8  -8.441   2.482  18.122
   47   2HD2  LEU   8          2HD2      LEU   8  -9.521   2.502  16.707
   48   3HD2  LEU   8          3HD2      LEU   8 -10.137   1.967  18.290
   49    H    ALA   9           H        ALA   9  -8.012  -0.217  13.728
   50    HA   ALA   9           HA       ALA   9  -8.987  -2.466  12.680
   51   1HB   ALA   9          1HB       ALA   9 -10.648  -1.626  14.996
   52   2HB   ALA   9          2HB       ALA   9 -11.548  -2.012  13.509
   53   3HB   ALA   9          3HB       ALA   9 -10.468  -3.226  14.236
   54    H    GLY  10           H        GLY  10  -8.693  -1.417  10.736
   55   1HA   GLY  10          1HA       GLY  10 -10.094  -0.336   9.063
   56   2HA   GLY  10          2HA       GLY  10 -10.467   0.902  10.247
   57    H    TYR  11           H        TYR  11  -7.812   1.185  11.414
   58    HA   TYR  11           HA       TYR  11  -6.742   3.099   9.721
   59   1HB   TYR  11          1HB       TYR  11  -5.615   1.324  11.972
   60   2HB   TYR  11          2HB       TYR  11  -4.730   2.699  11.342
   61    HD1  TYR  11           HD1      TYR  11  -7.677   1.652  13.298
   62    HD2  TYR  11           HD2      TYR  11  -5.371   4.973  11.900
   63    HE1  TYR  11           HE1      TYR  11  -8.876   3.183  14.936
   64    HE2  TYR  11           HE2      TYR  11  -6.577   6.494  13.543
   65    HH   TYR  11           HH       TYR  11  -8.995   5.167  15.783
   66    H    MET  12           H        MET  12  -4.617   3.154   8.636
   67    HA   MET  12           HA       MET  12  -4.021   0.528   7.511
   68   1HB   MET  12          1HB       MET  12  -3.177   1.874   5.524
   69   2HB   MET  12          2HB       MET  12  -4.887   2.105   5.827
   70   1HG   MET  12          1HG       MET  12  -4.611   4.325   6.278
   71   2HG   MET  12          2HG       MET  12  -3.275   4.018   7.370
   72   1HE   MET  12          1HE       MET  12  -4.309   5.925   5.094
   73   2HE   MET  12          2HE       MET  12  -2.727   6.720   4.906
   74   3HE   MET  12          3HE       MET  12  -3.456   5.852   3.533
   75    H    ARG  13           H        ARG  13  -1.654   0.365   6.662
   76    HA   ARG  13           HA       ARG  13   0.018   1.500   8.747
   77   1HB   ARG  13          1HB       ARG  13   0.439  -0.947   6.957
   78   2HB   ARG  13          2HB       ARG  13   1.612  -0.380   8.130
   79   1HG   ARG  13          1HG       ARG  13  -0.890  -0.551   9.514
   80   2HG   ARG  13          2HG       ARG  13  -0.751  -2.018   8.565
   81   1HD   ARG  13          1HD       ARG  13   1.836  -1.553   9.706
   82   2HD   ARG  13          2HD       ARG  13   0.676  -1.283  10.991
   83    HE   ARG  13           HE       ARG  13   0.018  -3.557  10.884
   84   1HH1  ARG  13          1HH1      ARG  13   2.215  -2.772   8.250
   85   2HH1  ARG  13          2HH1      ARG  13   2.485  -4.426   7.812
   86   1HH2  ARG  13          1HH2      ARG  13   0.374  -5.739  10.307
   87   2HH2  ARG  13          2HH2      ARG  13   1.431  -6.125   8.990
   88    H    THR  14           H        THR  14   1.061   3.339   8.025
   89    HA   THR  14           HA       THR  14   1.441   3.927   5.305
   90    HB   THR  14           HB       THR  14   2.629   5.870   6.211
   91    HG1  THR  14           HG1      THR  14   3.799   5.522   8.068
   92   1HG2  THR  14          1HG2      THR  14   0.129   4.949   7.417
   93   2HG2  THR  14          2HG2      THR  14   1.099   5.838   8.615
   94   3HG2  THR  14          3HG2      THR  14   0.651   6.617   7.079
   95    H    ALA  15           H        ALA  15   4.239   4.907   5.529
   96    HA   ALA  15           HA       ALA  15   5.487   2.338   4.887
   97   1HB   ALA  15          1HB       ALA  15   5.301   4.338   3.242
   98   2HB   ALA  15          2HB       ALA  15   6.568   5.091   4.239
   99   3HB   ALA  15          3HB       ALA  15   6.883   3.544   3.417
  100    H    ASP  16           H        ASP  16   5.016   3.996   7.597
  101    HA   ASP  16           HA       ASP  16   7.818   3.855   8.390
  102   1HB   ASP  16          1HB       ASP  16   5.593   5.716   9.013
  103   2HB   ASP  16          2HB       ASP  16   6.455   5.176  10.440
  104    H    GLY  17           H        GLY  17   4.609   2.542   8.673
  105   1HA   GLY  17          1HA       GLY  17   4.200   0.482   9.705
  106   2HA   GLY  17          2HA       GLY  17   5.487   0.784  10.855
  107    H    ARG  18           H        ARG  18   3.819   3.699  10.473
  108    HA   ARG  18           HA       ARG  18   2.560   3.293  13.004
  109   1HB   ARG  18          1HB       ARG  18   2.289   5.687  13.050
  110   2HB   ARG  18          2HB       ARG  18   3.850   5.405  12.304
  111   1HG   ARG  18          1HG       ARG  18   2.433   5.415  10.040
  112   2HG   ARG  18          2HG       ARG  18   1.263   6.289  11.009
  113   1HD   ARG  18          1HD       ARG  18   4.198   7.112  10.835
  114   2HD   ARG  18          2HD       ARG  18   2.975   7.735   9.746
  115    HE   ARG  18           HE       ARG  18   1.835   8.227  12.189
  116   1HH1  ARG  18          1HH1      ARG  18   5.047   8.888  10.914
  117   2HH1  ARG  18          2HH1      ARG  18   5.288  10.293  11.898
  118   1HH2  ARG  18          1HH2      ARG  18   2.152  10.080  13.488
  119   2HH2  ARG  18          2HH2      ARG  18   3.630  10.975  13.372
  120    H    CYS  19           H        CYS  19   0.444   2.634  13.207
  121    HA   CYS  19           HA       CYS  19  -1.178   2.219  10.991
  122   1HB   CYS  19          1HB       CYS  19  -1.834   2.369  13.937
  123   2HB   CYS  19          2HB       CYS  19  -2.993   1.900  12.708
  124    H    LYS  20           H        LYS  20  -1.896   3.896   9.701
  125    HA   LYS  20           HA       LYS  20  -2.677   6.375  11.045
  126   1HB   LYS  20          1HB       LYS  20  -1.278   5.755   8.594
  127   2HB   LYS  20          2HB       LYS  20  -2.710   6.699   8.236
  128   1HG   LYS  20          1HG       LYS  20  -2.035   8.381   9.961
  129   2HG   LYS  20          2HG       LYS  20  -0.606   7.436  10.327
  130   1HD   LYS  20          1HD       LYS  20   0.521   8.235   8.513
  131   2HD   LYS  20          2HD       LYS  20  -0.837   7.952   7.441
  132   1HE   LYS  20          1HE       LYS  20  -1.057  10.241   9.392
  133   2HE   LYS  20          2HE       LYS  20   0.023  10.442   8.026
  134   1HZ   LYS  20          1HZ       LYS  20  -2.626   9.395   7.498
  135   2HZ   LYS  20          2HZ       LYS  20  -2.497  10.984   7.850
  136   3HZ   LYS  20          3HZ       LYS  20  -1.689  10.362   6.574
  137    HA   PRO  21           HA       PRO  21  -6.837   5.792  10.043
  138   1HB   PRO  21          1HB       PRO  21  -7.727   8.249   9.245
  139   2HB   PRO  21          2HB       PRO  21  -7.473   7.822  10.925
  140   1HG   PRO  21          1HG       PRO  21  -5.812   9.529   9.174
  141   2HG   PRO  21          2HG       PRO  21  -5.820   9.432  10.924
  142   1HD   PRO  21          1HD       PRO  21  -3.875   8.292   9.152
  143   2HD   PRO  21          2HD       PRO  21  -3.949   8.096  10.891
  144    H    THR  22           H        THR  22  -8.352   5.121   8.536
  145    HA   THR  22           HA       THR  22  -7.395   5.534   5.779
  146    HB   THR  22           HB       THR  22  -8.614   3.104   7.181
  147    HG1  THR  22           HG1      THR  22  -6.253   3.514   5.499
  148   1HG2  THR  22          1HG2      THR  22  -8.030   3.601   4.214
  149   2HG2  THR  22          2HG2      THR  22  -8.298   1.990   4.923
  150   3HG2  THR  22          3HG2      THR  22  -9.610   3.192   4.925
  151    H    PHE  23           H        PHE  23  -9.531   6.775   7.845
  152    HA   PHE  23           HA       PHE  23 -11.756   6.635   5.942
  153   1HB   PHE  23          1HB       PHE  23 -13.039   7.483   7.973
  154   2HB   PHE  23          2HB       PHE  23 -12.262   5.941   8.271
  155    HD1  PHE  23           HD1      PHE  23 -12.241   9.510   9.056
  156    HD2  PHE  23           HD2      PHE  23 -10.358   5.776   9.777
  157    HE1  PHE  23           HE1      PHE  23 -11.080  10.481  11.058
  158    HE2  PHE  23           HE2      PHE  23  -9.196   6.748  11.778
  159    HZ   PHE  23           HZ       PHE  23  -9.571   9.088  12.395
  Start of MODEL   29
    1    H    GLU   1           H        GLU   1   0.050  -8.092  12.690
    2    HA   GLU   1           HA       GLU   1   2.123  -8.187  11.508
    3   1HB   GLU   1          1HB       GLU   1   0.007 -10.227  11.280
    4   2HB   GLU   1          2HB       GLU   1   1.218 -10.381  10.023
    5   1HG   GLU   1          1HG       GLU   1   2.965 -10.122  11.966
    6   2HG   GLU   1          2HG       GLU   1   1.619 -10.466  13.034
    7    H    ASN   2           H        ASN   2   1.402  -5.989  10.217
    8    HA   ASN   2           HA       ASN   2   1.606  -4.928   8.335
    9   1HB   ASN   2          1HB       ASN   2   2.929  -7.456   7.771
   10   2HB   ASN   2          2HB       ASN   2   2.074  -6.948   6.328
   11   1HD2  ASN   2          2HD2      ASN   2   4.741  -6.461   8.389
   12   2HD2  ASN   2          1HD2      ASN   2   5.469  -5.103   7.598
   13    H    PHE   3           H        PHE   3  -0.839  -6.771   9.174
   14    HA   PHE   3           HA       PHE   3  -2.282  -6.391   6.655
   15   1HB   PHE   3          1HB       PHE   3  -1.493  -8.846   7.666
   16   2HB   PHE   3          2HB       PHE   3  -3.002  -8.646   8.535
   17    HD1  PHE   3           HD1      PHE   3  -1.506  -8.913   5.174
   18    HD2  PHE   3           HD2      PHE   3  -5.099  -8.902   7.433
   19    HE1  PHE   3           HE1      PHE   3  -2.768  -9.747   3.171
   20    HE2  PHE   3           HE2      PHE   3  -6.361  -9.736   5.430
   21    HZ   PHE   3           HZ       PHE   3  -5.181 -10.149   3.323
   22    H    ASN   4           H        ASN   4  -2.610  -7.157  10.196
   23    HA   ASN   4           HA       ASN   4  -4.048  -4.926  10.790
   24   1HB   ASN   4          1HB       ASN   4  -5.689  -6.501   9.231
   25   2HB   ASN   4          2HB       ASN   4  -6.077  -7.138  10.816
   26   1HD2  ASN   4          2HD2      ASN   4  -6.446  -5.453  12.542
   27   2HD2  ASN   4          1HD2      ASN   4  -7.410  -4.075  12.127
   28    H    GLY   5           H        GLY   5  -2.004  -6.600  11.901
   29   1HA   GLY   5          1HA       GLY   5  -3.361  -7.838  14.222
   30   2HA   GLY   5          2HA       GLY   5  -1.843  -8.388  13.542
   31    H    GLY   6           H        GLY   6  -2.877  -4.965  14.036
   32   1HA   GLY   6          1HA       GLY   6  -1.287  -4.652  16.416
   33   2HA   GLY   6          2HA       GLY   6  -0.530  -3.979  14.986
   34    H    CYS   7           H        CYS   7  -2.585  -2.929  13.484
   35    HA   CYS   7           HA       CYS   7  -3.086  -0.531  14.717
   36   1HB   CYS   7          1HB       CYS   7  -4.375  -1.919  12.379
   37   2HB   CYS   7          2HB       CYS   7  -4.930  -0.348  12.919
   38    H    LEU   8           H        LEU   8  -5.650   0.242  14.792
   39    HA   LEU   8           HA       LEU   8  -6.715  -1.281  16.979
   40   1HB   LEU   8          1HB       LEU   8  -6.725   1.085  17.161
   41   2HB   LEU   8          2HB       LEU   8  -7.506   1.282  15.605
   42    HG   LEU   8           HG       LEU   8  -9.580   0.330  16.479
   43   1HD1  LEU   8          1HD1      LEU   8  -8.353  -1.171  18.152
   44   2HD1  LEU   8          2HD1      LEU   8  -8.354   0.243  19.234
   45   3HD1  LEU   8          3HD1      LEU   8  -9.894  -0.445  18.668
   46   1HD2  LEU   8          1HD2      LEU   8  -8.468   2.816  17.143
   47   2HD2  LEU   8          2HD2      LEU   8 -10.189   2.363  17.130
   48   3HD2  LEU   8          3HD2      LEU   8  -9.244   2.230  18.634
   49    H    ALA   9           H        ALA   9  -7.948  -0.229  13.723
   50    HA   ALA   9           HA       ALA   9  -8.811  -2.558  12.764
   51   1HB   ALA   9          1HB       ALA   9 -10.574  -1.667  15.014
   52   2HB   ALA   9          2HB       ALA   9 -11.364  -2.331  13.564
   53   3HB   ALA   9          3HB       ALA   9 -10.176  -3.310  14.457
   54    H    GLY  10           H        GLY  10  -8.323  -1.272  10.918
   55   1HA   GLY  10          1HA       GLY  10  -9.901  -0.410   9.171
   56   2HA   GLY  10          2HA       GLY  10 -10.311   0.838  10.332
   57    H    TYR  11           H        TYR  11  -7.617   1.174  11.464
   58    HA   TYR  11           HA       TYR  11  -6.644   3.139   9.778
   59   1HB   TYR  11          1HB       TYR  11  -5.403   1.339  11.947
   60   2HB   TYR  11          2HB       TYR  11  -4.561   2.739  11.312
   61    HD1  TYR  11           HD1      TYR  11  -7.412   1.610  13.360
   62    HD2  TYR  11           HD2      TYR  11  -5.223   4.996  11.929
   63    HE1  TYR  11           HE1      TYR  11  -8.571   3.091  15.070
   64    HE2  TYR  11           HE2      TYR  11  -6.390   6.466  13.644
   65    HH   TYR  11           HH       TYR  11  -9.051   5.883  15.002
   66    H    MET  12           H        MET  12  -4.559   3.267   8.621
   67    HA   MET  12           HA       MET  12  -3.992   0.698   7.364
   68   1HB   MET  12          1HB       MET  12  -3.011   2.304   5.532
   69   2HB   MET  12          2HB       MET  12  -4.755   2.229   5.684
   70   1HG   MET  12          1HG       MET  12  -4.874   4.323   6.829
   71   2HG   MET  12          2HG       MET  12  -3.177   4.287   7.266
   72   1HE   MET  12          1HE       MET  12  -4.108   6.656   6.520
   73   2HE   MET  12          2HE       MET  12  -2.456   6.889   5.901
   74   3HE   MET  12          3HE       MET  12  -3.856   7.291   4.877
   75    H    ARG  13           H        ARG  13  -1.678   0.375   6.617
   76    HA   ARG  13           HA       ARG  13   0.047   1.362   8.716
   77   1HB   ARG  13          1HB       ARG  13   0.400  -0.901   6.687
   78   2HB   ARG  13          2HB       ARG  13   1.605  -0.472   7.885
   79   1HG   ARG  13          1HG       ARG  13  -0.924  -0.747   9.247
   80   2HG   ARG  13          2HG       ARG  13  -0.724  -2.146   8.210
   81   1HD   ARG  13          1HD       ARG  13   1.751  -2.165   9.213
   82   2HD   ARG  13          2HD       ARG  13   1.028  -1.219  10.499
   83    HE   ARG  13           HE       ARG  13  -0.631  -3.506   9.963
   84   1HH1  ARG  13          1HH1      ARG  13   2.460  -2.653  11.412
   85   2HH1  ARG  13          2HH1      ARG  13   2.472  -4.006  12.493
   86   1HH2  ARG  13          1HH2      ARG  13  -0.616  -5.292  11.388
   87   2HH2  ARG  13          2HH2      ARG  13   0.710  -5.517  12.480
   88    H    THR  14           H        THR  14   1.042   3.290   8.149
   89    HA   THR  14           HA       THR  14   1.490   4.050   5.467
   90    HB   THR  14           HB       THR  14   2.711   5.938   6.594
   91    HG1  THR  14           HG1      THR  14   3.304   5.592   8.740
   92   1HG2  THR  14          1HG2      THR  14   0.215   5.058   8.141
   93   2HG2  THR  14          2HG2      THR  14   0.902   6.700   8.126
   94   3HG2  THR  14          3HG2      THR  14   0.199   6.016   6.642
   95    H    ALA  15           H        ALA  15   4.137   5.111   5.559
   96    HA   ALA  15           HA       ALA  15   5.551   2.637   4.969
   97   1HB   ALA  15          1HB       ALA  15   5.308   5.006   3.620
   98   2HB   ALA  15          2HB       ALA  15   6.840   5.266   4.487
   99   3HB   ALA  15          3HB       ALA  15   6.656   3.866   3.405
  100    H    ASP  16           H        ASP  16   4.913   3.724   7.778
  101    HA   ASP  16           HA       ASP  16   7.693   3.721   8.648
  102   1HB   ASP  16          1HB       ASP  16   6.539   5.985   8.878
  103   2HB   ASP  16          2HB       ASP  16   5.396   5.236   9.974
  104    H    GLY  17           H        GLY  17   4.974   1.939   8.393
  105   1HA   GLY  17          1HA       GLY  17   4.281   0.068   9.454
  106   2HA   GLY  17          2HA       GLY  17   5.554   0.277  10.640
  107    H    ARG  18           H        ARG  18   3.750   3.180  10.286
  108    HA   ARG  18           HA       ARG  18   2.695   2.848  12.880
  109   1HB   ARG  18          1HB       ARG  18   3.013   5.017  10.899
  110   2HB   ARG  18          2HB       ARG  18   1.491   5.139  11.759
  111   1HG   ARG  18          1HG       ARG  18   3.747   4.488  13.553
  112   2HG   ARG  18          2HG       ARG  18   3.988   6.000  12.700
  113   1HD   ARG  18          1HD       ARG  18   1.538   6.580  13.413
  114   2HD   ARG  18          2HD       ARG  18   1.678   5.239  14.532
  115    HE   ARG  18           HE       ARG  18   3.926   7.119  14.679
  116   1HH1  ARG  18          1HH1      ARG  18   0.698   6.372  15.865
  117   2HH1  ARG  18          2HH1      ARG  18   0.884   7.285  17.324
  118   1HH2  ARG  18          1HH2      ARG  18   4.172   8.324  16.605
  119   2HH2  ARG  18          2HH2      ARG  18   2.873   8.404  17.748
  120    H    CYS  19           H        CYS  19   0.185   4.143  12.804
  121    HA   CYS  19           HA       CYS  19  -1.397   2.469  11.006
  122   1HB   CYS  19          1HB       CYS  19  -1.814   2.803  13.980
  123   2HB   CYS  19          2HB       CYS  19  -3.046   2.193  12.892
  124    H    LYS  20           H        LYS  20  -1.884   4.247   9.642
  125    HA   LYS  20           HA       LYS  20  -2.899   6.658  10.915
  126   1HB   LYS  20          1HB       LYS  20  -1.515   6.012   8.442
  127   2HB   LYS  20          2HB       LYS  20  -2.960   6.950   8.123
  128   1HG   LYS  20          1HG       LYS  20  -1.041   8.450   8.532
  129   2HG   LYS  20          2HG       LYS  20  -2.250   8.658   9.784
  130   1HD   LYS  20          1HD       LYS  20  -0.937   7.044  11.242
  131   2HD   LYS  20          2HD       LYS  20   0.307   7.001  10.007
  132   1HE   LYS  20          1HE       LYS  20   0.313   9.621  10.223
  133   2HE   LYS  20          2HE       LYS  20  -0.551   9.358  11.725
  134   1HZ   LYS  20          1HZ       LYS  20   1.557   7.601  11.725
  135   2HZ   LYS  20          2HZ       LYS  20   2.175   9.021  11.204
  136   3HZ   LYS  20          3HZ       LYS  20   1.393   8.946  12.637
  137    HA   PRO  21           HA       PRO  21  -7.025   5.831   9.956
  138   1HB   PRO  21          1HB       PRO  21  -8.048   8.232   9.149
  139   2HB   PRO  21          2HB       PRO  21  -7.761   7.830  10.830
  140   1HG   PRO  21          1HG       PRO  21  -6.203   9.612   9.060
  141   2HG   PRO  21          2HG       PRO  21  -6.196   9.524  10.810
  142   1HD   PRO  21          1HD       PRO  21  -4.204   8.476   9.032
  143   2HD   PRO  21          2HD       PRO  21  -4.258   8.288  10.775
  144    H    THR  22           H        THR  22  -8.432   4.975   8.470
  145    HA   THR  22           HA       THR  22  -7.425   5.273   5.727
  146    HB   THR  22           HB       THR  22  -9.296   3.154   6.899
  147    HG1  THR  22           HG1      THR  22  -6.410   3.118   6.400
  148   1HG2  THR  22          1HG2      THR  22  -7.431   3.245   4.470
  149   2HG2  THR  22          2HG2      THR  22  -8.270   1.784   5.041
  150   3HG2  THR  22          3HG2      THR  22  -9.208   3.165   4.423
  151    H    PHE  23           H        PHE  23  -9.464   6.930   7.587
  152    HA   PHE  23           HA       PHE  23 -11.964   6.872   6.708
  153   1HB   PHE  23          1HB       PHE  23 -10.174   9.374   6.716
  154   2HB   PHE  23          2HB       PHE  23 -11.898   9.352   7.029
  155    HD1  PHE  23           HD1      PHE  23 -11.773   6.797   8.799
  156    HD2  PHE  23           HD2      PHE  23  -9.584  10.432   8.782
  157    HE1  PHE  23           HE1      PHE  23 -11.326   6.538  11.255
  158    HE2  PHE  23           HE2      PHE  23  -9.135  10.173  11.238
  159    HZ   PHE  23           HZ       PHE  23 -10.011   8.229  12.446
  Start of MODEL   30
    1    H    GLU   1           H        GLU   1  -3.826 -15.585  11.189
    2    HA   GLU   1           HA       GLU   1  -5.554 -14.479  12.412
    3   1HB   GLU   1          1HB       GLU   1  -2.944 -12.986  12.001
    4   2HB   GLU   1          2HB       GLU   1  -4.131 -12.417  13.158
    5   1HG   GLU   1          1HG       GLU   1  -3.605 -14.050  14.657
    6   2HG   GLU   1          2HG       GLU   1  -3.690 -15.307  13.438
    7    H    ASN   2           H        ASN   2  -6.430 -12.119  12.872
    8    HA   ASN   2           HA       ASN   2  -7.269 -11.115  10.280
    9   1HB   ASN   2          1HB       ASN   2  -8.622 -11.615  12.808
   10   2HB   ASN   2          2HB       ASN   2  -8.761  -9.909  12.432
   11   1HD2  ASN   2          2HD2      ASN   2  -9.469 -13.167  11.425
   12   2HD2  ASN   2          1HD2      ASN   2 -10.654 -12.806  10.214
   13    H    PHE   3           H        PHE   3  -4.747 -10.560  12.124
   14    HA   PHE   3           HA       PHE   3  -5.140  -7.774  12.775
   15   1HB   PHE   3          1HB       PHE   3  -3.252 -10.031  13.283
   16   2HB   PHE   3          2HB       PHE   3  -2.418  -8.510  13.038
   17    HD1  PHE   3           HD1      PHE   3  -5.249  -9.946  14.997
   18    HD2  PHE   3           HD2      PHE   3  -2.102  -7.103  14.849
   19    HE1  PHE   3           HE1      PHE   3  -5.714  -9.306  17.379
   20    HE2  PHE   3           HE2      PHE   3  -2.567  -6.464  17.230
   21    HZ   PHE   3           HZ       PHE   3  -4.367  -7.573  18.468
   22    H    ASN   4           H        ASN   4  -4.540  -6.062  11.514
   23    HA   ASN   4           HA       ASN   4  -3.318  -6.730   8.993
   24   1HB   ASN   4          1HB       ASN   4  -5.320  -5.245   9.017
   25   2HB   ASN   4          2HB       ASN   4  -4.497  -4.115  10.074
   26   1HD2  ASN   4          2HD2      ASN   4  -3.831  -2.388   9.080
   27   2HD2  ASN   4          1HD2      ASN   4  -3.189  -2.271   7.474
   28    H    GLY   5           H        GLY   5  -1.534  -7.050  11.156
   29   1HA   GLY   5          1HA       GLY   5   0.756  -6.432  11.130
   30   2HA   GLY   5          2HA       GLY   5   0.304  -4.782  10.751
   31    H    GLY   6           H        GLY   6  -1.908  -4.542  12.660
   32   1HA   GLY   6          1HA       GLY   6  -1.864  -5.134  15.161
   33   2HA   GLY   6          2HA       GLY   6  -0.305  -4.335  15.123
   34    H    CYS   7           H        CYS   7  -3.590  -3.688  13.681
   35    HA   CYS   7           HA       CYS   7  -3.283  -0.942  14.649
   36   1HB   CYS   7          1HB       CYS   7  -4.728  -2.079  12.263
   37   2HB   CYS   7          2HB       CYS   7  -5.111  -0.492  12.899
   38    H    LEU   8           H        LEU   8  -5.799  -0.004  14.793
   39    HA   LEU   8           HA       LEU   8  -6.945  -1.600  16.894
   40   1HB   LEU   8          1HB       LEU   8  -6.746   0.740  17.260
   41   2HB   LEU   8          2HB       LEU   8  -7.547   1.120  15.748
   42    HG   LEU   8           HG       LEU   8  -9.657   0.156  16.646
   43   1HD1  LEU   8          1HD1      LEU   8  -8.264  -1.264  18.368
   44   2HD1  LEU   8          2HD1      LEU   8  -8.499   0.163  19.407
   45   3HD1  LEU   8          3HD1      LEU   8  -9.910  -0.707  18.756
   46   1HD2  LEU   8          1HD2      LEU   8  -8.281   2.514  17.852
   47   2HD2  LEU   8          2HD2      LEU   8  -9.735   2.427  16.829
   48   3HD2  LEU   8          3HD2      LEU   8  -9.832   1.993  18.553
   49    H    ALA   9           H        ALA   9  -8.087  -0.213  13.734
   50    HA   ALA   9           HA       ALA   9  -9.172  -2.380  12.633
   51   1HB   ALA   9          1HB       ALA   9 -10.724  -1.610  15.025
   52   2HB   ALA   9          2HB       ALA   9 -11.705  -1.782  13.550
   53   3HB   ALA   9          3HB       ALA   9 -10.706  -3.141  14.117
   54    H    GLY  10           H        GLY  10  -8.719  -1.172  10.781
   55   1HA   GLY  10          1HA       GLY  10 -10.138  -0.013   9.135
   56   2HA   GLY  10          2HA       GLY  10 -10.453   1.192  10.369
   57    H    TYR  11           H        TYR  11  -7.696   1.153  11.497
   58    HA   TYR  11           HA       TYR  11  -6.573   3.128   9.850
   59   1HB   TYR  11          1HB       TYR  11  -5.504   1.283  12.076
   60   2HB   TYR  11          2HB       TYR  11  -4.621   2.682  11.498
   61    HD1  TYR  11           HD1      TYR  11  -5.809   4.991  11.690
   62    HD2  TYR  11           HD2      TYR  11  -7.047   1.501  13.832
   63    HE1  TYR  11           HE1      TYR  11  -7.033   6.450  13.374
   64    HE2  TYR  11           HE2      TYR  11  -8.267   2.972  15.509
   65    HH   TYR  11           HH       TYR  11  -9.231   5.832  15.027
   66    H    MET  12           H        MET  12  -4.487   3.106   8.735
   67    HA   MET  12           HA       MET  12  -3.916   0.440   7.688
   68   1HB   MET  12          1HB       MET  12  -3.012   1.875   5.677
   69   2HB   MET  12          2HB       MET  12  -4.749   1.735   5.856
   70   1HG   MET  12          1HG       MET  12  -4.854   3.926   6.999
   71   2HG   MET  12          2HG       MET  12  -3.106   4.055   6.982
   72   1HE   MET  12          1HE       MET  12  -3.822   6.276   6.238
   73   2HE   MET  12          2HE       MET  12  -2.508   6.202   5.041
   74   3HE   MET  12          3HE       MET  12  -4.128   6.751   4.551
   75    H    ARG  13           H        ARG  13  -1.590   0.167   6.882
   76    HA   ARG  13           HA       ARG  13   0.122   1.418   8.851
   77   1HB   ARG  13          1HB       ARG  13   0.434  -1.072   7.110
   78   2HB   ARG  13          2HB       ARG  13   1.752  -0.438   8.075
   79   1HG   ARG  13          1HG       ARG  13  -0.770  -0.703   9.605
   80   2HG   ARG  13          2HG       ARG  13  -0.201  -2.230   8.961
   81   1HD   ARG  13          1HD       ARG  13   1.955  -0.572  10.162
   82   2HD   ARG  13          2HD       ARG  13   0.714  -1.045  11.306
   83    HE   ARG  13           HE       ARG  13   1.630  -3.254   9.607
   84   1HH1  ARG  13          1HH1      ARG  13   2.208  -1.467  12.583
   85   2HH1  ARG  13          2HH1      ARG  13   3.064  -2.765  13.347
   86   1HH2  ARG  13          1HH2      ARG  13   2.759  -4.967  10.614
   87   2HH2  ARG  13          2HH2      ARG  13   3.379  -4.769  12.219
   88    H    THR  14           H        THR  14   0.985   3.328   8.046
   89    HA   THR  14           HA       THR  14   1.332   3.875   5.327
   90    HB   THR  14           HB       THR  14   2.442   5.877   6.177
   91    HG1  THR  14           HG1      THR  14   2.665   4.156   8.545
   92   1HG2  THR  14          1HG2      THR  14   0.015   4.900   7.416
   93   2HG2  THR  14          2HG2      THR  14   1.000   5.695   8.669
   94   3HG2  THR  14          3HG2      THR  14   0.532   6.591   7.204
   95    H    ALA  15           H        ALA  15   4.079   4.952   5.426
   96    HA   ALA  15           HA       ALA  15   5.406   2.423   4.798
   97   1HB   ALA  15          1HB       ALA  15   5.107   4.691   3.320
   98   2HB   ALA  15          2HB       ALA  15   6.662   5.032   4.115
   99   3HB   ALA  15          3HB       ALA  15   6.469   3.561   3.131
  100    H    ASP  16           H        ASP  16   4.938   4.080   7.512
  101    HA   ASP  16           HA       ASP  16   7.758   4.025   8.247
  102   1HB   ASP  16          1HB       ASP  16   6.208   6.177   8.462
  103   2HB   ASP  16          2HB       ASP  16   5.595   5.369   9.891
  104    H    GLY  17           H        GLY  17   4.599   2.617   8.598
  105   1HA   GLY  17          1HA       GLY  17   4.260   0.557   9.649
  106   2HA   GLY  17          2HA       GLY  17   5.571   0.891  10.762
  107    H    ARG  18           H        ARG  18   3.799   3.759  10.403
  108    HA   ARG  18           HA       ARG  18   2.615   3.321  12.971
  109   1HB   ARG  18          1HB       ARG  18   2.324   5.704  13.050
  110   2HB   ARG  18          2HB       ARG  18   3.857   5.461  12.238
  111   1HG   ARG  18          1HG       ARG  18   2.519   5.552  10.014
  112   2HG   ARG  18          2HG       ARG  18   1.173   6.143  10.968
  113   1HD   ARG  18          1HD       ARG  18   3.934   7.452  10.978
  114   2HD   ARG  18          2HD       ARG  18   2.631   7.962   9.922
  115    HE   ARG  18           HE       ARG  18   1.530   7.930  12.513
  116   1HH1  ARG  18          1HH1      ARG  18   4.148   9.603  10.860
  117   2HH1  ARG  18          2HH1      ARG  18   4.042  11.018  11.853
  118   1HH2  ARG  18          1HH2      ARG  18   1.389   9.797  13.823
  119   2HH2  ARG  18          2HH2      ARG  18   2.462  11.129  13.549
  120    H    CYS  19           H        CYS  19   0.503   2.664  13.229
  121    HA   CYS  19           HA       CYS  19  -1.152   2.233  11.027
  122   1HB   CYS  19          1HB       CYS  19  -1.692   2.282  13.996
  123   2HB   CYS  19          2HB       CYS  19  -2.931   1.900  12.817
  124    H    LYS  20           H        LYS  20  -1.883   3.941   9.782
  125    HA   LYS  20           HA       LYS  20  -2.748   6.348  11.210
  126   1HB   LYS  20          1HB       LYS  20  -1.245   5.885   8.787
  127   2HB   LYS  20          2HB       LYS  20  -2.689   6.805   8.420
  128   1HG   LYS  20          1HG       LYS  20  -2.103   8.352  10.368
  129   2HG   LYS  20          2HG       LYS  20  -0.584   7.493  10.521
  130   1HD   LYS  20          1HD       LYS  20   0.295   8.839   8.925
  131   2HD   LYS  20          2HD       LYS  20  -0.798   8.120   7.759
  132   1HE   LYS  20          1HE       LYS  20  -1.440  10.351   7.568
  133   2HE   LYS  20          2HE       LYS  20  -2.561   9.831   8.811
  134   1HZ   LYS  20          1HZ       LYS  20  -0.311  10.525  10.159
  135   2HZ   LYS  20          2HZ       LYS  20  -0.435  11.673   9.003
  136   3HZ   LYS  20          3HZ       LYS  20  -1.674  11.416  10.036
  137    HA   PRO  21           HA       PRO  21  -6.847   5.762   9.965
  138   1HB   PRO  21          1HB       PRO  21  -7.713   8.179   9.030
  139   2HB   PRO  21          2HB       PRO  21  -7.543   7.817  10.735
  140   1HG   PRO  21          1HG       PRO  21  -5.806   9.475   9.011
  141   2HG   PRO  21          2HG       PRO  21  -5.906   9.442  10.761
  142   1HD   PRO  21          1HD       PRO  21  -3.861   8.256   9.135
  143   2HD   PRO  21          2HD       PRO  21  -4.025   8.125  10.874
  144    H    THR  22           H        THR  22  -8.248   4.983   8.413
  145    HA   THR  22           HA       THR  22  -7.096   5.212   5.712
  146    HB   THR  22           HB       THR  22  -8.937   3.036   6.815
  147    HG1  THR  22           HG1      THR  22  -6.728   3.492   7.897
  148   1HG2  THR  22          1HG2      THR  22  -8.511   3.270   4.268
  149   2HG2  THR  22          2HG2      THR  22  -6.806   2.912   4.629
  150   3HG2  THR  22          3HG2      THR  22  -8.065   1.707   4.991
  151    H    PHE  23           H        PHE  23  -9.248   6.809   7.493
  152    HA   PHE  23           HA       PHE  23 -11.716   6.659   6.550
  153   1HB   PHE  23          1HB       PHE  23 -10.024   9.226   6.540
  154   2HB   PHE  23          2HB       PHE  23 -11.749   9.136   6.842
  155    HD1  PHE  23           HD1      PHE  23 -11.669   6.703   8.689
  156    HD2  PHE  23           HD2      PHE  23  -9.357  10.259   8.561
  157    HE1  PHE  23           HE1      PHE  23 -11.230   6.506  11.152
  158    HE2  PHE  23           HE2      PHE  23  -8.917  10.062  11.024
  159    HZ   PHE  23           HZ       PHE  23  -9.859   8.188  12.290