*HEADER    CELL ADHESION                           01-DEC-03   1RO3              
*TITLE     NEW STRUCTURAL INSIGHTS ON SHORT DISINTEGRIN ECHISTATIN BY NMR        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DISINTEGRIN ECHISTATIN;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PLATELET AGGREGATION ACTIVATION INHIBITOR, CARINATIN        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS;                                
*SOURCE   3 ORGANISM_COMMON: SAW-SCALED VIPER;                                   
*SOURCE   4 ORGANISM_TAXID: 40353                                                
*KEYWDS    NO REGULAR SECONDARY STRUCTURE, CELL ADHESION                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.MONLEON, V.ESTEVE, J.J.CALVETE, C.MARCINKIEWICZ, B.CELDA            
*REVDAT   1   29-MAR-17 1RO3    0                                                

  1 GLU  HA      2 CYSS HA      5.00  1.00E+01                 
  1 GLU  HA      3 GLU  HN      5.00  1.00E+01                 
  1 GLU  HA      4 SER  HN      5.00  1.00E+01                 
  1 GLU  HA     36 THR  HA      5.00  1.00E+01                 
  1 GLU  HA     37 CYSS HN      5.00  1.00E+01                 
  1 GLU  HA     37 CYSS HA      5.00  1.00E+01                 
  2 CYSS HN      4 SER  HN      5.00  1.00E+01                 
  2 CYSS HA     11 CYSS HB2     5.00  1.00E+01                 
  2 CYSS HA     11 CYSS HB3     5.00  1.00E+01                 
  2 CYSS CB     11 CYSS SG      3.10  5.00E+02                 
  2 CYSS QB     37 CYSS QB      6.75  1.00E+01                 
  2 CYSS SG     11 CYSS CB      3.10  5.00E+02                 
  2 CYSS SG     11 CYSS SG      2.10  5.00E+02                 
  3 GLU  HN      4 SER  QB      5.88  1.00E+01                 
  3 GLU  HN      5 GLY  HN      5.00  1.00E+01                 
  3 GLU  HN     11 CYSS QB      5.88  1.00E+01                 
  3 GLU  HA      4 SER  HA      5.00  1.00E+01                 
  3 GLU  HA      4 SER  HB2     5.00  1.00E+01                 
  3 GLU  HA      4 SER  HB3     5.00  1.00E+01                 
  3 GLU  HA      5 GLY  HN      5.00  1.00E+01                 
  3 GLU  HB2     4 SER  HB2     6.75  1.00E+01                 
  3 GLU  HB2     4 SER  HB3     6.75  1.00E+01                 
  3 GLU  HB3     4 SER  HB2     6.75  1.00E+01                 
  3 GLU  HB3     4 SER  HB3     6.75  1.00E+01                 
  3 GLU  QB      4 SER  QB      5.81  1.00E+01                 
  4 SER  HN     36 THR  HA      5.00  1.00E+01                 
  4 SER  HN     37 CYSS QB      5.88  1.00E+01                 
  4 SER  HA      5 GLY  QA      5.88  1.00E+01                 
  4 SER  HB2     5 GLY  HA1     6.75  1.00E+01                 
  4 SER  HB2     5 GLY  HA2     6.75  1.00E+01                 
  4 SER  HB3     5 GLY  HA1     6.75  1.00E+01                 
  4 SER  HB3     5 GLY  HA2     6.75  1.00E+01                 
  4 SER  QB      5 GLY  QA      5.81  1.00E+01                 
  5 GLY  HN      6 PRO  QD      5.88  1.00E+01                 
  5 GLY  HN     36 THR  HA      5.00  1.00E+01                 
  6 PRO  HA      7 CYSS HA      5.00  1.00E+01                 
  6 PRO  HA     32 CYSS HN      5.00  1.00E+01                 
  6 PRO  HA     32 CYSS QB      5.88  1.00E+01                 
  6 PRO  HB2    32 CYSS HB2     6.75  1.00E+01                 
  6 PRO  HB2    32 CYSS HB3     6.75  1.00E+01                 
  6 PRO  HB2    35 LYS  HN      5.00  1.00E+01                 
  6 PRO  HB3    32 CYSS HB2     6.75  1.00E+01                 
  6 PRO  HB3    32 CYSS HB3     6.75  1.00E+01                 
  6 PRO  HB3    35 LYS  HN      5.00  1.00E+01                 
  6 PRO  QB     32 CYSS QB      5.35  1.00E+01                 
  6 PRO  QB     33 ASN  QB      6.75  1.00E+01                 
  6 PRO  QB     34 GLY  HN      5.88  1.00E+01                 
  6 PRO  QB     34 GLY  QA      6.75  1.00E+01                 
  6 PRO  QB     36 THR  HN      5.88  1.00E+01                 
  6 PRO  QB     37 CYSS QB      6.75  1.00E+01                 
  6 PRO  QB     38 ASP  HN      5.88  1.00E+01                 
  6 PRO  QB     40 PRO  HA      5.88  1.00E+01                 
  6 PRO  QB     40 PRO  QD      6.75  1.00E+01                 
  6 PRO  QD      7 CYSS HN      5.35  1.00E+01                 
  6 PRO  QD     32 CYSS HA      5.88  1.00E+01                 
  6 PRO  QD     34 GLY  HN      5.88  1.00E+01                 
  6 PRO  QD     35 LYS  HN      5.88  1.00E+01                 
  6 PRO  QD     36 THR  HA      5.88  1.00E+01                 
  6 PRO  QD     37 CYSS HN      5.88  1.00E+01                 
  6 PRO  QD     37 CYSS HA      5.88  1.00E+01                 
  7 CYSS HN     33 ASN  HN      5.00  1.00E+01                 
  7 CYSS HN     34 GLY  QA      5.88  1.00E+01                 
  7 CYSS HA     13 PHE  HA      5.00  1.00E+01                 
  7 CYSS HA     16 GLU  HA      5.00  1.00E+01                 
  7 CYSS HA     16 GLU  HG2     5.00  1.00E+01                 
  7 CYSS HA     16 GLU  HG3     5.00  1.00E+01                 
  7 CYSS HA     31 TYR  HD1     5.00  1.00E+01                 
  7 CYSS HA     32 CYSS HA      5.00  1.00E+01                 
  7 CYSS HA     32 CYSS HB2     5.00  1.00E+01                 
  7 CYSS HA     32 CYSS HB3     5.00  1.00E+01                 
  7 CYSS HA     37 CYSS HA      5.00  1.00E+01                 
  7 CYSS CB     32 CYSS SG      3.10  5.00E+02                 
  7 CYSS QB      8 CYSS HN      5.88  1.00E+01                 
  7 CYSS QB      8 CYSS HA      5.88  1.00E+01                 
  7 CYSS QB     16 GLU  QB      6.75  1.00E+01                 
  7 CYSS QB     16 GLU  QG      6.75  1.00E+01                 
  7 CYSS SG     32 CYSS CB      3.10  5.00E+02                 
  7 CYSS SG     32 CYSS SG      2.10  5.00E+02                 
  8 CYSS HN     13 PHE  HN      5.00  1.00E+01                 
  8 CYSS HN     13 PHE  QB      5.88  1.00E+01                 
  8 CYSS HN     13 PHE  HD1     5.00  1.00E+01                 
  8 CYSS HN     32 CYSS HB2     5.00  1.00E+01                 
  8 CYSS HN     32 CYSS HB3     5.00  1.00E+01                 
  8 CYSS HA      9 ARG  QD      5.88  1.00E+01                 
  8 CYSS HA     13 PHE  HA      5.00  1.00E+01                 
  8 CYSS HA     37 CYSS HB2     5.00  1.00E+01                 
  8 CYSS HA     37 CYSS HB3     5.00  1.00E+01                 
  8 CYSS CB     37 CYSS SG      3.10  5.00E+02                 
  8 CYSS QB     11 CYSS HN      5.88  1.00E+01                 
  8 CYSS QB     12 LYS  HA      5.88  1.00E+01                 
  8 CYSS QB     13 PHE  HA      5.88  1.00E+01                 
  8 CYSS SG     37 CYSS CB      3.10  5.00E+02                 
  8 CYSS SG     37 CYSS SG      2.10  5.00E+02                 
  9 ARG  HN     10 ASN  HN      5.00  1.00E+01                 
  9 ARG  HA      9 ARG  HD2     5.00  1.00E+01                 
  9 ARG  HA      9 ARG  HD3     5.00  1.00E+01                 
  9 ARG  HA     18 THR  HB      5.00  1.00E+01                 
  9 ARG  HA     30 ASP  HN      5.00  1.00E+01                 
  9 ARG  HA     37 CYSS QB      5.88  1.00E+01                 
  9 ARG  HA     40 PRO  HD2     5.00  1.00E+01                 
  9 ARG  HA     40 PRO  HD3     5.00  1.00E+01                 
  9 ARG  QB     18 THR  HB      5.88  1.00E+01                 
  9 ARG  QB     30 ASP  HN      5.88  1.00E+01                 
  9 ARG  QB     30 ASP  QB      6.75  1.00E+01                 
  9 ARG  HD2    10 ASN  HD21    6.73  1.00E+01                 
  9 ARG  HD2    10 ASN  HD22    6.73  1.00E+01                 
  9 ARG  HD3    10 ASN  HD21    6.73  1.00E+01                 
  9 ARG  HD3    10 ASN  HD22    6.73  1.00E+01                 
  9 ARG  QD     10 ASN  QB      6.75  1.00E+01                 
  9 ARG  QD     10 ASN  QD2     5.80  1.00E+01                 
  9 ARG  QD     11 CYSS HN      5.88  1.00E+01                 
  9 ARG  QD     12 LYS  QB      6.75  1.00E+01                 
  9 ARG  QD     12 LYS  QG      6.75  1.00E+01                 
  9 ARG  QD     13 PHE  HA      5.88  1.00E+01                 
  9 ARG  QD     14 LEU  HN      5.88  1.00E+01                 
  9 ARG  QD     37 CYSS QB      6.75  1.00E+01                 
  9 ARG  HE     10 ASN  HD21    5.00  1.00E+01                 
  9 ARG  HE     10 ASN  HD22    5.00  1.00E+01                 
  9 ARG  HE     12 LYS  HN      5.00  1.00E+01                 
  9 ARG  HE     13 PHE  HN      5.00  1.00E+01                 
  9 ARG  HE     13 PHE  HD1     5.00  1.00E+01                 
  9 ARG  HE     15 LYS  HN      5.00  1.00E+01                 
 10 ASN  QB     11 CYSS QB      6.75  1.00E+01                 
 10 ASN  QB     38 ASP  HA      5.88  1.00E+01                 
 10 ASN  HD21   12 LYS  HN      5.00  1.00E+01                 
 10 ASN  HD22   12 LYS  HN      5.00  1.00E+01                 
 11 CYSS QB     12 LYS  HA      5.88  1.00E+01                 
 13 PHE  HD1    14 LEU  HA      5.00  1.00E+01                 
 13 PHE  HD1    14 LEU  QB      5.88  1.00E+01                 
 13 PHE  HD1    15 LYS  HN      5.00  1.00E+01                 
 13 PHE  HD1    15 LYS  HA      5.00  1.00E+01                 
 13 PHE  HD1    16 GLU  HA      5.00  1.00E+01                 
 13 PHE  HD1    16 GLU  QG      5.88  1.00E+01                 
 13 PHE  HE1    15 LYS  HN      5.00  1.00E+01                 
 13 PHE  HE1    31 TYR  HD1     5.00  1.00E+01                 
 14 LEU  HN     15 LYS  HN      5.00  1.00E+01                 
 14 LEU  HN     32 CYSS HN      5.00  1.00E+01                 
 14 LEU  HB2    18 THR  HB      5.00  1.00E+01                 
 14 LEU  HB2    30 ASP  HN      5.00  1.00E+01                 
 14 LEU  HB3    18 THR  HB      5.00  1.00E+01                 
 14 LEU  HB3    30 ASP  HN      5.00  1.00E+01                 
 14 LEU  QB     15 LYS  HN      5.88  1.00E+01                 
 14 LEU  QB     16 GLU  HA      5.88  1.00E+01                 
 14 LEU  QB     30 ASP  QB      6.75  1.00E+01                 
 14 LEU  QB     31 TYR  QB      6.75  1.00E+01                 
 14 LEU  HG     15 LYS  HN      5.00  1.00E+01                 
 14 LEU  HG     18 THR  HB      5.00  1.00E+01                 
 15 LYS  HN     16 GLU  HN      5.00  1.00E+01                 
 15 LYS  HN     16 GLU  HA      5.00  1.00E+01                 
 15 LYS  HN     18 THR  HB      5.00  1.00E+01                 
 15 LYS  HA     16 GLU  QB      5.88  1.00E+01                 
 15 LYS  QG     16 GLU  HN      5.88  1.00E+01                 
 15 LYS  QG     18 THR  HA      5.88  1.00E+01                 
 16 GLU  HN     17 GLY  HN      5.00  1.00E+01                 
 16 GLU  HA     31 TYR  HD1     5.00  1.00E+01                 
 16 GLU  QB     17 GLY  QA      6.75  1.00E+01                 
 16 GLU  QG     31 TYR  HD1     5.88  1.00E+01                 
 17 GLY  HN     18 THR  HA      5.00  1.00E+01                 
 17 GLY  HN     18 THR  HB      5.00  1.00E+01                 
 17 GLY  HN     31 TYR  HN      5.00  1.00E+01                 
 17 GLY  HN     31 TYR  HA      5.00  1.00E+01                 
 17 GLY  HN     31 TYR  HB2     5.00  1.00E+01                 
 17 GLY  HN     31 TYR  HB3     5.00  1.00E+01                 
 17 GLY  HN     31 TYR  HD1     5.00  1.00E+01                 
 17 GLY  HN     31 TYR  HE1     5.00  1.00E+01                 
 17 GLY  HN     32 CYSS HN      5.00  1.00E+01                 
 17 GLY  QA     18 THR  HA      5.88  1.00E+01                 
 17 GLY  QA     31 TYR  HD1     5.88  1.00E+01                 
 18 THR  HA     29 ASP  HA      5.00  1.00E+01                 
 18 THR  HA     29 ASP  HB2     5.00  1.00E+01                 
 18 THR  HA     29 ASP  HB3     5.00  1.00E+01                 
 18 THR  HA     30 ASP  HA      5.00  1.00E+01                 
 18 THR  HA     31 TYR  QB      5.88  1.00E+01                 
 18 THR  HA     41 ARG  QG      5.88  1.00E+01                 
 18 THR  HB     19 ILE  HN      5.00  1.00E+01                 
 18 THR  HB     20 CYSS HA      5.00  1.00E+01                 
 18 THR  HB     29 ASP  HA      5.00  1.00E+01                 
 18 THR  HB     29 ASP  HB2     5.00  1.00E+01                 
 18 THR  HB     29 ASP  HB3     5.00  1.00E+01                 
 18 THR  HB     30 ASP  HA      5.00  1.00E+01                 
 18 THR  HB     31 TYR  HN      5.00  1.00E+01                 
 18 THR  HB     31 TYR  QB      5.88  1.00E+01                 
 18 THR  HB     32 CYSS HN      5.00  1.00E+01                 
 19 ILE  HN     19 ILE  QG1     5.88  1.00E+01                 
 19 ILE  HN     29 ASP  HN      5.00  1.00E+01                 
 19 ILE  HN     29 ASP  QB      5.88  1.00E+01                 
 19 ILE  HN     30 ASP  HN      5.00  1.00E+01                 
 19 ILE  HN     31 TYR  HN      5.00  1.00E+01                 
 19 ILE  HA     20 CYSS HA      5.00  1.00E+01                 
 19 ILE  HA     30 ASP  HA      5.00  1.00E+01                 
 19 ILE  HA     31 TYR  HD2     5.00  1.00E+01                 
 19 ILE  HA     41 ARG  HN      5.00  1.00E+01                 
 19 ILE  HA     42 ASN  QD2     5.87  1.00E+01                 
 19 ILE  HA     44 HIS  HE1     5.00  1.00E+01                 
 19 ILE  HB     41 ARG  HN      5.00  1.00E+01                 
 19 ILE  HB     43 PRO  QD      5.88  1.00E+01                 
 19 ILE  HG12   21 LYS  HN      5.00  1.00E+01                 
 19 ILE  HG12   23 ALA  HN      5.00  1.00E+01                 
 19 ILE  HG12   27 ASP  HA      5.00  1.00E+01                 
 19 ILE  HG12   41 ARG  HN      5.00  1.00E+01                 
 19 ILE  HG12   41 ARG  HA      5.00  1.00E+01                 
 19 ILE  HG12   41 ARG  HG2     6.75  1.00E+01                 
 19 ILE  HG12   41 ARG  HG3     6.75  1.00E+01                 
 19 ILE  HG12   42 ASN  HA      5.00  1.00E+01                 
 19 ILE  HG12   42 ASN  HB2     6.75  1.00E+01                 
 19 ILE  HG12   42 ASN  HB3     6.75  1.00E+01                 
 19 ILE  HG12   42 ASN  HD21    6.73  1.00E+01                 
 19 ILE  HG12   42 ASN  HD22    6.73  1.00E+01                 
 19 ILE  HG12   43 PRO  HD2     6.75  1.00E+01                 
 19 ILE  HG12   43 PRO  HD3     6.75  1.00E+01                 
 19 ILE  HG12   44 HIS  HD2     5.00  1.00E+01                 
 19 ILE  HG12   44 HIS  HE1     5.00  1.00E+01                 
 19 ILE  HG13   21 LYS  HN      5.00  1.00E+01                 
 19 ILE  HG13   23 ALA  HN      5.00  1.00E+01                 
 19 ILE  HG13   27 ASP  HA      5.00  1.00E+01                 
 19 ILE  HG13   41 ARG  HN      5.00  1.00E+01                 
 19 ILE  HG13   41 ARG  HA      5.00  1.00E+01                 
 19 ILE  HG13   41 ARG  HG2     6.75  1.00E+01                 
 19 ILE  HG13   41 ARG  HG3     6.75  1.00E+01                 
 19 ILE  HG13   42 ASN  HA      5.00  1.00E+01                 
 19 ILE  HG13   42 ASN  HB2     6.75  1.00E+01                 
 19 ILE  HG13   42 ASN  HB3     6.75  1.00E+01                 
 19 ILE  HG13   42 ASN  HD21    6.73  1.00E+01                 
 19 ILE  HG13   42 ASN  HD22    6.73  1.00E+01                 
 19 ILE  HG13   43 PRO  HD2     6.75  1.00E+01                 
 19 ILE  HG13   43 PRO  HD3     6.75  1.00E+01                 
 19 ILE  HG13   44 HIS  HD2     5.00  1.00E+01                 
 19 ILE  HG13   44 HIS  HE1     5.00  1.00E+01                 
 19 ILE  QG1    20 CYSS HN      5.88  1.00E+01                 
 19 ILE  QG1    21 LYS  HA      5.88  1.00E+01                 
 19 ILE  QG1    21 LYS  QB      6.75  1.00E+01                 
 19 ILE  QG1    22 ARG  HA      5.88  1.00E+01                 
 19 ILE  QG1    28 MET  HN      5.88  1.00E+01                 
 19 ILE  QG1    28 MET  QG      6.75  1.00E+01                 
 19 ILE  QG1    39 CYSS QB      6.75  1.00E+01                 
 19 ILE  QG1    41 ARG  QG      5.81  1.00E+01                 
 19 ILE  QG1    42 ASN  QB      5.81  1.00E+01                 
 19 ILE  QG1    42 ASN  QD2     5.34  1.00E+01                 
 19 ILE  QG1    43 PRO  QD      5.81  1.00E+01                 
 19 ILE  QG1    44 HIS  HN      5.88  1.00E+01                 
 20 CYSS HN     31 TYR  HD2     5.00  1.00E+01                 
 20 CYSS HN     41 ARG  HN      5.00  1.00E+01                 
 20 CYSS HN     41 ARG  QG      5.88  1.00E+01                 
 20 CYSS HN     43 PRO  QD      5.88  1.00E+01                 
 20 CYSS HN     48 ALA  HN      5.00  1.00E+01                 
 20 CYSS HA     21 LYS  HA      5.00  1.00E+01                 
 20 CYSS HA     40 PRO  HA      5.00  1.00E+01                 
 20 CYSS HA     40 PRO  QD      5.88  1.00E+01                 
 20 CYSS HA     49 THR  HB      4.50  5.00E+02                 
 20 CYSS CB     39 CYSS SG      3.10  5.00E+02                 
 20 CYSS QB     31 TYR  HD2     5.88  1.00E+01                 
 20 CYSS QB     33 ASN  QD2     6.74  1.00E+01                 
 20 CYSS QB     38 ASP  HA      5.88  1.00E+01                 
 20 CYSS QB     40 PRO  HA      5.88  1.00E+01                 
 20 CYSS QB     40 PRO  QB      6.75  1.00E+01                 
 20 CYSS QB     40 PRO  QD      6.75  1.00E+01                 
 20 CYSS QB     41 ARG  HA      5.88  1.00E+01                 
 20 CYSS QB     42 ASN  QB      6.75  1.00E+01                 
 20 CYSS QB     48 ALA  HN      5.88  1.00E+01                 
 20 CYSS SG     39 CYSS CB      3.10  5.00E+02                 
 20 CYSS SG     39 CYSS SG      2.10  5.00E+02                 
 21 LYS  HN     44 HIS  HE1     5.00  1.00E+01                 
 21 LYS  HA     27 ASP  QB      5.88  1.00E+01                 
 21 LYS  HB2    23 ALA  HN      5.00  1.00E+01                 
 21 LYS  HB3    23 ALA  HN      5.00  1.00E+01                 
 21 LYS  QB     42 ASN  HA      5.88  1.00E+01                 
 21 LYS  QD     22 ARG  HN      5.88  1.00E+01                 
 22 ARG  HN     23 ALA  HN      5.00  1.00E+01                 
 22 ARG  HN     28 MET  HN      5.00  1.00E+01                 
 22 ARG  HN     42 ASN  QB      5.88  1.00E+01                 
 22 ARG  HN     47 PRO  QB      5.88  1.00E+01                 
 22 ARG  HA     27 ASP  QB      5.88  1.00E+01                 
 22 ARG  HA     44 HIS  QB      5.88  1.00E+01                 
 22 ARG  HA     44 HIS  HD2     5.00  1.00E+01                 
 22 ARG  QB     26 ASP  QB      6.75  1.00E+01                 
 22 ARG  QB     28 MET  QG      6.75  1.00E+01                 
 22 ARG  HD2    23 ALA  HN      5.00  1.00E+01                 
 22 ARG  HD3    23 ALA  HN      5.00  1.00E+01                 
 22 ARG  HE     23 ALA  HN      5.00  1.00E+01                 
 22 ARG  HE     24 ARG  HE      5.00  1.00E+01                 
 22 ARG  HE     26 ASP  HN      5.00  1.00E+01                 
 22 ARG  HE     28 MET  HN      5.00  1.00E+01                 
 22 ARG  HE     44 HIS  HE1     5.00  1.00E+01                 
 23 ALA  HN     24 ARG  HE      5.00  1.00E+01                 
 23 ALA  HN     25 GLY  HN      5.00  1.00E+01                 
 23 ALA  HN     27 ASP  HB2     5.00  1.00E+01                 
 23 ALA  HN     27 ASP  HB3     5.00  1.00E+01                 
 23 ALA  HN     42 ASN  HA      5.00  1.00E+01                 
 23 ALA  HN     42 ASN  HB2     5.00  1.00E+01                 
 23 ALA  HN     42 ASN  HB3     5.00  1.00E+01                 
 23 ALA  HN     44 HIS  HN      5.00  1.00E+01                 
 23 ALA  HN     44 HIS  HA      5.00  1.00E+01                 
 23 ALA  HN     44 HIS  HB2     5.00  1.00E+01                 
 23 ALA  HN     44 HIS  HB3     5.00  1.00E+01                 
 23 ALA  HN     44 HIS  HE1     5.00  1.00E+01                 
 23 ALA  HN     45 LYS  HN      5.00  1.00E+01                 
 23 ALA  HN     46 GLY  HN      5.00  1.00E+01                 
 23 ALA  HN     47 PRO  HB2     5.00  1.00E+01                 
 23 ALA  HN     47 PRO  HB3     5.00  1.00E+01                 
 23 ALA  HN     47 PRO  HG2     5.00  1.00E+01                 
 23 ALA  HN     47 PRO  HG3     5.00  1.00E+01                 
 23 ALA  HN     47 PRO  QD      5.88  1.00E+01                 
 23 ALA  HA     25 GLY  HN      5.00  1.00E+01                 
 23 ALA  QB     24 ARG  HA      6.03  1.00E+01                 
 23 ALA  QB     27 ASP  HA      6.03  1.00E+01                 
 23 ALA  QB     42 ASN  HA      6.03  1.00E+01                 
 23 ALA  QB     43 PRO  HA      6.03  1.00E+01                 
 23 ALA  QB     44 HIS  HA      6.03  1.00E+01                 
 23 ALA  QB     44 HIS  HE1     6.03  1.00E+01                 
 23 ALA  QB     46 GLY  QA      6.91  1.00E+01                 
 23 ALA  QB     47 PRO  QB      6.91  1.00E+01                 
 24 ARG  HN     24 ARG  QG      5.88  1.00E+01                 
 24 ARG  HN     44 HIS  QB      5.88  1.00E+01                 
 24 ARG  HA     25 GLY  QA      5.88  1.00E+01                 
 24 ARG  HA     44 HIS  QB      5.88  1.00E+01                 
 24 ARG  QB     44 HIS  QB      4.50  5.00E+02                 
 24 ARG  QG     44 HIS  HN      5.88  1.00E+01                 
 24 ARG  QG     44 HIS  HD2     5.88  1.00E+01                 
 24 ARG  QG     45 LYS  HN      5.88  1.00E+01                 
 24 ARG  HE     44 HIS  HA      5.00  1.00E+01                 
 24 ARG  HE     44 HIS  QB      5.88  1.00E+01                 
 24 ARG  HE     44 HIS  HE1     5.00  1.00E+01                 
 25 GLY  HN     26 ASP  HA      5.00  1.00E+01                 
 25 GLY  QA     26 ASP  QB      6.75  1.00E+01                 
 25 GLY  QA     45 LYS  QG      4.50  5.00E+02                 
 26 ASP  HN     44 HIS  HD2     5.00  1.00E+01                 
 26 ASP  HA     44 HIS  HD2     5.00  1.00E+01                 
 27 ASP  HN     28 MET  HN      5.00  1.00E+01                 
 27 ASP  HA     44 HIS  HD2     5.00  1.00E+01                 
 27 ASP  QB     44 HIS  HD2     5.88  1.00E+01                 
 28 MET  HN     28 MET  QG      5.88  1.00E+01                 
 28 MET  HN     29 ASP  HN      5.00  1.00E+01                 
 28 MET  HN     42 ASN  HA      5.00  1.00E+01                 
 28 MET  QB     29 ASP  QB      6.75  1.00E+01                 
 28 MET  HG2    44 HIS  HE1     5.00  1.00E+01                 
 28 MET  HG3    44 HIS  HE1     5.00  1.00E+01                 
 28 MET  QG     29 ASP  HN      5.88  1.00E+01                 
 29 ASP  HA     30 ASP  HA      5.00  1.00E+01                 
 29 ASP  QB     30 ASP  HA      5.88  1.00E+01                 
 29 ASP  QB     41 ARG  QG      6.75  1.00E+01                 
 30 ASP  HN     31 TYR  HN      5.00  1.00E+01                 
 30 ASP  HN     31 TYR  QB      5.88  1.00E+01                 
 30 ASP  HA     40 PRO  HA      5.00  1.00E+01                 
 30 ASP  HA     40 PRO  QD      5.88  1.00E+01                 
 30 ASP  QB     40 PRO  QD      6.75  1.00E+01                 
 31 TYR  HN     40 PRO  HA      5.00  1.00E+01                 
 31 TYR  HN     40 PRO  QD      5.88  1.00E+01                 
 31 TYR  HN     41 ARG  QG      5.88  1.00E+01                 
 31 TYR  HA     40 PRO  QD      5.88  1.00E+01                 
 31 TYR  QB     31 TYR  HE1     5.21  1.00E+01                 
 31 TYR  QB     31 TYR  HE2     5.21  1.00E+01                 
 31 TYR  QB     41 ARG  QG      6.75  1.00E+01                 
 31 TYR  HD1    32 CYSS HA      5.00  1.00E+01                 
 31 TYR  HD1    32 CYSS QB      5.88  1.00E+01                 
 31 TYR  HE1    33 ASN  QB      5.88  1.00E+01                 
 31 TYR  HE1    34 GLY  HN      5.00  1.00E+01                 
 31 TYR  HE2    33 ASN  QB      5.88  1.00E+01                 
 31 TYR  HE2    41 ARG  QD      5.88  1.00E+01                 
 31 TYR  HE2    42 ASN  HN      5.00  1.00E+01                 
 31 TYR  HE2    42 ASN  QD2     5.87  1.00E+01                 
 31 TYR  HE2    49 THR  HN      5.00  1.00E+01                 
 31 TYR  HD2    42 ASN  HN      5.00  1.00E+01                 
 31 TYR  HD2    42 ASN  QD2     5.87  1.00E+01                 
 31 TYR  HD2    43 PRO  QG      5.88  1.00E+01                 
 31 TYR  HD2    43 PRO  QD      5.88  1.00E+01                 
 32 CYSS HN     40 PRO  QD      5.88  1.00E+01                 
 32 CYSS HA     34 GLY  HN      5.00  1.00E+01                 
 32 CYSS HA     37 CYSS HN      5.00  1.00E+01                 
 32 CYSS HA     37 CYSS HB2     5.00  1.00E+01                 
 32 CYSS HA     37 CYSS HB3     5.00  1.00E+01                 
 32 CYSS HA     38 ASP  HN      5.00  1.00E+01                 
 32 CYSS HA     40 PRO  QB      5.88  1.00E+01                 
 32 CYSS HA     40 PRO  QD      5.88  1.00E+01                 
 32 CYSS HB2    37 CYSS HA      5.00  1.00E+01                 
 32 CYSS HB3    37 CYSS HA      5.00  1.00E+01                 
 32 CYSS QB     34 GLY  HN      5.88  1.00E+01                 
 32 CYSS QB     34 GLY  QA      6.75  1.00E+01                 
 32 CYSS QB     36 THR  HN      5.88  1.00E+01                 
 32 CYSS QB     37 CYSS QB      6.75  1.00E+01                 
 32 CYSS QB     40 PRO  QD      6.75  1.00E+01                 
 33 ASN  HN     35 LYS  HN      5.00  1.00E+01                 
 33 ASN  HN     37 CYSS HA      5.00  1.00E+01                 
 33 ASN  HA     40 PRO  QB      5.88  1.00E+01                 
 33 ASN  HB2    40 PRO  HA      5.00  1.00E+01                 
 33 ASN  HB3    40 PRO  HA      5.00  1.00E+01                 
 33 ASN  QB     34 GLY  QA      6.75  1.00E+01                 
 33 ASN  QB     35 LYS  HN      5.88  1.00E+01                 
 33 ASN  QB     36 THR  HN      5.88  1.00E+01                 
 33 ASN  QB     40 PRO  QB      6.75  1.00E+01                 
 33 ASN  HD21   36 THR  HN      5.00  1.00E+01                 
 33 ASN  HD21   40 PRO  HD2     6.73  1.00E+01                 
 33 ASN  HD21   40 PRO  HD3     6.73  1.00E+01                 
 33 ASN  HD22   36 THR  HN      5.00  1.00E+01                 
 33 ASN  HD22   40 PRO  HD2     6.73  1.00E+01                 
 33 ASN  HD22   40 PRO  HD3     6.73  1.00E+01                 
 33 ASN  QD2    35 LYS  HN      5.87  1.00E+01                 
 33 ASN  QD2    40 PRO  HA      5.87  1.00E+01                 
 33 ASN  QD2    40 PRO  QD      5.80  1.00E+01                 
 33 ASN  QD2    42 ASN  HN      5.87  1.00E+01                 
 33 ASN  QD2    42 ASN  QD2     6.73  1.00E+01                 
 33 ASN  QD2    49 THR  HN      5.87  1.00E+01                 
 34 GLY  HN     35 LYS  HN      5.00  1.00E+01                 
 35 LYS  HN     36 THR  HA      5.00  1.00E+01                 
 36 THR  HA     38 ASP  QB      5.88  1.00E+01                 
 36 THR  HB     37 CYSS HN      5.00  1.00E+01                 
 37 CYSS HN     38 ASP  HA      5.00  1.00E+01                 
 37 CYSS HN     40 PRO  QD      5.88  1.00E+01                 
 37 CYSS HA     40 PRO  QB      5.88  1.00E+01                 
 37 CYSS HA     40 PRO  QD      5.88  1.00E+01                 
 37 CYSS QB     38 ASP  HA      5.88  1.00E+01                 
 38 ASP  HN     40 PRO  QB      5.88  1.00E+01                 
 38 ASP  HA     40 PRO  HD2     5.00  1.00E+01                 
 38 ASP  HA     40 PRO  HD3     5.00  1.00E+01                 
 38 ASP  QB     40 PRO  QD      6.75  1.00E+01                 
 39 CYSS HN     41 ARG  HN      5.00  1.00E+01                 
 39 CYSS HB2    42 ASN  HD21    6.75  1.00E+01                 
 39 CYSS HB2    42 ASN  HD22    6.75  1.00E+01                 
 39 CYSS HB3    42 ASN  HD21    6.75  1.00E+01                 
 39 CYSS HB3    42 ASN  HD22    6.75  1.00E+01                 
 39 CYSS QB     42 ASN  QD2     5.81  1.00E+01                 
 40 PRO  HA     42 ASN  QD2     5.87  1.00E+01                 
 40 PRO  HA     48 ALA  HN      5.00  1.00E+01                 
 40 PRO  QB     41 ARG  HA      5.88  1.00E+01                 
 40 PRO  QB     42 ASN  QD2     6.74  1.00E+01                 
 40 PRO  QB     49 THR  HN      5.88  1.00E+01                 
 41 ARG  HN     41 ARG  HG2     5.00  1.00E+01                 
 41 ARG  HN     41 ARG  HG3     5.00  1.00E+01                 
 41 ARG  HN     42 ASN  HN      5.00  1.00E+01                 
 41 ARG  HN     42 ASN  QD2     5.87  1.00E+01                 
 41 ARG  HN     43 PRO  QD      5.88  1.00E+01                 
 41 ARG  HN     48 ALA  HN      5.00  1.00E+01                 
 41 ARG  HA     42 ASN  HA      5.00  1.00E+01                 
 41 ARG  HA     43 PRO  QB      5.88  1.00E+01                 
 41 ARG  HA     43 PRO  QD      5.88  1.00E+01                 
 41 ARG  HA     44 HIS  HE1     5.00  1.00E+01                 
 41 ARG  HA     48 ALA  HA      5.00  1.00E+01                 
 41 ARG  HA     48 ALA  QB      6.03  1.00E+01                 
 41 ARG  HA     49 THR  HN      5.00  1.00E+01                 
 41 ARG  HG2    42 ASN  HN      5.00  1.00E+01                 
 41 ARG  HG2    42 ASN  HA      5.00  1.00E+01                 
 41 ARG  HG2    43 PRO  HD2     5.00  1.00E+01                 
 41 ARG  HG2    43 PRO  HD3     5.00  1.00E+01                 
 41 ARG  HG3    42 ASN  HN      5.00  1.00E+01                 
 41 ARG  HG3    42 ASN  HA      5.00  1.00E+01                 
 41 ARG  HG3    43 PRO  HD2     5.00  1.00E+01                 
 41 ARG  HG3    43 PRO  HD3     5.00  1.00E+01                 
 41 ARG  QG     44 HIS  HE1     5.88  1.00E+01                 
 42 ASN  HN     42 ASN  QD2     5.87  1.00E+01                 
 42 ASN  HN     43 PRO  HA      5.00  1.00E+01                 
 42 ASN  HN     43 PRO  QB      5.88  1.00E+01                 
 42 ASN  HN     43 PRO  HD2     5.00  1.00E+01                 
 42 ASN  HN     43 PRO  HD3     5.00  1.00E+01                 
 42 ASN  HN     44 HIS  HN      5.00  1.00E+01                 
 42 ASN  HA     44 HIS  HN      5.00  1.00E+01                 
 42 ASN  HA     48 ALA  HN      5.00  1.00E+01                 
 42 ASN  HA     48 ALA  QB      6.03  1.00E+01                 
 42 ASN  HB2    43 PRO  HD2     6.75  1.00E+01                 
 42 ASN  HB2    43 PRO  HD3     6.75  1.00E+01                 
 42 ASN  HB2    47 PRO  HB2     6.75  1.00E+01                 
 42 ASN  HB2    47 PRO  HB3     6.75  1.00E+01                 
 42 ASN  HB3    43 PRO  HD2     6.75  1.00E+01                 
 42 ASN  HB3    43 PRO  HD3     6.75  1.00E+01                 
 42 ASN  HB3    47 PRO  HB2     6.75  1.00E+01                 
 42 ASN  HB3    47 PRO  HB3     6.75  1.00E+01                 
 42 ASN  QB     43 PRO  HA      5.48  1.00E+01                 
 42 ASN  QB     43 PRO  QD      5.35  1.00E+01                 
 42 ASN  QB     44 HIS  HN      5.88  1.00E+01                 
 42 ASN  QB     44 HIS  HD2     5.88  1.00E+01                 
 42 ASN  QB     44 HIS  HE1     5.88  1.00E+01                 
 42 ASN  QB     47 PRO  QB      5.81  1.00E+01                 
 42 ASN  QB     48 ALA  QB      6.91  1.00E+01                 
 42 ASN  HD21   48 ALA  QB      6.03  1.00E+01                 
 42 ASN  HD22   48 ALA  QB      6.03  1.00E+01                 
 42 ASN  QD2    48 ALA  HN      5.87  1.00E+01                 
 42 ASN  QD2    49 THR  HN      5.87  1.00E+01                 
 42 ASN  QD2    49 THR  HB      5.87  1.00E+01                 
 43 PRO  HA     47 PRO  QD      5.88  1.00E+01                 
 43 PRO  HA     48 ALA  QB      6.03  1.00E+01                 
 43 PRO  HD2    44 HIS  HE1     5.00  1.00E+01                 
 43 PRO  HD3    44 HIS  HE1     5.00  1.00E+01                 
 43 PRO  QD     48 ALA  HN      5.88  1.00E+01                 
 44 HIS  HN     46 GLY  HN      5.00  1.00E+01                 
 44 HIS  HN     46 GLY  QA      5.88  1.00E+01                 
 44 HIS  HN     48 ALA  QB      6.03  1.00E+01                 
 44 HIS  HA     47 PRO  HD2     5.00  1.00E+01                 
 44 HIS  HA     47 PRO  HD3     5.00  1.00E+01                 
 44 HIS  QB     44 HIS  HE1     5.12  1.00E+01                 
 44 HIS  HD2    45 LYS  HN      5.00  1.00E+01                 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   GLU   1           1H       GLU   1   6.448  -3.585  -4.539
    2    HA   GLU   1           HA       GLU   1   7.926  -4.312  -2.425
    3    HB3  GLU   1           2HB      GLU   1   6.188  -5.708  -3.547
    4    HG3  GLU   1           2HG      GLU   1   7.914  -5.420  -5.804
    5    HE2  GLU   1           HE       GLU   1   7.698  -8.785  -4.087
    6    H    CYS   2           H        CYS   2   9.895  -2.850  -2.959
    7    HA   CYS   2           HA       CYS   2  11.713  -3.161  -4.841
    8    HB3  CYS   2           2HB      CYS   2  12.461  -3.116  -1.912
    9    H    GLU   3           H        GLU   3  11.169  -5.399  -2.054
   10    HA   GLU   3           HA       GLU   3  12.607  -7.409  -3.582
   11    HB3  GLU   3           2HB      GLU   3  14.156  -6.561  -1.845
   12    HG3  GLU   3           2HG      GLU   3  12.399  -7.715   0.315
   13    HE2  GLU   3           HE       GLU   3  13.947  -4.547   1.482
   14    H    SER   4           H        SER   4  10.191  -6.496  -1.112
   15    HA   SER   4           HA       SER   4   8.171  -7.915  -1.737
   16    HB3  SER   4           2HB      SER   4  10.220  -9.877  -0.718
   17    HG   SER   4           HG       SER   4   7.425  -9.879  -0.120
   18    H    GLY   5           H        GLY   5  10.350  -6.768   0.659
   19    HA2  GLY   5           1HA      GLY   5   8.722  -7.279   2.973
   20    HA3  GLY   5           2HA      GLY   5  10.150  -6.270   2.866
   21    HA   PRO   6           HA       PRO   6   6.145  -3.803   2.511
   22    HB3  PRO   6           2HB      PRO   6   4.467  -4.802   3.732
   23    HG3  PRO   6           2HG      PRO   6   5.160  -6.546   5.073
   24    HD3  PRO   6           2HD      PRO   6   7.071  -7.180   3.964
   25    H    CYS   7           H        CYS   7   5.707  -1.588   3.243
   26    HA   CYS   7           HA       CYS   7   6.331   0.318   4.179
   27    HB3  CYS   7           2HB      CYS   7   8.640  -0.076   5.688
   28    H    CYS   8           H        CYS   8   6.970  -0.124   1.623
   29    HA   CYS   8           HA       CYS   8   9.232   1.427   1.197
   30    HB3  CYS   8           2HB      CYS   8  10.437  -0.625   1.894
   31    H    ARG   9           H        ARG   9   6.526   1.485   0.444
   32    HA   ARG   9           HA       ARG   9   5.279   0.545  -1.421
   33    HB3  ARG   9           2HB      ARG   9   4.594   2.734  -1.422
   34    HG3  ARG   9           2HG      ARG   9   7.536   3.290  -0.988
   35    HD3  ARG   9           2HD      ARG   9   5.399   5.371  -1.663
   36    HE   ARG   9           HE       ARG   9   7.392   5.766   0.160
   37   HH11  ARG   9          2HH2      ARG   9   7.042   6.894  -3.180
   38   HH12  ARG   9          1HH2      ARG   9   7.959   8.340  -2.919
   39   HH22  ARG   9          1HH       ARG   9   8.866   8.778  -0.745
   40    H    ASN  10           H        ASN  10   8.048   2.531  -2.715
   41    HA   ASN  10           HA       ASN  10   8.434   0.405  -4.673
   42    HB3  ASN  10           2HB      ASN  10   7.684   2.070  -6.116
   43   HD21  ASN  10          1HD2      ASN  10   9.733   3.754  -3.732
   44   HD22  ASN  10          2HD2      ASN  10   8.726   5.147  -3.523
   45    H    CYS  11           H        CYS  11   9.791   0.502  -2.164
   46    HA   CYS  11           HA       CYS  11  11.842   0.268  -1.392
   47    HB3  CYS  11           2HB      CYS  11  13.163   1.323  -3.862
   48    H    LYS  12           H        LYS  12  10.890   2.172  -0.130
   49    HA   LYS  12           HA       LYS  12  12.740   4.114   0.316
   50    HB3  LYS  12           2HB      LYS  12  10.865   5.883  -0.891
   51    HG3  LYS  12           2HG      LYS  12  13.675   5.162  -1.831
   52    HD3  LYS  12           2HD      LYS  12  11.807   7.115  -2.677
   53    HE3  LYS  12           2HE      LYS  12  13.377   8.116  -0.435
   54    HZ1  LYS  12           1HZ      LYS  12  13.939   9.269  -3.104
   55    HZ2  LYS  12           2HZ      LYS  12  14.081  10.159  -1.747
   56    H    PHE  13           H        PHE  13   9.411   2.962   0.261
   57    HA   PHE  13           HA       PHE  13   7.808   3.003   1.771
   58    HB3  PHE  13           2HB      PHE  13  10.137   3.995   3.520
   59    HD1  PHE  13           HD1      PHE  13   6.719   2.530   3.574
   60    HD2  PHE  13           HD2      PHE  13   9.836   4.350   5.806
   61    HE1  PHE  13           HE1      PHE  13   5.199   2.690   5.565
   62    HE2  PHE  13           HE2      PHE  13   8.317   4.510   7.797
   63    HZ   PHE  13           HZ       PHE  13   6.016   3.678   7.653
   64    H    LEU  14           H        LEU  14   6.140   4.399   2.359
   65    HA   LEU  14           HA       LEU  14   6.723   7.217   1.909
   66    HB3  LEU  14           2HB      LEU  14   3.992   6.034   2.278
   67    HG   LEU  14           HG       LEU  14   3.287   7.665   0.645
   68   HD11  LEU  14          1HD1      LEU  14   4.622   9.698   2.101
   69   HD12  LEU  14          2HD1      LEU  14   2.986   9.043   2.354
   70   HD13  LEU  14          3HD1      LEU  14   4.373   8.328   3.209
   71   HD21  LEU  14          1HD2      LEU  14   4.993   7.905  -0.901
   72   HD22  LEU  14          2HD2      LEU  14   5.036   9.459  -0.034
   73   HD23  LEU  14          3HD2      LEU  14   6.230   8.195   0.346
   74    H    LYS  15           H        LYS  15   4.174   5.808   4.012
   75    HA   LYS  15           HA       LYS  15   5.439   6.296   6.442
   76    HB3  LYS  15           2HB      LYS  15   5.381   8.659   5.694
   77    HG3  LYS  15           2HG      LYS  15   2.411   8.716   6.160
   78    HD3  LYS  15           2HD      LYS  15   2.650  10.516   4.361
   79    HE3  LYS  15           2HE      LYS  15   4.374  11.865   6.029
   80    HZ1  LYS  15           1HZ      LYS  15   1.543  11.420   5.906
   81    HZ2  LYS  15           2HZ      LYS  15   2.023  11.785   7.419
   82    H    GLU  16           H        GLU  16   4.417   4.145   6.467
   83    HA   GLU  16           HA       GLU  16   2.520   2.849   6.377
   84    HB3  GLU  16           2HB      GLU  16   1.598   3.109   8.860
   85    HG3  GLU  16           2HG      GLU  16   4.549   2.527   8.328
   86    HE2  GLU  16           HE       GLU  16   5.167   0.838  10.551
   87    H    GLY  17           H        GLY  17   0.714   3.164   5.136
   88    HA2  GLY  17           1HA      GLY  17  -1.683   3.896   5.780
   89    HA3  GLY  17           2HA      GLY  17  -0.979   5.499   5.709
   90    H    THR  18           H        THR  18   0.906   3.953   3.529
   91    HA   THR  18           HA       THR  18  -0.453   5.071   1.302
   92    HB   THR  18           HB       THR  18   1.605   3.205   0.533
   93    HG1  THR  18           HG1      THR  18   3.182   3.859   2.155
   94   HG21  THR  18          1HG2      THR  18   1.045   6.030   0.359
   95   HG22  THR  18          2HG2      THR  18   2.680   5.842   1.041
   96   HG23  THR  18          3HG2      THR  18   2.281   5.107  -0.531
   97    H    ILE  19           H        ILE  19  -2.581   4.063   1.538
   98    HA   ILE  19           HA       ILE  19  -2.958   1.317   1.384
   99    HB   ILE  19           HB       ILE  19  -4.907   2.220   1.935
  100   HG13  ILE  19          2HG1      ILE  19  -6.233   1.524   0.297
  101   HG21  ILE  19          1HG2      ILE  19  -3.985   4.672   0.442
  102   HG22  ILE  19          2HG2      ILE  19  -5.638   4.531   1.087
  103   HG23  ILE  19          3HG2      ILE  19  -4.242   4.447   2.189
  104   HD11  ILE  19          1HD1      ILE  19  -6.491   4.097  -0.045
  105   HD12  ILE  19          2HD1      ILE  19  -5.454   3.865  -1.473
  106   HD13  ILE  19          3HD1      ILE  19  -7.020   3.026  -1.367
  107    H    CYS  20           H        CYS  20  -2.982  -0.171  -0.265
  108    HA   CYS  20           HA       CYS  20  -1.486   0.193  -2.475
  109    HB3  CYS  20           2HB      CYS  20  -3.650  -1.709  -1.735
  110    H    LYS  21           H        LYS  21  -4.939  -0.483  -3.143
  111    HA   LYS  21           HA       LYS  21  -5.104   2.039  -4.623
  112    HB3  LYS  21           2HB      LYS  21  -6.194   0.829  -6.489
  113    HG3  LYS  21           2HG      LYS  21  -3.366   0.619  -5.692
  114    HD3  LYS  21           2HD      LYS  21  -4.344  -1.831  -6.444
  115    HE3  LYS  21           2HE      LYS  21  -3.409  -0.420  -8.990
  116    HZ1  LYS  21           1HZ      LYS  21  -4.044  -3.258  -8.401
  117    HZ2  LYS  21           2HZ      LYS  21  -3.966  -2.674  -9.918
  118    H    ARG  22           H        ARG  22  -6.789   3.201  -3.880
  119    HA   ARG  22           HA       ARG  22  -8.564   2.144  -2.056
  120    HB3  ARG  22           2HB      ARG  22  -8.732   4.647  -3.805
  121    HG3  ARG  22           2HG      ARG  22 -10.966   4.425  -3.083
  122    HD3  ARG  22           2HD      ARG  22 -10.627   2.362  -1.716
  123    HE   ARG  22           HE       ARG  22  -8.763   2.958  -0.261
  124   HH11  ARG  22          2HH2      ARG  22 -11.841   4.472   0.631
  125   HH12  ARG  22          1HH2      ARG  22 -11.337   4.833   2.248
  126   HH22  ARG  22          1HH       ARG  22  -9.133   4.213   2.956
  127    H    ALA  23           H        ALA  23  -9.038   0.142  -3.565
  128    HA   ALA  23           HA       ALA  23 -10.467   0.205  -5.854
  129    HB1  ALA  23           1HB      ALA  23  -9.609  -1.779  -4.476
  130    HB2  ALA  23           2HB      ALA  23 -11.122  -1.657  -3.546
  131    HB3  ALA  23           3HB      ALA  23 -11.175  -2.002  -5.292
  132    H    ARG  24           H        ARG  24 -11.860   0.301  -2.495
  133    HA   ARG  24           HA       ARG  24 -14.425   0.370  -2.958
  134    HB3  ARG  24           2HB      ARG  24 -14.371   2.434  -1.177
  135    HG3  ARG  24           2HG      ARG  24 -13.472  -0.443  -0.696
  136    HD3  ARG  24           2HD      ARG  24 -14.077  -0.069   1.670
  137    HE   ARG  24           HE       ARG  24 -11.855   1.345   0.443
  138   HH11  ARG  24          2HH2      ARG  24 -13.530   0.854   3.527
  139   HH12  ARG  24          1HH2      ARG  24 -12.139   1.239   4.486
  140   HH22  ARG  24          1HH       ARG  24 -10.086   1.822   3.394
  141    H    GLY  25           H        GLY  25 -12.111   2.839  -3.999
  142    HA2  GLY  25           1HA      GLY  25 -14.272   4.216  -5.433
  143    HA3  GLY  25           2HA      GLY  25 -13.231   5.150  -4.377
  144    H    ASP  26           H        ASP  26 -10.730   3.821  -4.779
  145    HA   ASP  26           HA       ASP  26 -10.242   3.567  -7.542
  146    HB3  ASP  26           2HB      ASP  26  -8.614   5.528  -7.634
  147    HD2  ASP  26           HD       ASP  26 -11.106   8.140  -7.814
  148    H    ASP  27           H        ASP  27  -7.591   5.196  -6.148
  149    HA   ASP  27           HA       ASP  27  -6.680   3.031  -4.528
  150    HB3  ASP  27           2HB      ASP  27  -6.161   2.524  -7.056
  151    HD2  ASP  27           HD       ASP  27  -3.181   3.426  -5.993
  152    H    MET  28           H        MET  28  -4.860   3.745  -3.195
  153    HA   MET  28           HA       MET  28  -4.431   6.612  -3.387
  154    HB3  MET  28           2HB      MET  28  -3.510   6.189  -0.977
  155    HG3  MET  28           2HG      MET  28  -5.806   5.923  -0.002
  156    HE1  MET  28           1HE      MET  28  -8.086   7.736  -0.647
  157    HE2  MET  28           2HE      MET  28  -7.935   8.822  -2.051
  158    HE3  MET  28           3HE      MET  28  -7.994   7.058  -2.291
  159    H    ASP  29           H        ASP  29  -2.325   4.230  -1.720
  160    HA   ASP  29           HA       ASP  29  -0.320   4.636  -3.762
  161    HB3  ASP  29           2HB      ASP  29   1.388   5.286  -2.161
  162    HD2  ASP  29           HD       ASP  29   1.045   8.073  -2.652
  163    H    ASP  30           H        ASP  30   1.519   3.558  -1.342
  164    HA   ASP  30           HA       ASP  30   0.407   0.915  -1.098
  165    HB3  ASP  30           2HB      ASP  30   2.523  -0.155  -1.871
  166    HD2  ASP  30           HD       ASP  30   3.119  -0.296  -4.308
  167    H    TYR  31           H        TYR  31   0.636   0.503   1.104
  168    HA   TYR  31           HA       TYR  31   3.027   1.605   2.424
  169    HB3  TYR  31           2HB      TYR  31   0.250   2.054   2.815
  170    HD1  TYR  31           HD2      TYR  31  -0.905  -0.199   2.991
  171    HD2  TYR  31           HD1      TYR  31   1.712   1.288   6.031
  172    HE1  TYR  31           HE2      TYR  31  -1.891  -1.848   4.656
  173    HE2  TYR  31           HE1      TYR  31   0.718  -0.366   7.686
  174    HH   TYR  31           HH       TYR  31  -2.150  -2.007   7.090
  175    H    CYS  32           H        CYS  32   3.753   0.345   4.366
  176    HA   CYS  32           HA       CYS  32   3.920  -2.395   3.658
  177    HB3  CYS  32           2HB      CYS  32   5.741  -1.020   4.716
  178    H    ASN  33           H        ASN  33   2.133  -3.700   3.956
  179    HA   ASN  33           HA       ASN  33   0.365  -3.098   6.136
  180    HB3  ASN  33           2HB      ASN  33  -0.167  -3.954   3.633
  181   HD21  ASN  33          1HD2      ASN  33   0.454  -5.539   2.393
  182   HD22  ASN  33          2HD2      ASN  33   0.605  -7.212   2.814
  183    H    GLY  34           H        GLY  34   3.284  -4.450   6.111
  184    HA2  GLY  34           1HA      GLY  34   4.243  -5.742   7.749
  185    HA3  GLY  34           2HA      GLY  34   2.669  -6.351   8.220
  186    H    LYS  35           H        LYS  35   3.164  -6.377   4.784
  187    HA   LYS  35           HA       LYS  35   4.099  -9.152   4.895
  188    HB3  LYS  35           2HB      LYS  35   2.150  -8.702   2.779
  189    HG3  LYS  35           2HG      LYS  35   1.203 -10.655   4.526
  190    HD3  LYS  35           2HD      LYS  35   3.298 -10.908   2.316
  191    HE3  LYS  35           2HE      LYS  35   1.581 -13.183   2.449
  192    HZ1  LYS  35           1HZ      LYS  35   4.441 -12.724   3.067
  193    HZ2  LYS  35           2HZ      LYS  35   3.790 -14.217   3.115
  194    H    THR  36           H        THR  36   3.373  -6.291   2.784
  195    HA   THR  36           HA       THR  36   6.034  -6.462   1.690
  196    HB   THR  36           HB       THR  36   4.758  -8.147   0.339
  197    HG1  THR  36           HG1      THR  36   5.281  -6.975  -1.687
  198   HG21  THR  36          1HG2      THR  36   2.696  -7.712  -0.564
  199   HG22  THR  36          2HG2      THR  36   2.624  -6.313   0.534
  200   HG23  THR  36          3HG2      THR  36   3.217  -6.108  -1.131
  201    H    CYS  37           H        CYS  37   5.990  -4.726  -0.333
  202    HA   CYS  37           HA       CYS  37   4.497  -2.429   0.690
  203    HB3  CYS  37           2HB      CYS  37   6.759  -2.246   1.546
  204    H    ASP  38           H        ASP  38   3.238  -3.648  -1.238
  205    HA   ASP  38           HA       ASP  38   4.033  -2.207  -3.630
  206    HB3  ASP  38           2HB      ASP  38   2.775  -4.936  -3.901
  207    HD2  ASP  38           HD       ASP  38   4.712  -2.605  -6.289
  208    H    CYS  39           H        CYS  39   2.173  -1.122  -1.967
  209    HA   CYS  39           HA       CYS  39   0.147  -0.212  -2.212
  210    HB3  CYS  39           2HB      CYS  39   0.215  -1.321  -4.605
  211    HA   PRO  40           HA       PRO  40  -0.888  -3.990   0.401
  212    HB3  PRO  40           2HB      PRO  40   1.077  -4.963   1.102
  213    HG3  PRO  40           2HG      PRO  40   2.978  -3.744   0.628
  214    HD3  PRO  40           2HD      PRO  40   2.231  -2.501  -1.156
  215    H    ARG  41           H        ARG  41  -2.433  -1.992   0.224
  216    HA   ARG  41           HA       ARG  41  -3.332  -1.639   2.803
  217    HB3  ARG  41           2HB      ARG  41  -1.986   0.856   1.649
  218    HG3  ARG  41           2HG      ARG  41  -3.591   0.306   4.176
  219    HD3  ARG  41           2HD      ARG  41  -2.668   2.982   4.224
  220    HE   ARG  41           HE       ARG  41  -1.379   0.969   5.960
  221   HH11  ARG  41          2HH2      ARG  41  -4.221   3.015   5.415
  222   HH12  ARG  41          1HH2      ARG  41  -4.747   2.938   7.063
  223   HH22  ARG  41          1HH       ARG  41  -3.468   1.670   8.645
  224    H    ASN  42           H        ASN  42  -4.705  -2.496   0.684
  225    HA   ASN  42           HA       ASN  42  -6.287  -0.173  -0.072
  226    HB3  ASN  42           2HB      ASN  42  -5.232  -0.685  -2.140
  227   HD21  ASN  42          1HD2      ASN  42  -4.184  -2.506  -0.074
  228   HD22  ASN  42          2HD2      ASN  42  -3.686  -3.954  -0.884
  229    HA   PRO  43           HA       PRO  43  -8.625  -3.765   1.711
  230    HB3  PRO  43           2HB      PRO  43  -7.976  -3.745   3.921
  231    HG3  PRO  43           2HG      PRO  43  -6.710  -1.918   4.536
  232    HD3  PRO  43           2HD      PRO  43  -5.835  -1.322   2.496
  233    H    HIS  44           H        HIS  44  -9.417  -2.127  -0.296
  234    HA   HIS  44           HA       HIS  44 -11.945  -1.067   0.704
  235    HB3  HIS  44           2HB      HIS  44 -11.869   0.497  -0.931
  236    HD1  HIS  44           HD1      HIS  44  -9.444  -0.026   1.201
  237    HD2  HIS  44           HD2      HIS  44  -9.126   1.215  -2.793
  238    HE1  HIS  44           HE1      HIS  44  -7.203   1.178   1.003
  239    H    LYS  45           H        LYS  45 -12.750  -1.275  -2.341
  240    HA   LYS  45           HA       LYS  45 -14.628  -3.018  -2.398
  241    HB3  LYS  45           2HB      LYS  45 -13.893  -3.691  -4.768
  242    HG3  LYS  45           2HG      LYS  45 -13.655  -0.786  -4.844
  243    HD3  LYS  45           2HD      LYS  45 -15.383  -2.949  -5.845
  244    HE3  LYS  45           2HE      LYS  45 -16.618  -0.500  -4.626
  245    HZ1  LYS  45           1HZ      LYS  45 -18.212  -0.298  -6.339
  246    HZ2  LYS  45           2HZ      LYS  45 -16.801  -0.325  -7.151
  247    H    GLY  46           H        GLY  46 -11.487  -4.408  -3.545
  248    HA2  GLY  46           1HA      GLY  46 -11.769  -6.622  -1.666
  249    HA3  GLY  46           2HA      GLY  46 -11.935  -7.009  -3.368
  250    HA   PRO  47           HA       PRO  47  -7.580  -5.491  -3.509
  251    HB3  PRO  47           2HB      PRO  47  -7.470  -3.227  -3.918
  252    HG3  PRO  47           2HG      PRO  47  -9.240  -2.011  -3.079
  253    HD3  PRO  47           2HD      PRO  47 -10.849  -3.650  -2.975
  254    H    ALA  48           H        ALA  48  -5.648  -4.258  -1.701
  255    HA   ALA  48           HA       ALA  48  -5.026  -4.606   0.551
  256    HB1  ALA  48           1HB      ALA  48  -5.633  -6.624   1.739
  257    HB2  ALA  48           2HB      ALA  48  -7.107  -5.963   0.991
  258    HB3  ALA  48           3HB      ALA  48  -6.285  -7.360   0.256
  259    H    THR  49           H        THR  49  -2.848  -4.819   0.529
  260    HA   THR  49           HA       THR  49  -1.727  -7.128  -0.891
  261    HB   THR  49           HB       THR  49  -1.350  -4.188  -1.437
  262    HG1  THR  49           HG1      THR  49  -2.435  -5.885  -2.804
  263   HG21  THR  49          1HG2      THR  49   0.896  -5.874  -0.813
  264   HG22  THR  49          2HG2      THR  49   0.819  -5.735  -2.585
  265   HG23  THR  49          3HG2      THR  49   0.927  -4.269  -1.581
  Start of MODEL    2
    1    H2   GLU   1           1H       GLU   1   6.068  -2.922  -3.942
    2    HA   GLU   1           HA       GLU   1   7.478  -4.121  -2.772
    3    HB3  GLU   1           2HB      GLU   1   6.117  -5.921  -3.620
    4    HG3  GLU   1           2HG      GLU   1   7.993  -6.089  -6.021
    5    HE2  GLU   1           HE       GLU   1   4.461  -7.723  -6.162
    6    H    CYS   2           H        CYS   2   9.474  -3.140  -2.542
    7    HA   CYS   2           HA       CYS   2  11.278  -2.989  -4.732
    8    HB3  CYS   2           2HB      CYS   2  11.561  -2.333  -1.797
    9    H    GLU   3           H        GLU   3  10.231  -5.554  -2.902
   10    HA   GLU   3           HA       GLU   3  10.968  -7.562  -2.531
   11    HB3  GLU   3           2HB      GLU   3  13.465  -7.927  -3.701
   12    HG3  GLU   3           2HG      GLU   3  11.050  -9.017  -4.041
   13    HE2  GLU   3           HE       GLU   3  12.252  -7.019  -6.636
   14    H    SER   4           H        SER   4  11.223  -6.201  -0.345
   15    HA   SER   4           HA       SER   4  13.492  -7.254   0.892
   16    HB3  SER   4           2HB      SER   4  13.506  -4.281   0.271
   17    HG   SER   4           HG       SER   4  14.287  -5.517   2.617
   18    H    GLY   5           H        GLY   5  10.503  -7.056   1.036
   19    HA2  GLY   5           1HA      GLY   5   9.247  -7.316   2.988
   20    HA3  GLY   5           2HA      GLY   5  10.335  -6.247   3.850
   21    HA   PRO   6           HA       PRO   6   6.658  -3.900   2.314
   22    HB3  PRO   6           2HB      PRO   6   4.874  -4.875   3.394
   23    HG3  PRO   6           2HG      PRO   6   5.451  -6.429   4.999
   24    HD3  PRO   6           2HD      PRO   6   7.530  -7.049   4.237
   25    H    CYS   7           H        CYS   7   5.749  -1.705   3.170
   26    HA   CYS   7           HA       CYS   7   6.167   0.289   4.023
   27    HB3  CYS   7           2HB      CYS   7   8.585   0.138   5.460
   28    H    CYS   8           H        CYS   8   6.872  -0.290   1.442
   29    HA   CYS   8           HA       CYS   8   8.906   1.578   0.946
   30    HB3  CYS   8           2HB      CYS   8  10.390  -0.245   1.603
   31    H    ARG   9           H        ARG   9   6.289   1.573   0.205
   32    HA   ARG   9           HA       ARG   9   4.937   0.590  -1.512
   33    HB3  ARG   9           2HB      ARG   9   4.396   2.773  -1.892
   34    HG3  ARG   9           2HG      ARG   9   7.367   3.294  -1.452
   35    HD3  ARG   9           2HD      ARG   9   5.109   5.291  -1.966
   36    HE   ARG   9           HE       ARG   9   7.047   5.792  -0.175
   37   HH11  ARG   9          2HH2      ARG   9   6.884   6.789  -3.572
   38   HH12  ARG   9          1HH2      ARG   9   7.820   8.225  -3.323
   39   HH22  ARG   9          1HH       ARG   9   8.631   8.733  -1.126
   40    H    ASN  10           H        ASN  10   7.627   2.245  -3.297
   41    HA   ASN  10           HA       ASN  10   7.679  -0.074  -5.049
   42    HB3  ASN  10           2HB      ASN  10   7.200   2.261  -6.001
   43   HD21  ASN  10          1HD2      ASN  10   7.685   3.825  -4.347
   44   HD22  ASN  10          2HD2      ASN  10   9.161   4.731  -4.395
   45    H    CYS  11           H        CYS  11   9.573   2.136  -2.961
   46    HA   CYS  11           HA       CYS  11  11.436   0.496  -2.091
   47    HB3  CYS  11           2HB      CYS  11  12.681   1.615  -4.595
   48    H    LYS  12           H        LYS  12  10.653   2.361  -0.666
   49    HA   LYS  12           HA       LYS  12  12.653   4.107  -0.093
   50    HB3  LYS  12           2HB      LYS  12  10.750   5.975  -1.296
   51    HG3  LYS  12           2HG      LYS  12  12.920   6.920  -2.169
   52    HD3  LYS  12           2HD      LYS  12  13.616   6.322   0.661
   53    HE3  LYS  12           2HE      LYS  12  12.933   8.997   0.449
   54    HZ1  LYS  12           1HZ      LYS  12  15.187   9.264   0.633
   55    HZ2  LYS  12           2HZ      LYS  12  15.175   7.659   0.912
   56    H    PHE  13           H        PHE  13   9.318   3.087  -0.116
   57    HA   PHE  13           HA       PHE  13   7.758   3.096   1.441
   58    HB3  PHE  13           2HB      PHE  13  10.203   3.990   3.063
   59    HD1  PHE  13           HD1      PHE  13   6.740   2.668   3.557
   60    HD2  PHE  13           HD2      PHE  13   9.989   4.864   5.179
   61    HE1  PHE  13           HE1      PHE  13   5.381   3.163   5.609
   62    HE2  PHE  13           HE2      PHE  13   8.631   5.359   7.230
   63    HZ   PHE  13           HZ       PHE  13   6.343   4.502   7.421
   64    H    LEU  14           H        LEU  14   6.196   4.489   2.490
   65    HA   LEU  14           HA       LEU  14   6.735   7.323   1.943
   66    HB3  LEU  14           2HB      LEU  14   3.999   6.122   2.202
   67    HG   LEU  14           HG       LEU  14   3.596   7.823   0.307
   68   HD11  LEU  14          1HD1      LEU  14   2.716   7.973   2.628
   69   HD12  LEU  14          2HD1      LEU  14   4.163   8.905   3.079
   70   HD13  LEU  14          3HD1      LEU  14   3.026   9.555   1.874
   71   HD21  LEU  14          1HD2      LEU  14   5.855   9.391   1.482
   72   HD22  LEU  14          2HD2      LEU  14   6.211   8.188   0.220
   73   HD23  LEU  14          3HD2      LEU  14   5.075   9.518  -0.112
   74    H    LYS  15           H        LYS  15   4.176   5.775   3.945
   75    HA   LYS  15           HA       LYS  15   5.399   6.192   6.409
   76    HB3  LYS  15           2HB      LYS  15   5.262   8.588   5.722
   77    HG3  LYS  15           2HG      LYS  15   2.281   8.388   6.218
   78    HD3  LYS  15           2HD      LYS  15   3.501  10.336   4.314
   79    HE3  LYS  15           2HE      LYS  15   1.100  10.062   5.777
   80    HZ1  LYS  15           1HZ      LYS  15   2.022  11.040   7.725
   81    HZ2  LYS  15           2HZ      LYS  15   2.839  12.184   6.903
   82    H    GLU  16           H        GLU  16   4.497   4.171   6.846
   83    HA   GLU  16           HA       GLU  16   2.581   2.777   6.491
   84    HB3  GLU  16           2HB      GLU  16   1.726   2.884   9.002
   85    HG3  GLU  16           2HG      GLU  16   4.665   2.410   8.310
   86    HE2  GLU  16           HE       GLU  16   2.173   1.643  10.977
   87    H    GLY  17           H        GLY  17   0.730   3.110   5.327
   88    HA2  GLY  17           1HA      GLY  17  -1.654   3.797   6.090
   89    HA3  GLY  17           2HA      GLY  17  -0.965   5.407   6.024
   90    H    THR  18           H        THR  18   0.839   3.898   3.743
   91    HA   THR  18           HA       THR  18  -0.632   5.047   1.594
   92    HB   THR  18           HB       THR  18   1.413   3.347   0.603
   93    HG1  THR  18           HG1      THR  18   2.932   3.399   2.273
   94   HG21  THR  18          1HG2      THR  18   2.318   5.999   1.602
   95   HG22  THR  18          2HG2      THR  18   2.354   5.346  -0.053
   96   HG23  THR  18          3HG2      THR  18   0.860   6.075   0.586
   97    H    ILE  19           H        ILE  19  -2.711   4.046   1.687
   98    HA   ILE  19           HA       ILE  19  -3.088   1.297   1.625
   99    HB   ILE  19           HB       ILE  19  -5.080   2.164   2.022
  100   HG13  ILE  19          2HG1      ILE  19  -6.183   1.395   0.244
  101   HG21  ILE  19          1HG2      ILE  19  -4.363   4.379   2.366
  102   HG22  ILE  19          2HG2      ILE  19  -4.077   4.649   0.630
  103   HG23  ILE  19          3HG2      ILE  19  -5.740   4.499   1.245
  104   HD11  ILE  19          1HD1      ILE  19  -5.731   4.276  -0.615
  105   HD12  ILE  19          2HD1      ILE  19  -6.699   3.148  -1.595
  106   HD13  ILE  19          3HD1      ILE  19  -7.204   3.544   0.065
  107    H    CYS  20           H        CYS  20  -3.178  -0.245   0.002
  108    HA   CYS  20           HA       CYS  20  -1.545   0.005  -2.144
  109    HB3  CYS  20           2HB      CYS  20  -3.738  -1.832  -1.383
  110    H    LYS  21           H        LYS  21  -5.007  -0.579  -2.891
  111    HA   LYS  21           HA       LYS  21  -5.003   1.856  -4.524
  112    HB3  LYS  21           2HB      LYS  21  -6.079   0.640  -6.345
  113    HG3  LYS  21           2HG      LYS  21  -3.827  -1.219  -5.939
  114    HD3  LYS  21           2HD      LYS  21  -3.012  -0.144  -7.991
  115    HE3  LYS  21           2HE      LYS  21  -5.856  -0.003  -8.731
  116    HZ1  LYS  21           1HZ      LYS  21  -3.600  -1.835  -9.328
  117    HZ2  LYS  21           2HZ      LYS  21  -5.076  -2.024  -9.989
  118    H    ARG  22           H        ARG  22  -6.657   3.170  -3.988
  119    HA   ARG  22           HA       ARG  22  -8.489   2.398  -2.068
  120    HB3  ARG  22           2HB      ARG  22  -8.490   4.725  -4.052
  121    HG3  ARG  22           2HG      ARG  22 -10.723   4.807  -3.389
  122    HD3  ARG  22           2HD      ARG  22 -10.613   2.710  -2.010
  123    HE   ARG  22           HE       ARG  22  -8.871   3.109  -0.391
  124   HH11  ARG  22          2HH2      ARG  22 -11.722   5.142   0.149
  125   HH12  ARG  22          1HH2      ARG  22 -11.278   5.549   1.771
  126   HH22  ARG  22          1HH       ARG  22  -9.252   4.659   2.693
  127    H    ALA  23           H        ALA  23  -8.929   0.290  -3.570
  128    HA   ALA  23           HA       ALA  23 -10.338   0.150  -5.793
  129    HB1  ALA  23           1HB      ALA  23 -10.376  -1.958  -5.016
  130    HB2  ALA  23           2HB      ALA  23 -10.128  -1.391  -3.347
  131    HB3  ALA  23           3HB      ALA  23 -11.776  -1.515  -4.009
  132    H    ARG  24           H        ARG  24 -12.058   0.519  -2.604
  133    HA   ARG  24           HA       ARG  24 -14.505   0.849  -3.260
  134    HB3  ARG  24           2HB      ARG  24 -14.427   3.055  -1.681
  135    HG3  ARG  24           2HG      ARG  24 -13.805   0.170  -0.931
  136    HD3  ARG  24           2HD      ARG  24 -14.410   0.817   1.411
  137    HE   ARG  24           HE       ARG  24 -11.958   1.868   0.134
  138   HH11  ARG  24          2HH2      ARG  24 -13.637   1.123   3.162
  139   HH12  ARG  24          1HH2      ARG  24 -12.185   1.096   4.106
  140   HH22  ARG  24          1HH       ARG  24 -10.082   1.515   3.036
  141    H    GLY  25           H        GLY  25 -11.924   3.103  -4.235
  142    HA2  GLY  25           1HA      GLY  25 -13.862   4.487  -5.974
  143    HA3  GLY  25           2HA      GLY  25 -12.774   5.407  -4.954
  144    H    ASP  26           H        ASP  26 -10.396   3.868  -5.093
  145    HA   ASP  26           HA       ASP  26  -9.806   3.214  -7.760
  146    HB3  ASP  26           2HB      ASP  26  -8.647   5.816  -6.653
  147    HD2  ASP  26           HD       ASP  26  -6.695   6.342  -9.380
  148    H    ASP  27           H        ASP  27  -7.122   4.886  -6.484
  149    HA   ASP  27           HA       ASP  27  -6.406   2.839  -4.598
  150    HB3  ASP  27           2HB      ASP  27  -5.681   2.204  -7.047
  151    HD2  ASP  27           HD       ASP  27  -3.075   3.889  -5.493
  152    H    MET  28           H        MET  28  -4.688   3.607  -3.160
  153    HA   MET  28           HA       MET  28  -4.228   6.462  -3.452
  154    HB3  MET  28           2HB      MET  28  -3.517   6.171  -0.964
  155    HG3  MET  28           2HG      MET  28  -5.876   5.905  -0.158
  156    HE1  MET  28           1HE      MET  28  -5.627   7.742  -4.134
  157    HE2  MET  28           2HE      MET  28  -6.567   6.330  -3.599
  158    HE3  MET  28           3HE      MET  28  -7.320   7.941  -3.623
  159    H    ASP  29           H        ASP  29  -2.304   4.027  -1.612
  160    HA   ASP  29           HA       ASP  29  -0.136   4.376  -3.475
  161    HB3  ASP  29           2HB      ASP  29   1.453   5.112  -1.810
  162    HD2  ASP  29           HD       ASP  29  -0.288   8.017  -2.829
  163    H    ASP  30           H        ASP  30   1.544   3.387  -0.929
  164    HA   ASP  30           HA       ASP  30   0.400   0.731  -0.744
  165    HB3  ASP  30           2HB      ASP  30   2.536  -0.336  -1.223
  166    HD2  ASP  30           HD       ASP  30   2.987   1.382  -4.645
  167    H    TYR  31           H        TYR  31   0.360   0.188   1.445
  168    HA   TYR  31           HA       TYR  31   2.325   1.529   3.179
  169    HB3  TYR  31           2HB      TYR  31  -0.569   1.389   3.099
  170    HD1  TYR  31           HD1      TYR  31   1.497   0.467   6.100
  171    HD2  TYR  31           HD2      TYR  31  -2.046  -0.249   3.812
  172    HE1  TYR  31           HE1      TYR  31   0.722  -1.236   7.821
  173    HE2  TYR  31           HE2      TYR  31  -2.810  -1.949   5.541
  174    HH   TYR  31           HH       TYR  31  -0.902  -3.376   7.629
  175    H    CYS  32           H        CYS  32   3.865   0.140   3.880
  176    HA   CYS  32           HA       CYS  32   4.116  -2.437   3.532
  177    HB3  CYS  32           2HB      CYS  32   5.823  -1.222   4.645
  178    H    ASN  33           H        ASN  33   3.033  -4.325   4.045
  179    HA   ASN  33           HA       ASN  33   0.940  -4.051   6.052
  180    HB3  ASN  33           2HB      ASN  33   0.040  -4.619   3.841
  181   HD21  ASN  33          1HD2      ASN  33  -0.214  -6.327   2.196
  182   HD22  ASN  33          2HD2      ASN  33   1.198  -7.122   1.584
  183    H    GLY  34           H        GLY  34   3.964  -4.757   6.253
  184    HA2  GLY  34           1HA      GLY  34   5.145  -6.069   7.673
  185    HA3  GLY  34           2HA      GLY  34   3.679  -6.927   8.103
  186    H    LYS  35           H        LYS  35   3.530  -7.027   4.820
  187    HA   LYS  35           HA       LYS  35   5.044  -9.540   4.735
  188    HB3  LYS  35           2HB      LYS  35   3.133  -9.338   2.611
  189    HG3  LYS  35           2HG      LYS  35   2.894 -11.026   5.128
  190    HD3  LYS  35           2HD      LYS  35   2.522 -12.685   3.004
  191    HE3  LYS  35           2HE      LYS  35   0.088 -11.080   3.467
  192    HZ1  LYS  35           1HZ      LYS  35   0.994 -13.848   3.753
  193    HZ2  LYS  35           2HZ      LYS  35  -0.300 -13.404   4.638
  194    H    THR  36           H        THR  36   3.799  -7.054   2.392
  195    HA   THR  36           HA       THR  36   6.523  -6.645   1.461
  196    HB   THR  36           HB       THR  36   4.258  -7.848  -0.206
  197    HG1  THR  36           HG1      THR  36   5.617  -9.415   0.740
  198   HG21  THR  36          1HG2      THR  36   6.021  -7.739  -2.067
  199   HG22  THR  36          2HG2      THR  36   5.284  -6.173  -1.656
  200   HG23  THR  36          3HG2      THR  36   6.910  -6.577  -1.054
  201    H    CYS  37           H        CYS  37   6.666  -4.801  -0.089
  202    HA   CYS  37           HA       CYS  37   4.622  -2.856   0.667
  203    HB3  CYS  37           2HB      CYS  37   6.739  -2.135   1.401
  204    H    ASP  38           H        ASP  38   3.132  -3.716  -1.000
  205    HA   ASP  38           HA       ASP  38   3.790  -2.577  -3.567
  206    HB3  ASP  38           2HB      ASP  38   2.689  -5.411  -3.280
  207    HD2  ASP  38           HD       ASP  38   4.897  -4.202  -5.508
  208    H    CYS  39           H        CYS  39   2.117  -1.253  -1.987
  209    HA   CYS  39           HA       CYS  39   0.090  -0.367  -1.990
  210    HB3  CYS  39           2HB      CYS  39  -0.027  -1.445  -4.377
  211    HA   PRO  40           HA       PRO  40  -0.807  -3.989   0.827
  212    HB3  PRO  40           2HB      PRO  40   1.222  -4.664   1.683
  213    HG3  PRO  40           2HG      PRO  40   2.993  -3.281   1.166
  214    HD3  PRO  40           2HD      PRO  40   2.194  -2.291  -0.749
  215    H    ARG  41           H        ARG  41  -2.422  -1.984   0.341
  216    HA   ARG  41           HA       ARG  41  -3.627  -1.637   2.790
  217    HB3  ARG  41           2HB      ARG  41  -2.321   0.936   1.778
  218    HG3  ARG  41           2HG      ARG  41  -4.021   0.190   4.186
  219    HD3  ARG  41           2HD      ARG  41  -3.136   2.918   4.346
  220    HE   ARG  41           HE       ARG  41  -2.146   0.916   6.269
  221   HH11  ARG  41          2HH2      ARG  41  -4.886   2.934   5.281
  222   HH12  ARG  41          1HH2      ARG  41  -5.655   2.867   6.832
  223   HH22  ARG  41          1HH       ARG  41  -4.622   1.623   8.600
  224    H    ASN  42           H        ASN  42  -5.027  -2.527   0.905
  225    HA   ASN  42           HA       ASN  42  -6.408  -0.255  -0.247
  226    HB3  ASN  42           2HB      ASN  42  -5.143  -0.986  -2.151
  227   HD21  ASN  42          1HD2      ASN  42  -4.373  -2.714   0.047
  228   HD22  ASN  42          2HD2      ASN  42  -3.992  -4.268  -0.613
  229    HA   PRO  43           HA       PRO  43  -8.928  -3.717   1.588
  230    HB3  PRO  43           2HB      PRO  43  -8.350  -3.690   3.816
  231    HG3  PRO  43           2HG      PRO  43  -7.026  -1.909   4.445
  232    HD3  PRO  43           2HD      PRO  43  -6.061  -1.384   2.426
  233    H    HIS  44           H        HIS  44  -9.623  -2.174  -0.483
  234    HA   HIS  44           HA       HIS  44 -12.167  -1.044   0.429
  235    HB3  HIS  44           2HB      HIS  44 -11.953   0.634  -1.063
  236    HD1  HIS  44           HD1      HIS  44  -9.760   0.199   1.169
  237    HD2  HIS  44           HD2      HIS  44  -8.986   1.080  -2.859
  238    HE1  HIS  44           HE1      HIS  44  -7.439   1.258   1.102
  239    H    LYS  45           H        LYS  45 -12.661  -1.095  -2.726
  240    HA   LYS  45           HA       LYS  45 -14.572  -2.729  -3.089
  241    HB3  LYS  45           2HB      LYS  45 -13.672  -3.387  -5.339
  242    HG3  LYS  45           2HG      LYS  45 -12.979  -0.794  -5.807
  243    HD3  LYS  45           2HD      LYS  45 -15.100  -2.106  -6.484
  244    HE3  LYS  45           2HE      LYS  45 -15.842  -1.111  -3.736
  245    HZ1  LYS  45           1HZ      LYS  45 -17.373  -0.525  -6.023
  246    HZ2  LYS  45           2HZ      LYS  45 -18.170  -1.668  -5.180
  247    H    GLY  46           H        GLY  46 -11.330  -4.275  -3.621
  248    HA2  GLY  46           1HA      GLY  46 -12.159  -6.517  -1.936
  249    HA3  GLY  46           2HA      GLY  46 -11.863  -6.845  -3.631
  250    HA   PRO  47           HA       PRO  47  -7.559  -5.668  -2.761
  251    HB3  PRO  47           2HB      PRO  47  -7.161  -3.616  -3.726
  252    HG3  PRO  47           2HG      PRO  47  -8.979  -2.197  -3.756
  253    HD3  PRO  47           2HD      PRO  47 -10.692  -3.727  -3.643
  254    H    ALA  48           H        ALA  48  -5.770  -4.616  -1.066
  255    HA   ALA  48           HA       ALA  48  -5.911  -4.110   1.376
  256    HB1  ALA  48           1HB      ALA  48  -7.949  -5.181   1.934
  257    HB2  ALA  48           2HB      ALA  48  -7.464  -6.703   1.148
  258    HB3  ALA  48           3HB      ALA  48  -6.694  -6.203   2.673
  259    H    THR  49           H        THR  49  -3.677  -4.039   1.038
  260    HA   THR  49           HA       THR  49  -2.361  -6.672   1.136
  261    HB   THR  49           HB       THR  49  -1.610  -4.182  -0.484
  262    HG1  THR  49           HG1      THR  49  -3.311  -6.127  -0.936
  263   HG21  THR  49          1HG2      THR  49  -0.139  -6.741   0.188
  264   HG22  THR  49          2HG2      THR  49  -0.004  -6.094  -1.464
  265   HG23  THR  49          3HG2      THR  49   0.516  -5.108  -0.077
  Start of MODEL    3
    1    H2   GLU   1           1H       GLU   1  12.348  -5.379   0.233
    2    HA   GLU   1           HA       GLU   1   9.651  -4.267   0.265
    3    HB3  GLU   1           2HB      GLU   1  10.779  -1.996   0.133
    4    HG3  GLU   1           2HG      GLU   1  10.298  -3.629   2.372
    5    HE2  GLU   1           HE       GLU   1  14.062  -2.356   2.753
    6    H    CYS   2           H        CYS   2  12.750  -3.478  -1.461
    7    HA   CYS   2           HA       CYS   2  11.845  -2.644  -3.780
    8    HB3  CYS   2           2HB      CYS   2  13.911  -4.667  -4.237
    9    H    GLU   3           H        GLU   3  11.732  -6.010  -2.570
   10    HA   GLU   3           HA       GLU   3   9.631  -6.624  -4.313
   11    HB3  GLU   3           2HB      GLU   3  12.022  -8.361  -4.909
   12    HG3  GLU   3           2HG      GLU   3   9.332  -8.235  -5.761
   13    HE2  GLU   3           HE       GLU   3  10.140  -5.471  -7.365
   14    H    SER   4           H        SER   4  10.111  -6.630  -1.490
   15    HA   SER   4           HA       SER   4   8.938  -8.820  -0.646
   16    HB3  SER   4           2HB      SER   4  11.806  -9.448  -1.214
   17    HG   SER   4           HG       SER   4  10.474 -10.100   1.237
   18    H    GLY   5           H        GLY   5   8.457  -6.727   0.541
   19    HA2  GLY   5           1HA      GLY   5   9.221  -6.761   3.161
   20    HA3  GLY   5           2HA      GLY   5  10.401  -5.718   2.393
   21    HA   PRO   6           HA       PRO   6   6.096  -3.734   2.661
   22    HB3  PRO   6           2HB      PRO   6   4.684  -4.818   4.122
   23    HG3  PRO   6           2HG      PRO   6   5.706  -6.397   5.455
   24    HD3  PRO   6           2HD      PRO   6   7.536  -6.904   4.160
   25    H    CYS   7           H        CYS   7   5.802  -1.521   2.818
   26    HA   CYS   7           HA       CYS   7   6.225   0.483   3.840
   27    HB3  CYS   7           2HB      CYS   7   8.166   0.918   5.225
   28    H    CYS   8           H        CYS   8   6.256   0.437   1.327
   29    HA   CYS   8           HA       CYS   8   8.217   2.031   0.369
   30    HB3  CYS   8           2HB      CYS   8   9.417  -0.404   0.786
   31    H    ARG   9           H        ARG   9   7.148   2.927  -1.365
   32    HA   ARG   9           HA       ARG   9   4.868   1.647  -2.361
   33    HB3  ARG   9           2HB      ARG   9   4.569   3.924  -2.578
   34    HG3  ARG   9           2HG      ARG   9   6.771   5.272  -3.477
   35    HD3  ARG   9           2HD      ARG   9   5.502   5.780  -1.390
   36    HE   ARG   9           HE       ARG   9   7.108   3.804   0.136
   37   HH11  ARG   9          2HH2      ARG   9   3.945   4.721  -1.172
   38   HH12  ARG   9          1HH2      ARG   9   3.068   3.633  -0.149
   39   HH22  ARG   9          1HH       ARG   9   4.267   2.259   1.406
   40    H    ASN  10           H        ASN  10   8.119   1.064  -2.942
   41    HA   ASN  10           HA       ASN  10   7.585  -0.557  -5.135
   42    HB3  ASN  10           2HB      ASN  10   8.123   0.725  -6.956
   43   HD21  ASN  10          1HD2      ASN  10   9.190   2.882  -4.333
   44   HD22  ASN  10          2HD2      ASN  10   8.066   4.166  -4.631
   45    H    CYS  11           H        CYS  11   9.944   1.492  -3.325
   46    HA   CYS  11           HA       CYS  11  11.419  -0.641  -2.392
   47    HB3  CYS  11           2HB      CYS  11  12.766   0.692  -4.750
   48    H    LYS  12           H        LYS  12  10.182   1.863  -1.576
   49    HA   LYS  12           HA       LYS  12  12.557   3.160  -0.486
   50    HB3  LYS  12           2HB      LYS  12  10.598   5.178  -1.027
   51    HG3  LYS  12           2HG      LYS  12  13.147   4.960  -2.598
   52    HD3  LYS  12           2HD      LYS  12  11.583   7.052  -1.079
   53    HE3  LYS  12           2HE      LYS  12  13.843   8.424  -1.817
   54    HZ1  LYS  12           1HZ      LYS  12  12.564   7.918   0.500
   55    HZ2  LYS  12           2HZ      LYS  12  14.016   7.258   0.824
   56    H    PHE  13           H        PHE  13   9.178   4.304  -0.292
   57    HA   PHE  13           HA       PHE  13   7.865   3.133   1.515
   58    HB3  PHE  13           2HB      PHE  13  10.482   4.065   2.781
   59    HD1  PHE  13           HD1      PHE  13   7.141   2.844   3.947
   60    HD2  PHE  13           HD2      PHE  13  10.541   5.255   4.741
   61    HE1  PHE  13           HE1      PHE  13   6.120   3.567   6.123
   62    HE2  PHE  13           HE2      PHE  13   9.520   5.979   6.916
   63    HZ   PHE  13           HZ       PHE  13   7.322   5.126   7.582
   64    H    LEU  14           H        LEU  14   6.147   4.430   2.040
   65    HA   LEU  14           HA       LEU  14   6.560   7.289   1.707
   66    HB3  LEU  14           2HB      LEU  14   3.899   5.994   2.132
   67    HG   LEU  14           HG       LEU  14   3.100   7.582   0.502
   68   HD11  LEU  14          1HD1      LEU  14   3.143   8.349   2.795
   69   HD12  LEU  14          2HD1      LEU  14   4.822   8.910   2.612
   70   HD13  LEU  14          3HD1      LEU  14   3.516   9.703   1.701
   71   HD21  LEU  14          1HD2      LEU  14   5.395   9.290   0.180
   72   HD22  LEU  14          2HD2      LEU  14   5.775   7.643  -0.377
   73   HD23  LEU  14          3HD2      LEU  14   4.377   8.511  -1.054
   74    H    LYS  15           H        LYS  15   4.227   5.573   3.852
   75    HA   LYS  15           HA       LYS  15   5.519   6.073   6.248
   76    HB3  LYS  15           2HB      LYS  15   5.385   8.428   5.799
   77    HG3  LYS  15           2HG      LYS  15   2.739   7.700   4.732
   78    HD3  LYS  15           2HD      LYS  15   2.173  10.291   5.569
   79    HE3  LYS  15           2HE      LYS  15   1.270   7.864   7.160
   80    HZ1  LYS  15           1HZ      LYS  15   0.403  10.207   7.536
   81    HZ2  LYS  15           2HZ      LYS  15  -0.305  10.125   6.072
   82    H    GLU  16           H        GLU  16   4.711   4.103   6.897
   83    HA   GLU  16           HA       GLU  16   2.838   2.605   6.597
   84    HB3  GLU  16           2HB      GLU  16   2.073   2.719   9.121
   85    HG3  GLU  16           2HG      GLU  16   5.013   2.428   8.338
   86    HE2  GLU  16           HE       GLU  16   6.049   1.867  11.054
   87    H    GLY  17           H        GLY  17   1.394   3.730   5.025
   88    HA2  GLY  17           1HA      GLY  17  -1.157   4.251   6.175
   89    HA3  GLY  17           2HA      GLY  17  -0.398   5.738   5.643
   90    H    THR  18           H        THR  18   1.042   4.935   3.364
   91    HA   THR  18           HA       THR  18  -0.638   5.179   1.317
   92    HB   THR  18           HB       THR  18   1.293   3.280   0.440
   93    HG1  THR  18           HG1      THR  18   2.617   3.307   2.219
   94   HG21  THR  18          1HG2      THR  18   2.414   5.970   0.704
   95   HG22  THR  18          2HG2      THR  18   1.952   5.099  -0.778
   96   HG23  THR  18          3HG2      THR  18   0.739   6.056   0.107
   97    H    ILE  19           H        ILE  19  -2.085   4.055   0.087
   98    HA   ILE  19           HA       ILE  19  -2.636   1.330   1.039
   99    HB   ILE  19           HB       ILE  19  -4.607   2.141   1.618
  100   HG13  ILE  19          2HG1      ILE  19  -5.883   1.248   0.026
  101   HG21  ILE  19          1HG2      ILE  19  -5.405   4.434   0.544
  102   HG22  ILE  19          2HG2      ILE  19  -4.207   4.372   1.859
  103   HG23  ILE  19          3HG2      ILE  19  -3.670   4.578   0.175
  104   HD11  ILE  19          1HD1      ILE  19  -6.792   3.557  -0.075
  105   HD12  ILE  19          2HD1      ILE  19  -5.593   3.973  -1.323
  106   HD13  ILE  19          3HD1      ILE  19  -6.861   2.772  -1.672
  107    H    CYS  20           H        CYS  20  -2.219  -0.235  -0.419
  108    HA   CYS  20           HA       CYS  20  -1.038  -0.181  -2.677
  109    HB3  CYS  20           2HB      CYS  20  -3.398  -1.808  -1.870
  110    H    LYS  21           H        LYS  21  -4.626  -0.347  -3.122
  111    HA   LYS  21           HA       LYS  21  -4.625   2.090  -4.654
  112    HB3  LYS  21           2HB      LYS  21  -5.664   0.762  -6.640
  113    HG3  LYS  21           2HG      LYS  21  -2.677   0.736  -5.999
  114    HD3  LYS  21           2HD      LYS  21  -3.593  -0.782  -7.950
  115    HE3  LYS  21           2HE      LYS  21  -5.073   1.219  -8.763
  116    HZ1  LYS  21           1HZ      LYS  21  -3.775   2.575 -10.408
  117    HZ2  LYS  21           2HZ      LYS  21  -3.405   2.918  -8.861
  118    H    ARG  22           H        ARG  22  -6.212   2.976  -3.376
  119    HA   ARG  22           HA       ARG  22  -8.180   1.695  -2.102
  120    HB3  ARG  22           2HB      ARG  22  -7.867   4.453  -3.245
  121    HG3  ARG  22           2HG      ARG  22 -10.334   3.625  -3.625
  122    HD3  ARG  22           2HD      ARG  22 -10.755   2.531  -1.496
  123    HE   ARG  22           HE       ARG  22  -9.168   3.671  -0.009
  124   HH11  ARG  22          2HH2      ARG  22 -12.200   5.410  -0.588
  125   HH12  ARG  22          1HH2      ARG  22 -12.047   6.399   0.826
  126   HH22  ARG  22          1HH       ARG  22 -10.137   6.126   2.249
  127    H    ALA  23           H        ALA  23  -9.090  -0.062  -3.327
  128    HA   ALA  23           HA       ALA  23 -10.164   0.321  -5.912
  129    HB1  ALA  23           1HB      ALA  23 -10.786  -1.848  -3.870
  130    HB2  ALA  23           2HB      ALA  23 -10.970  -1.947  -5.638
  131    HB3  ALA  23           3HB      ALA  23  -9.346  -1.842  -4.918
  132    H    ARG  24           H        ARG  24 -12.074  -0.811  -3.065
  133    HA   ARG  24           HA       ARG  24 -14.459  -0.416  -3.568
  134    HB3  ARG  24           2HB      ARG  24 -13.205  -0.274  -1.202
  135    HG3  ARG  24           2HG      ARG  24 -14.264   2.558  -1.651
  136    HD3  ARG  24           2HD      ARG  24 -14.555   1.221   0.687
  137    HE   ARG  24           HE       ARG  24 -11.760   1.324   0.514
  138   HH11  ARG  24          2HH2      ARG  24 -14.206   2.562   2.758
  139   HH12  ARG  24          1HH2      ARG  24 -13.151   2.512   4.130
  140   HH22  ARG  24          1HH       ARG  24 -10.899   1.741   3.853
  141    H    GLY  25           H        GLY  25 -12.262   2.442  -3.316
  142    HA2  GLY  25           1HA      GLY  25 -14.330   4.046  -4.699
  143    HA3  GLY  25           2HA      GLY  25 -13.309   4.685  -3.426
  144    H    ASP  26           H        ASP  26 -11.279   5.495  -3.922
  145    HA   ASP  26           HA       ASP  26 -10.404   4.996  -6.659
  146    HB3  ASP  26           2HB      ASP  26  -9.537   7.485  -5.215
  147    HD2  ASP  26           HD       ASP  26 -11.562   7.877  -7.972
  148    H    ASP  27           H        ASP  27  -8.521   3.761  -6.571
  149    HA   ASP  27           HA       ASP  27  -7.166   2.996  -4.459
  150    HB3  ASP  27           2HB      ASP  27  -6.782   2.538  -7.008
  151    HD2  ASP  27           HD       ASP  27  -6.128   3.959  -8.878
  152    H    MET  28           H        MET  28  -5.278   3.735  -3.231
  153    HA   MET  28           HA       MET  28  -4.913   6.617  -3.426
  154    HB3  MET  28           2HB      MET  28  -3.994   6.275  -1.028
  155    HG3  MET  28           2HG      MET  28  -6.258   5.886  -0.019
  156    HE1  MET  28           1HE      MET  28  -6.149   9.590  -0.134
  157    HE2  MET  28           2HE      MET  28  -6.966   8.248   0.704
  158    HE3  MET  28           3HE      MET  28  -5.210   8.182   0.420
  159    H    ASP  29           H        ASP  29  -2.759   4.323  -1.719
  160    HA   ASP  29           HA       ASP  29  -0.779   4.739  -3.797
  161    HB3  ASP  29           2HB      ASP  29   0.951   5.221  -2.090
  162    HD2  ASP  29           HD       ASP  29  -0.765   8.285  -3.112
  163    H    ASP  30           H        ASP  30   0.798   3.599  -1.068
  164    HA   ASP  30           HA       ASP  30  -0.233   0.979  -0.947
  165    HB3  ASP  30           2HB      ASP  30   0.867   0.437  -2.951
  166    HD2  ASP  30           HD       ASP  30   3.558   0.224  -3.398
  167    H    TYR  31           H        TYR  31   0.090   0.666   1.262
  168    HA   TYR  31           HA       TYR  31   2.555   1.761   2.426
  169    HB3  TYR  31           2HB      TYR  31  -0.240   1.898   3.031
  170    HD1  TYR  31           HD2      TYR  31  -1.120  -0.450   3.324
  171    HD2  TYR  31           HD1      TYR  31   1.641   1.315   6.074
  172    HE1  TYR  31           HE2      TYR  31  -1.729  -2.197   5.067
  173    HE2  TYR  31           HE1      TYR  31   1.023  -0.438   7.808
  174    HH   TYR  31           HH       TYR  31  -1.597  -2.711   7.219
  175    H    CYS  32           H        CYS  32   3.620   0.483   4.134
  176    HA   CYS  32           HA       CYS  32   3.913  -2.196   3.317
  177    HB3  CYS  32           2HB      CYS  32   5.843  -1.223   4.155
  178    H    ASN  33           H        ASN  33   2.541  -3.865   3.827
  179    HA   ASN  33           HA       ASN  33   0.790  -3.462   6.096
  180    HB3  ASN  33           2HB      ASN  33  -0.224  -4.097   3.895
  181   HD21  ASN  33          1HD2      ASN  33  -0.923  -6.367   2.898
  182   HD22  ASN  33          2HD2      ASN  33   0.389  -7.299   2.257
  183    H    GLY  34           H        GLY  34   3.685  -4.150   6.388
  184    HA2  GLY  34           1HA      GLY  34   5.011  -5.554   7.535
  185    HA3  GLY  34           2HA      GLY  34   3.561  -6.147   8.319
  186    H    LYS  35           H        LYS  35   3.379  -6.438   4.881
  187    HA   LYS  35           HA       LYS  35   4.310  -9.218   5.058
  188    HB3  LYS  35           2HB      LYS  35   2.195  -8.803   3.103
  189    HG3  LYS  35           2HG      LYS  35   3.216 -10.816   4.861
  190    HD3  LYS  35           2HD      LYS  35   0.831  -9.647   5.947
  191    HE3  LYS  35           2HE      LYS  35   0.440 -12.377   4.643
  192    HZ1  LYS  35           1HZ      LYS  35  -1.401 -11.102   6.578
  193    HZ2  LYS  35           2HZ      LYS  35  -1.454 -12.628   6.013
  194    H    THR  36           H        THR  36   3.908  -6.213   3.160
  195    HA   THR  36           HA       THR  36   6.313  -6.618   1.778
  196    HB   THR  36           HB       THR  36   4.829  -8.403   0.684
  197    HG1  THR  36           HG1      THR  36   5.677  -7.684  -1.365
  198   HG21  THR  36          1HG2      THR  36   3.214  -5.930   0.170
  199   HG22  THR  36          2HG2      THR  36   3.478  -6.988  -1.237
  200   HG23  THR  36          3HG2      THR  36   2.689  -7.630   0.223
  201    H    CYS  37           H        CYS  37   6.405  -4.989  -0.194
  202    HA   CYS  37           HA       CYS  37   4.904  -2.625   0.671
  203    HB3  CYS  37           2HB      CYS  37   7.355  -2.623   1.260
  204    H    ASP  38           H        ASP  38   3.630  -4.188  -1.123
  205    HA   ASP  38           HA       ASP  38   4.203  -2.852  -3.646
  206    HB3  ASP  38           2HB      ASP  38   3.014  -5.143  -4.507
  207    HD2  ASP  38           HD       ASP  38   5.982  -3.514  -4.960
  208    H    CYS  39           H        CYS  39   2.487  -1.406  -2.435
  209    HA   CYS  39           HA       CYS  39   0.441  -0.600  -2.435
  210    HB3  CYS  39           2HB      CYS  39   0.419  -1.904  -4.751
  211    HA   PRO  40           HA       PRO  40  -0.494  -4.123   0.516
  212    HB3  PRO  40           2HB      PRO  40   1.517  -4.858   1.363
  213    HG3  PRO  40           2HG      PRO  40   3.335  -3.559   0.791
  214    HD3  PRO  40           2HD      PRO  40   2.551  -2.586  -1.139
  215    H    ARG  41           H        ARG  41  -1.982  -1.996  -0.021
  216    HA   ARG  41           HA       ARG  41  -3.114  -1.540   2.477
  217    HB3  ARG  41           2HB      ARG  41  -1.678   0.861   1.234
  218    HG3  ARG  41           2HG      ARG  41  -4.030   0.838   2.766
  219    HD3  ARG  41           2HD      ARG  41  -1.632   1.528   4.535
  220    HE   ARG  41           HE       ARG  41  -3.484   2.994   5.114
  221   HH11  ARG  41          2HH2      ARG  41  -4.213  -0.452   5.498
  222   HH12  ARG  41          1HH2      ARG  41  -5.569  -0.177   6.541
  223   HH22  ARG  41          1HH       ARG  41  -6.174   2.071   7.109
  224    H    ASN  42           H        ASN  42  -5.101  -2.049   1.498
  225    HA   ASN  42           HA       ASN  42  -6.457  -0.042   0.209
  226    HB3  ASN  42           2HB      ASN  42  -5.301  -0.367  -1.849
  227   HD21  ASN  42          1HD2      ASN  42  -4.284  -2.307   0.179
  228   HD22  ASN  42          2HD2      ASN  42  -3.653  -3.653  -0.712
  229    HA   PRO  43           HA       PRO  43  -8.571  -3.850   1.773
  230    HB3  PRO  43           2HB      PRO  43  -8.072  -3.783   4.020
  231    HG3  PRO  43           2HG      PRO  43  -7.029  -1.847   4.717
  232    HD3  PRO  43           2HD      PRO  43  -6.086  -1.156   2.738
  233    H    HIS  44           H        HIS  44  -9.298  -1.847  -0.144
  234    HA   HIS  44           HA       HIS  44 -11.983  -1.154   0.647
  235    HB3  HIS  44           2HB      HIS  44 -11.967   0.344  -1.077
  236    HD1  HIS  44           HD1      HIS  44  -9.204  -0.558   0.978
  237    HD2  HIS  44           HD2      HIS  44  -9.693   2.072  -2.252
  238    HE1  HIS  44           HE1      HIS  44  -7.268   1.099   1.106
  239    H    LYS  45           H        LYS  45 -12.522  -1.476  -2.483
  240    HA   LYS  45           HA       LYS  45 -14.311  -3.351  -2.570
  241    HB3  LYS  45           2HB      LYS  45 -13.449  -3.950  -4.914
  242    HG3  LYS  45           2HG      LYS  45 -13.437  -1.028  -4.953
  243    HD3  LYS  45           2HD      LYS  45 -14.981  -3.317  -6.028
  244    HE3  LYS  45           2HE      LYS  45 -16.373  -0.923  -4.910
  245    HZ1  LYS  45           1HZ      LYS  45 -17.375  -0.307  -6.811
  246    HZ2  LYS  45           2HZ      LYS  45 -16.287  -1.177  -7.655
  247    H    GLY  46           H        GLY  46 -11.197  -4.601  -3.849
  248    HA2  GLY  46           1HA      GLY  46 -11.324  -6.818  -1.920
  249    HA3  GLY  46           2HA      GLY  46 -11.363  -7.167  -3.637
  250    HA   PRO  47           HA       PRO  47  -7.138  -5.312  -3.477
  251    HB3  PRO  47           2HB      PRO  47  -7.183  -3.033  -3.803
  252    HG3  PRO  47           2HG      PRO  47  -9.087  -1.986  -3.030
  253    HD3  PRO  47           2HD      PRO  47 -10.567  -3.745  -3.075
  254    H    ALA  48           H        ALA  48  -5.266  -4.196  -1.688
  255    HA   ALA  48           HA       ALA  48  -4.656  -4.502   0.571
  256    HB1  ALA  48           1HB      ALA  48  -6.790  -5.748   1.061
  257    HB2  ALA  48           2HB      ALA  48  -6.041  -7.203   0.359
  258    HB3  ALA  48           3HB      ALA  48  -5.345  -6.460   1.818
  259    H    THR  49           H        THR  49  -2.493  -4.861   0.624
  260    HA   THR  49           HA       THR  49  -1.431  -7.309  -0.488
  261    HB   THR  49           HB       THR  49  -0.741  -4.548  -1.624
  262    HG1  THR  49           HG1      THR  49  -2.031  -7.025  -2.509
  263   HG21  THR  49          1HG2      THR  49   1.303  -5.746  -1.822
  264   HG22  THR  49          2HG2      THR  49   0.474  -7.316  -1.952
  265   HG23  THR  49          3HG2      THR  49   0.459  -6.183  -3.326
  Start of MODEL    4
    1    H2   GLU   1           1H       GLU   1   8.164  -2.585  -5.351
    2    HA   GLU   1           HA       GLU   1   7.693  -3.697  -2.709
    3    HB3  GLU   1           2HB      GLU   1   6.305  -5.116  -3.990
    4    HG3  GLU   1           2HG      GLU   1   8.105  -4.353  -6.158
    5    HE2  GLU   1           HE       GLU   1   7.500  -8.234  -6.829
    6    H    CYS   2           H        CYS   2   9.769  -2.685  -2.193
    7    HA   CYS   2           HA       CYS   2  12.074  -2.719  -3.452
    8    HB3  CYS   2           2HB      CYS   2  12.179  -3.741  -0.648
    9    H    GLU   3           H        GLU   3  11.311  -5.451  -1.165
   10    HA   GLU   3           HA       GLU   3  12.070  -7.330  -3.188
   11    HB3  GLU   3           2HB      GLU   3  13.650  -8.337  -1.201
   12    HG3  GLU   3           2HG      GLU   3  14.046  -6.870  -3.705
   13    HE2  GLU   3           HE       GLU   3  16.831  -7.606  -3.286
   14    H    SER   4           H        SER   4   9.600  -6.699  -1.819
   15    HA   SER   4           HA       SER   4   7.930  -7.999  -1.167
   16    HB3  SER   4           2HB      SER   4   9.594 -10.084   0.202
   17    HG   SER   4           HG       SER   4   7.935 -11.365  -0.392
   18    H    GLY   5           H        GLY   5   9.216  -5.844   0.260
   19    HA2  GLY   5           1HA      GLY   5   8.641  -6.651   3.048
   20    HA3  GLY   5           2HA      GLY   5   9.986  -5.610   2.625
   21    HA   PRO   6           HA       PRO   6   5.836  -3.323   2.677
   22    HB3  PRO   6           2HB      PRO   6   4.247  -4.422   3.930
   23    HG3  PRO   6           2HG      PRO   6   5.055  -6.182   5.181
   24    HD3  PRO   6           2HD      PRO   6   6.940  -6.709   3.975
   25    H    CYS   7           H        CYS   7   5.685  -1.117   3.012
   26    HA   CYS   7           HA       CYS   7   6.169   0.769   4.195
   27    HB3  CYS   7           2HB      CYS   7   8.007   0.929   5.796
   28    H    CYS   8           H        CYS   8   6.539   0.577   1.611
   29    HA   CYS   8           HA       CYS   8   8.733   2.150   1.034
   30    HB3  CYS   8           2HB      CYS   8  10.370   0.606   1.126
   31    H    ARG   9           H        ARG   9   6.982   3.236  -0.046
   32    HA   ARG   9           HA       ARG   9   5.079   2.232  -1.575
   33    HB3  ARG   9           2HB      ARG   9   4.744   4.432  -2.086
   34    HG3  ARG   9           2HG      ARG   9   6.220   4.552   0.059
   35    HD3  ARG   9           2HD      ARG   9   8.191   5.499  -2.078
   36    HE   ARG   9           HE       ARG   9   8.107   6.055   0.845
   37   HH11  ARG   9          2HH2      ARG   9   9.861   6.295  -2.223
   38   HH12  ARG   9          1HH2      ARG   9  10.969   7.491  -1.640
   39   HH22  ARG   9          1HH       ARG   9  10.778   8.264   0.620
   40    H    ASN  10           H        ASN  10   8.529   2.237  -2.279
   41    HA   ASN  10           HA       ASN  10   7.950   0.792  -4.709
   42    HB3  ASN  10           2HB      ASN  10   8.393   3.205  -5.356
   43   HD21  ASN  10          1HD2      ASN  10   8.963   4.444  -3.514
   44   HD22  ASN  10          2HD2      ASN  10  10.613   4.831  -3.155
   45    H    CYS  11           H        CYS  11  10.406   2.135  -2.396
   46    HA   CYS  11           HA       CYS  11  11.421  -0.328  -1.685
   47    HB3  CYS  11           2HB      CYS  11  13.204   1.048  -3.703
   48    H    LYS  12           H        LYS  12  10.564   1.910  -0.311
   49    HA   LYS  12           HA       LYS  12  13.001   2.710   1.009
   50    HB3  LYS  12           2HB      LYS  12  11.193   4.972   0.259
   51    HG3  LYS  12           2HG      LYS  12  13.200   5.098   1.871
   52    HD3  LYS  12           2HD      LYS  12  14.552   3.636   0.034
   53    HE3  LYS  12           2HE      LYS  12  15.053   6.562  -0.672
   54    HZ1  LYS  12           1HZ      LYS  12  17.146   5.964  -1.160
   55    HZ2  LYS  12           2HZ      LYS  12  16.918   4.478  -0.536
   56    H    PHE  13           H        PHE  13   9.843   4.389   1.130
   57    HA   PHE  13           HA       PHE  13   8.492   2.863   2.913
   58    HB3  PHE  13           2HB      PHE  13  10.051   4.985   4.452
   59    HD1  PHE  13           HD1      PHE  13   7.220   3.853   4.808
   60    HD2  PHE  13           HD2      PHE  13  10.984   2.697   6.388
   61    HE1  PHE  13           HE1      PHE  13   6.076   2.870   6.813
   62    HE2  PHE  13           HE2      PHE  13   9.841   1.713   8.393
   63    HZ   PHE  13           HZ       PHE  13   7.401   1.812   8.582
   64    H    LEU  14           H        LEU  14   6.678   3.796   1.966
   65    HA   LEU  14           HA       LEU  14   6.275   6.353   1.238
   66    HB3  LEU  14           2HB      LEU  14   4.492   5.181   0.622
   67    HG   LEU  14           HG       LEU  14   3.311   3.518   2.263
   68   HD11  LEU  14          1HD1      LEU  14   5.879   2.373   1.310
   69   HD12  LEU  14          2HD1      LEU  14   4.204   1.839   1.037
   70   HD13  LEU  14          3HD1      LEU  14   4.869   3.198   0.100
   71   HD21  LEU  14          1HD2      LEU  14   4.277   3.072   4.207
   72   HD22  LEU  14          2HD2      LEU  14   5.799   2.641   3.391
   73   HD23  LEU  14          3HD2      LEU  14   5.493   4.328   3.871
   74    H    LYS  15           H        LYS  15   4.214   5.657   4.003
   75    HA   LYS  15           HA       LYS  15   5.644   7.058   5.950
   76    HB3  LYS  15           2HB      LYS  15   5.360   8.996   4.494
   77    HG3  LYS  15           2HG      LYS  15   2.373   8.437   4.817
   78    HD3  LYS  15           2HD      LYS  15   3.775  10.905   4.441
   79    HE3  LYS  15           2HE      LYS  15   3.344   9.674   1.921
   80    HZ1  LYS  15           1HZ      LYS  15   0.947  10.683   2.607
   81    HZ2  LYS  15           2HZ      LYS  15   1.600  11.987   1.881
   82    H    GLU  16           H        GLU  16   3.988   4.651   5.433
   83    HA   GLU  16           HA       GLU  16   2.379   3.492   6.329
   84    HB3  GLU  16           2HB      GLU  16   1.872   3.984   8.792
   85    HG3  GLU  16           2HG      GLU  16   4.781   3.860   7.866
   86    HE2  GLU  16           HE       GLU  16   3.985   2.687  11.606
   87    H    GLY  17           H        GLY  17   0.403   3.618   5.346
   88    HA2  GLY  17           1HA      GLY  17  -1.890   4.338   5.884
   89    HA3  GLY  17           2HA      GLY  17  -1.271   5.974   5.987
   90    H    THR  18           H        THR  18   0.377   4.128   3.577
   91    HA   THR  18           HA       THR  18  -1.022   5.621   1.504
   92    HB   THR  18           HB       THR  18   1.195   3.924   0.633
   93    HG1  THR  18           HG1      THR  18   1.993   4.038   2.764
   94   HG21  THR  18          1HG2      THR  18   0.298   6.690   0.434
   95   HG22  THR  18          2HG2      THR  18   2.007   6.655   0.934
   96   HG23  THR  18          3HG2      THR  18   1.502   5.843  -0.568
   97    H    ILE  19           H        ILE  19  -3.035   4.318   1.915
   98    HA   ILE  19           HA       ILE  19  -3.256   1.638   1.542
   99    HB   ILE  19           HB       ILE  19  -5.231   2.517   2.126
  100   HG13  ILE  19          2HG1      ILE  19  -6.532   1.595   0.582
  101   HG21  ILE  19          1HG2      ILE  19  -6.088   4.688   0.855
  102   HG22  ILE  19          2HG2      ILE  19  -4.954   4.776   2.225
  103   HG23  ILE  19          3HG2      ILE  19  -4.347   4.893   0.556
  104   HD11  ILE  19          1HD1      ILE  19  -5.847   4.051  -1.094
  105   HD12  ILE  19          2HD1      ILE  19  -7.073   2.844  -1.548
  106   HD13  ILE  19          3HD1      ILE  19  -7.287   3.819  -0.075
  107    H    CYS  20           H        CYS  20  -3.338   0.190  -0.179
  108    HA   CYS  20           HA       CYS  20  -1.797   0.796  -2.389
  109    HB3  CYS  20           2HB      CYS  20  -3.634  -1.438  -1.646
  110    H    LYS  21           H        LYS  21  -5.019  -0.539  -3.092
  111    HA   LYS  21           HA       LYS  21  -5.578   1.869  -4.683
  112    HB3  LYS  21           2HB      LYS  21  -6.742   0.379  -6.267
  113    HG3  LYS  21           2HG      LYS  21  -4.168  -1.042  -6.153
  114    HD3  LYS  21           2HD      LYS  21  -5.503   0.985  -7.989
  115    HE3  LYS  21           2HE      LYS  21  -2.824   0.997  -7.801
  116    HZ1  LYS  21           1HZ      LYS  21  -3.473  -1.433  -9.360
  117    HZ2  LYS  21           2HZ      LYS  21  -2.091  -0.614  -9.624
  118    H    ARG  22           H        ARG  22  -7.463   2.933  -4.280
  119    HA   ARG  22           HA       ARG  22  -8.909   2.180  -2.020
  120    HB3  ARG  22           2HB      ARG  22  -9.583   4.187  -4.231
  121    HG3  ARG  22           2HG      ARG  22 -11.614   4.095  -3.099
  122    HD3  ARG  22           2HD      ARG  22 -10.887   2.236  -1.559
  123    HE   ARG  22           HE       ARG  22  -9.007   2.996  -0.318
  124   HH11  ARG  22          2HH2      ARG  22 -11.824   5.062   0.281
  125   HH12  ARG  22          1HH2      ARG  22 -11.113   5.844   1.654
  126   HH22  ARG  22          1HH       ARG  22  -8.905   5.222   2.347
  127    H    ALA  23           H        ALA  23  -9.201  -0.142  -3.157
  128    HA   ALA  23           HA       ALA  23 -10.748  -0.806  -5.175
  129    HB1  ALA  23           1HB      ALA  23 -10.184  -1.887  -2.537
  130    HB2  ALA  23           2HB      ALA  23 -11.828  -2.328  -3.058
  131    HB3  ALA  23           3HB      ALA  23 -10.429  -2.742  -4.078
  132    H    ARG  24           H        ARG  24 -12.167   0.105  -1.948
  133    HA   ARG  24           HA       ARG  24 -14.734  -0.027  -2.480
  134    HB3  ARG  24           2HB      ARG  24 -14.785   2.340  -1.137
  135    HG3  ARG  24           2HG      ARG  24 -13.925  -0.410  -0.164
  136    HD3  ARG  24           2HD      ARG  24 -14.455   0.450   2.154
  137    HE   ARG  24           HE       ARG  24 -12.077   1.409   0.656
  138   HH11  ARG  24          2HH2      ARG  24 -13.573   0.749   3.800
  139   HH12  ARG  24          1HH2      ARG  24 -12.067   0.752   4.656
  140   HH22  ARG  24          1HH       ARG  24 -10.032   1.144   3.451
  141    H    GLY  25           H        GLY  25 -12.437   2.179  -3.989
  142    HA2  GLY  25           1HA      GLY  25 -14.586   3.224  -5.691
  143    HA3  GLY  25           2HA      GLY  25 -13.576   4.368  -4.829
  144    H    ASP  26           H        ASP  26 -11.030   3.276  -4.919
  145    HA   ASP  26           HA       ASP  26 -10.452   2.322  -7.515
  146    HB3  ASP  26           2HB      ASP  26  -9.061   4.922  -7.013
  147    HD2  ASP  26           HD       ASP  26 -10.225   3.097 -10.292
  148    H    ASP  27           H        ASP  27  -8.199   4.645  -6.117
  149    HA   ASP  27           HA       ASP  27  -7.085   2.836  -4.240
  150    HB3  ASP  27           2HB      ASP  27  -6.252   2.156  -6.646
  151    HD2  ASP  27           HD       ASP  27  -3.511   3.436  -5.553
  152    H    MET  28           H        MET  28  -5.351   3.950  -2.980
  153    HA   MET  28           HA       MET  28  -5.438   6.824  -3.439
  154    HB3  MET  28           2HB      MET  28  -4.782   6.927  -0.983
  155    HG3  MET  28           2HG      MET  28  -6.934   5.909  -0.078
  156    HE1  MET  28           1HE      MET  28  -7.900   6.317  -3.626
  157    HE2  MET  28           2HE      MET  28  -9.362   6.571  -2.644
  158    HE3  MET  28           3HE      MET  28  -8.733   7.889  -3.661
  159    H    ASP  29           H        ASP  29  -3.149   4.521  -1.794
  160    HA   ASP  29           HA       ASP  29  -1.079   5.461  -3.568
  161    HB3  ASP  29           2HB      ASP  29   0.430   6.094  -1.793
  162    HD2  ASP  29           HD       ASP  29   0.386   8.100  -1.844
  163    H    ASP  30           H        ASP  30   0.710   4.257  -1.160
  164    HA   ASP  30           HA       ASP  30  -0.109   1.533  -1.184
  165    HB3  ASP  30           2HB      ASP  30   1.013   1.196  -3.192
  166    HD2  ASP  30           HD       ASP  30   2.900   2.210  -4.892
  167    H    TYR  31           H        TYR  31   0.280   1.070   0.988
  168    HA   TYR  31           HA       TYR  31   2.747   2.169   2.160
  169    HB3  TYR  31           2HB      TYR  31  -0.002   2.506   2.803
  170    HD1  TYR  31           HD2      TYR  31  -0.814  -0.002   2.863
  171    HD2  TYR  31           HD1      TYR  31   1.502   1.857   5.944
  172    HE1  TYR  31           HE2      TYR  31  -1.601  -1.757   4.525
  173    HE2  TYR  31           HE1      TYR  31   0.708   0.094   7.595
  174    HH   TYR  31           HH       TYR  31  -1.767  -2.226   6.702
  175    H    CYS  32           H        CYS  32   3.276   0.809   4.296
  176    HA   CYS  32           HA       CYS  32   3.708  -1.849   3.328
  177    HB3  CYS  32           2HB      CYS  32   5.564  -0.944   4.397
  178    H    ASN  33           H        ASN  33   2.164  -3.425   3.586
  179    HA   ASN  33           HA       ASN  33   0.225  -3.032   5.692
  180    HB3  ASN  33           2HB      ASN  33  -0.570  -3.548   3.368
  181   HD21  ASN  33          1HD2      ASN  33  -1.327  -5.999   2.500
  182   HD22  ASN  33          2HD2      ASN  33   0.019  -6.898   1.882
  183    H    GLY  34           H        GLY  34   3.159  -4.011   5.962
  184    HA2  GLY  34           1HA      GLY  34   4.232  -5.446   7.332
  185    HA3  GLY  34           2HA      GLY  34   2.684  -6.064   7.870
  186    H    LYS  35           H        LYS  35   2.967  -6.088   4.424
  187    HA   LYS  35           HA       LYS  35   3.984  -8.833   4.459
  188    HB3  LYS  35           2HB      LYS  35   1.499  -7.953   2.961
  189    HG3  LYS  35           2HG      LYS  35   2.754 -10.698   3.438
  190    HD3  LYS  35           2HD      LYS  35   0.321  -9.807   1.818
  191    HE3  LYS  35           2HE      LYS  35   1.873 -11.715   0.887
  192    HZ1  LYS  35           1HZ      LYS  35   0.779 -13.814   2.154
  193    HZ2  LYS  35           2HZ      LYS  35   2.258 -13.234   2.515
  194    H    THR  36           H        THR  36   3.075  -5.917   2.520
  195    HA   THR  36           HA       THR  36   5.566  -6.228   1.053
  196    HB   THR  36           HB       THR  36   2.991  -5.863  -0.514
  197    HG1  THR  36           HG1      THR  36   4.363  -8.366   0.140
  198   HG21  THR  36          1HG2      THR  36   4.596  -5.859  -2.162
  199   HG22  THR  36          2HG2      THR  36   5.848  -6.460  -1.048
  200   HG23  THR  36          3HG2      THR  36   4.735  -7.603  -1.836
  201    H    CYS  37           H        CYS  37   5.541  -4.261  -0.701
  202    HA   CYS  37           HA       CYS  37   4.420  -1.940   0.656
  203    HB3  CYS  37           2HB      CYS  37   6.724  -2.220   1.485
  204    H    ASP  38           H        ASP  38   3.143  -2.946  -1.474
  205    HA   ASP  38           HA       ASP  38   3.992  -1.168  -3.600
  206    HB3  ASP  38           2HB      ASP  38   2.943  -3.973  -4.152
  207    HD2  ASP  38           HD       ASP  38   4.966  -1.440  -6.202
  208    H    CYS  39           H        CYS  39   2.032  -0.474  -1.799
  209    HA   CYS  39           HA       CYS  39  -0.006   0.473  -2.112
  210    HB3  CYS  39           2HB      CYS  39   0.093  -0.479  -4.548
  211    HA   PRO  40           HA       PRO  40  -0.920  -3.474   0.300
  212    HB3  PRO  40           2HB      PRO  40   1.065  -4.486   0.883
  213    HG3  PRO  40           2HG      PRO  40   2.950  -3.234   0.438
  214    HD3  PRO  40           2HD      PRO  40   2.154  -1.879  -1.240
  215    H    ARG  41           H        ARG  41  -2.536  -1.577   0.327
  216    HA   ARG  41           HA       ARG  41  -3.198  -1.304   3.017
  217    HB3  ARG  41           2HB      ARG  41  -2.236   1.258   1.644
  218    HG3  ARG  41           2HG      ARG  41  -3.660   0.674   4.252
  219    HD3  ARG  41           2HD      ARG  41  -2.536   3.378   4.102
  220    HE   ARG  41           HE       ARG  41  -1.867   1.583   6.325
  221   HH11  ARG  41          2HH2      ARG  41  -4.388   3.634   4.912
  222   HH12  ARG  41          1HH2      ARG  41  -5.229   3.846   6.411
  223   HH22  ARG  41          1HH       ARG  41  -4.382   2.795   8.392
  224    H    ASN  42           H        ASN  42  -4.362  -2.198   0.500
  225    HA   ASN  42           HA       ASN  42  -6.379  -0.135   0.093
  226    HB3  ASN  42           2HB      ASN  42  -5.553  -0.560  -2.065
  227   HD21  ASN  42          1HD2      ASN  42  -4.367  -2.441   0.167
  228   HD22  ASN  42          2HD2      ASN  42  -3.533  -3.661  -0.736
  229    HA   PRO  43           HA       PRO  43  -8.230  -3.833   2.165
  230    HB3  PRO  43           2HB      PRO  43  -7.516  -3.563   4.338
  231    HG3  PRO  43           2HG      PRO  43  -6.465  -1.555   4.764
  232    HD3  PRO  43           2HD      PRO  43  -5.738  -1.018   2.650
  233    H    HIS  44           H        HIS  44  -9.282  -2.456   0.079
  234    HA   HIS  44           HA       HIS  44 -11.928  -1.765   1.121
  235    HB3  HIS  44           2HB      HIS  44 -12.044  -0.082  -0.352
  236    HD1  HIS  44           HD1      HIS  44  -9.462  -0.334   1.540
  237    HD2  HIS  44           HD2      HIS  44  -9.495   0.822  -2.492
  238    HE1  HIS  44           HE1      HIS  44  -7.342   1.037   1.172
  239    H    LYS  45           H        LYS  45 -12.997  -1.969  -1.707
  240    HA   LYS  45           HA       LYS  45 -14.461  -3.939  -1.963
  241    HB3  LYS  45           2HB      LYS  45 -13.751  -4.448  -4.294
  242    HG3  LYS  45           2HG      LYS  45 -13.572  -1.880  -4.947
  243    HD3  LYS  45           2HD      LYS  45 -15.997  -2.780  -3.334
  244    HE3  LYS  45           2HE      LYS  45 -15.707  -1.105  -5.876
  245    HZ1  LYS  45           1HZ      LYS  45 -17.990  -1.013  -5.872
  246    HZ2  LYS  45           2HZ      LYS  45 -17.844  -2.507  -5.241
  247    H    GLY  46           H        GLY  46 -11.069  -4.885  -2.846
  248    HA2  GLY  46           1HA      GLY  46 -10.919  -6.968  -0.931
  249    HA3  GLY  46           2HA      GLY  46 -11.443  -7.610  -2.475
  250    HA   PRO  47           HA       PRO  47  -7.326  -5.837  -3.718
  251    HB3  PRO  47           2HB      PRO  47  -7.360  -3.558  -4.048
  252    HG3  PRO  47           2HG      PRO  47  -8.902  -2.422  -2.762
  253    HD3  PRO  47           2HD      PRO  47 -10.408  -4.109  -2.345
  254    H    ALA  48           H        ALA  48  -5.805  -4.116  -1.312
  255    HA   ALA  48           HA       ALA  48  -4.572  -4.717   0.458
  256    HB1  ALA  48           1HB      ALA  48  -4.981  -6.659   1.625
  257    HB2  ALA  48           2HB      ALA  48  -6.446  -6.631   0.615
  258    HB3  ALA  48           3HB      ALA  48  -5.067  -7.656   0.153
  259    H    THR  49           H        THR  49  -2.373  -4.733   0.317
  260    HA   THR  49           HA       THR  49  -1.120  -6.630  -1.511
  261    HB   THR  49           HB       THR  49  -1.287  -3.640  -1.833
  262    HG1  THR  49           HG1      THR  49  -2.183  -4.824  -3.517
  263   HG21  THR  49          1HG2      THR  49   0.893  -4.320  -3.400
  264   HG22  THR  49          2HG2      THR  49   1.015  -3.442  -1.857
  265   HG23  THR  49          3HG2      THR  49   1.253  -5.205  -1.898
  Start of MODEL    5
    1    H2   GLU   1           1H       GLU   1   7.880  -2.621  -3.889
    2    HA   GLU   1           HA       GLU   1   8.226  -4.465  -2.396
    3    HB3  GLU   1           2HB      GLU   1   8.896  -6.232  -4.742
    4    HG3  GLU   1           2HG      GLU   1   7.976  -6.550  -1.867
    5    HE2  GLU   1           HE       GLU   1   8.638  -9.350  -1.983
    6    H    CYS   2           H        CYS   2  10.076  -3.450  -1.686
    7    HA   CYS   2           HA       CYS   2  12.153  -2.738  -3.447
    8    HB3  CYS   2           2HB      CYS   2  12.523  -2.995  -0.480
    9    H    GLU   3           H        GLU   3  11.693  -5.329  -0.944
   10    HA   GLU   3           HA       GLU   3  13.188  -7.149  -2.464
   11    HB3  GLU   3           2HB      GLU   3  14.697  -7.073   0.000
   12    HG3  GLU   3           2HG      GLU   3  16.478  -6.354  -1.914
   13    HE2  GLU   3           HE       GLU   3  17.808  -8.774  -2.144
   14    H    SER   4           H        SER   4  11.202  -6.124   0.149
   15    HA   SER   4           HA       SER   4   9.864  -8.397   0.455
   16    HB3  SER   4           2HB      SER   4  12.390  -8.469   2.102
   17    HG   SER   4           HG       SER   4  10.636  -8.560   3.662
   18    H    GLY   5           H        GLY   5  11.302  -5.494   1.810
   19    HA2  GLY   5           1HA      GLY   5   9.662  -5.253   4.121
   20    HA3  GLY   5           2HA      GLY   5  10.606  -3.996   3.345
   21    HA   PRO   6           HA       PRO   6   6.063  -3.994   1.950
   22    HB3  PRO   6           2HB      PRO   6   4.697  -5.326   3.238
   23    HG3  PRO   6           2HG      PRO   6   5.662  -6.096   5.187
   24    HD3  PRO   6           2HD      PRO   6   7.885  -5.980   4.615
   25    H    CYS   7           H        CYS   7   7.456  -2.350   4.663
   26    HA   CYS   7           HA       CYS   7   5.925   0.007   4.213
   27    HB3  CYS   7           2HB      CYS   7   7.699   0.993   5.786
   28    H    CYS   8           H        CYS   8   6.510  -0.158   1.758
   29    HA   CYS   8           HA       CYS   8   8.443   1.824   1.232
   30    HB3  CYS   8           2HB      CYS   8   9.999  -0.038   1.552
   31    H    ARG   9           H        ARG   9   6.221   2.509   0.478
   32    HA   ARG   9           HA       ARG   9   4.490   1.511  -1.069
   33    HB3  ARG   9           2HB      ARG   9   4.796   3.986  -0.637
   34    HG3  ARG   9           2HG      ARG   9   5.985   5.275  -2.469
   35    HD3  ARG   9           2HD      ARG   9   8.345   3.955  -1.634
   36    HE   ARG   9           HE       ARG   9   7.652   5.897   0.264
   37   HH11  ARG   9          2HH2      ARG   9   7.622   5.687  -3.273
   38   HH12  ARG   9          1HH2      ARG   9   7.863   7.387  -3.499
   39   HH22  ARG   9          1HH       ARG   9   8.065   8.811  -1.582
   40    H    ASN  10           H        ASN  10   7.756   2.428  -2.355
   41    HA   ASN  10           HA       ASN  10   7.205   0.618  -4.573
   42    HB3  ASN  10           2HB      ASN  10   7.405   2.494  -5.893
   43   HD21  ASN  10          1HD2      ASN  10   9.880   3.317  -3.477
   44   HD22  ASN  10          2HD2      ASN  10   9.266   4.879  -3.052
   45    H    CYS  11           H        CYS  11   9.576   2.233  -2.379
   46    HA   CYS  11           HA       CYS  11  11.009  -0.007  -1.795
   47    HB3  CYS  11           2HB      CYS  11  12.331   1.501  -4.061
   48    H    LYS  12           H        LYS  12   9.925   2.426  -0.654
   49    HA   LYS  12           HA       LYS  12  12.120   3.231   0.898
   50    HB3  LYS  12           2HB      LYS  12  12.832   4.520  -1.002
   51    HG3  LYS  12           2HG      LYS  12   9.914   5.123  -1.199
   52    HD3  LYS  12           2HD      LYS  12  11.204   7.338  -0.569
   53    HE3  LYS  12           2HE      LYS  12  11.898   7.142  -3.531
   54    HZ1  LYS  12           1HZ      LYS  12  12.773   9.021  -1.401
   55    HZ2  LYS  12           2HZ      LYS  12  13.186   9.109  -2.973
   56    H    PHE  13           H        PHE  13  10.518   2.417   2.407
   57    HA   PHE  13           HA       PHE  13   8.121   2.692   2.981
   58    HB3  PHE  13           2HB      PHE  13  10.070   4.303   4.727
   59    HD1  PHE  13           HD1      PHE  13   6.815   3.092   4.332
   60    HD2  PHE  13           HD2      PHE  13   9.908   3.398   7.221
   61    HE1  PHE  13           HE1      PHE  13   5.121   2.860   6.170
   62    HE2  PHE  13           HE2      PHE  13   8.215   3.166   9.058
   63    HZ   PHE  13           HZ       PHE  13   5.842   2.900   8.511
   64    H    LEU  14           H        LEU  14   6.416   4.004   2.551
   65    HA   LEU  14           HA       LEU  14   6.936   6.771   1.932
   66    HB3  LEU  14           2HB      LEU  14   4.282   5.346   1.961
   67    HG   LEU  14           HG       LEU  14   3.493   7.234   1.100
   68   HD11  LEU  14          1HD1      LEU  14   6.344   8.241   0.892
   69   HD12  LEU  14          2HD1      LEU  14   4.874   9.226   0.695
   70   HD13  LEU  14          3HD1      LEU  14   5.234   8.469   2.265
   71   HD21  LEU  14          1HD2      LEU  14   5.417   6.512  -1.107
   72   HD22  LEU  14          2HD2      LEU  14   3.654   6.282  -1.033
   73   HD23  LEU  14          3HD2      LEU  14   4.330   7.917  -1.224
   74    H    LYS  15           H        LYS  15   4.137   5.460   3.784
   75    HA   LYS  15           HA       LYS  15   4.899   6.441   6.269
   76    HB3  LYS  15           2HB      LYS  15   4.830   8.647   5.151
   77    HG3  LYS  15           2HG      LYS  15   1.867   8.700   5.081
   78    HD3  LYS  15           2HD      LYS  15   3.131   9.458   2.612
   79    HE3  LYS  15           2HE      LYS  15   1.129  10.534   3.669
   80    HZ1  LYS  15           1HZ      LYS  15   2.634  10.625   5.918
   81    HZ2  LYS  15           2HZ      LYS  15   2.728  12.173   5.422
   82    H    GLU  16           H        GLU  16   4.028   4.275   6.576
   83    HA   GLU  16           HA       GLU  16   2.138   2.872   6.166
   84    HB3  GLU  16           2HB      GLU  16   1.110   3.131   8.623
   85    HG3  GLU  16           2HG      GLU  16   4.056   2.488   8.124
   86    HE2  GLU  16           HE       GLU  16   3.172  -0.077   9.945
   87    H    GLY  17           H        GLY  17   0.347   3.130   4.897
   88    HA2  GLY  17           1HA      GLY  17  -2.058   3.725   5.263
   89    HA3  GLY  17           2HA      GLY  17  -1.485   5.353   5.569
   90    H    THR  18           H        THR  18   0.462   3.668   3.250
   91    HA   THR  18           HA       THR  18  -0.312   5.458   1.182
   92    HB   THR  18           HB       THR  18   1.244   3.076   0.400
   93    HG1  THR  18           HG1      THR  18   2.242   4.807   2.526
   94   HG21  THR  18          1HG2      THR  18   2.434   4.700  -0.683
   95   HG22  THR  18          2HG2      THR  18   1.273   5.891  -0.048
   96   HG23  THR  18          3HG2      THR  18   2.765   5.534   0.855
   97    H    ILE  19           H        ILE  19  -1.621   2.482   2.341
   98    HA   ILE  19           HA       ILE  19  -2.921   0.927   1.367
   99    HB   ILE  19           HB       ILE  19  -4.668   2.195   1.995
  100   HG13  ILE  19          2HG1      ILE  19  -6.062   1.511   0.407
  101   HG21  ILE  19          1HG2      ILE  19  -3.841   4.340   2.133
  102   HG22  ILE  19          2HG2      ILE  19  -3.371   4.389   0.416
  103   HG23  ILE  19          3HG2      ILE  19  -5.086   4.522   0.873
  104   HD11  ILE  19          1HD1      ILE  19  -5.070   3.994  -1.061
  105   HD12  ILE  19          2HD1      ILE  19  -6.438   2.998  -1.614
  106   HD13  ILE  19          3HD1      ILE  19  -6.531   3.850  -0.055
  107    H    CYS  20           H        CYS  20  -3.385  -0.314  -0.488
  108    HA   CYS  20           HA       CYS  20  -1.647   0.124  -2.635
  109    HB3  CYS  20           2HB      CYS  20  -3.785  -1.833  -1.964
  110    H    LYS  21           H        LYS  21  -5.139  -0.503  -3.203
  111    HA   LYS  21           HA       LYS  21  -5.261   2.023  -4.696
  112    HB3  LYS  21           2HB      LYS  21  -6.726   0.785  -6.330
  113    HG3  LYS  21           2HG      LYS  21  -3.786   0.420  -5.933
  114    HD3  LYS  21           2HD      LYS  21  -4.614  -1.885  -6.619
  115    HE3  LYS  21           2HE      LYS  21  -6.553  -0.981  -8.017
  116    HZ1  LYS  21           1HZ      LYS  21  -6.078  -0.105 -10.132
  117    HZ2  LYS  21           2HZ      LYS  21  -4.999   0.668  -9.190
  118    H    ARG  22           H        ARG  22  -6.896   3.348  -4.089
  119    HA   ARG  22           HA       ARG  22  -8.484   2.619  -1.936
  120    HB3  ARG  22           2HB      ARG  22  -8.718   4.919  -3.938
  121    HG3  ARG  22           2HG      ARG  22 -10.859   4.951  -2.970
  122    HD3  ARG  22           2HD      ARG  22 -10.394   2.971  -1.442
  123    HE   ARG  22           HE       ARG  22  -8.442   4.107  -0.219
  124   HH11  ARG  22          2HH2      ARG  22 -11.768   4.360   0.977
  125   HH12  ARG  22          1HH2      ARG  22 -11.288   4.617   2.622
  126   HH22  ARG  22          1HH       ARG  22  -8.955   4.663   3.171
  127    H    ALA  23           H        ALA  23  -9.132   0.493  -3.301
  128    HA   ALA  23           HA       ALA  23 -10.736   0.254  -5.350
  129    HB1  ALA  23           1HB      ALA  23 -10.781  -1.779  -4.389
  130    HB2  ALA  23           2HB      ALA  23 -10.445  -1.087  -2.784
  131    HB3  ALA  23           3HB      ALA  23 -12.122  -1.200  -3.371
  132    H    ARG  24           H        ARG  24 -12.288   0.823  -2.110
  133    HA   ARG  24           HA       ARG  24 -14.731   1.288  -2.694
  134    HB3  ARG  24           2HB      ARG  24 -14.564   3.440  -1.120
  135    HG3  ARG  24           2HG      ARG  24 -13.797   0.584  -0.411
  136    HD3  ARG  24           2HD      ARG  24 -14.177   1.233   1.983
  137    HE   ARG  24           HE       ARG  24 -11.868   2.329   0.477
  138   HH11  ARG  24          2HH2      ARG  24 -13.221   1.394   3.614
  139   HH12  ARG  24          1HH2      ARG  24 -11.677   1.321   4.398
  140   HH22  ARG  24          1HH       ARG  24  -9.698   1.819   3.141
  141    H    GLY  25           H        GLY  25 -12.059   3.414  -3.738
  142    HA2  GLY  25           1HA      GLY  25 -13.989   4.924  -5.392
  143    HA3  GLY  25           2HA      GLY  25 -12.720   5.729  -4.490
  144    H    ASP  26           H        ASP  26 -10.500   4.077  -4.809
  145    HA   ASP  26           HA       ASP  26 -10.196   3.181  -7.432
  146    HB3  ASP  26           2HB      ASP  26  -8.316   5.427  -7.187
  147    HD2  ASP  26           HD       ASP  26  -9.248   3.679 -10.256
  148    H    ASP  27           H        ASP  27  -7.632   5.196  -6.009
  149    HA   ASP  27           HA       ASP  27  -6.656   3.181  -4.287
  150    HB3  ASP  27           2HB      ASP  27  -6.000   2.540  -6.771
  151    HD2  ASP  27           HD       ASP  27  -2.847   4.315  -5.864
  152    H    MET  28           H        MET  28  -5.040   4.118  -2.876
  153    HA   MET  28           HA       MET  28  -4.733   6.968  -3.259
  154    HB3  MET  28           2HB      MET  28  -4.012   6.904  -0.849
  155    HG3  MET  28           2HG      MET  28  -6.129   5.869   0.122
  156    HE1  MET  28           1HE      MET  28  -6.210   7.867   0.965
  157    HE2  MET  28           2HE      MET  28  -5.378   9.105  -0.007
  158    HE3  MET  28           3HE      MET  28  -7.116   9.269   0.345
  159    H    ASP  29           H        ASP  29  -2.634   4.242  -2.054
  160    HA   ASP  29           HA       ASP  29  -0.579   5.093  -3.846
  161    HB3  ASP  29           2HB      ASP  29   1.121   5.408  -2.075
  162    HD2  ASP  29           HD       ASP  29   1.189   7.293  -2.889
  163    H    ASP  30           H        ASP  30   0.932   3.667  -1.194
  164    HA   ASP  30           HA       ASP  30  -0.043   1.048  -1.364
  165    HB3  ASP  30           2HB      ASP  30   1.034   0.490  -3.312
  166    HD2  ASP  30           HD       ASP  30   4.044   1.217  -4.001
  167    H    TYR  31           H        TYR  31   0.273   0.633   0.835
  168    HA   TYR  31           HA       TYR  31   2.847   1.465   1.990
  169    HB3  TYR  31           2HB      TYR  31   0.107   1.922   2.661
  170    HD1  TYR  31           HD2      TYR  31  -0.927  -0.437   2.806
  171    HD2  TYR  31           HD1      TYR  31   1.800   1.115   5.715
  172    HE1  TYR  31           HE2      TYR  31  -1.734  -2.160   4.493
  173    HE2  TYR  31           HE1      TYR  31   0.984  -0.614   7.392
  174    HH   TYR  31           HH       TYR  31  -1.194  -3.176   6.423
  175    H    CYS  32           H        CYS  32   3.549   0.030   3.894
  176    HA   CYS  32           HA       CYS  32   3.954  -2.537   2.958
  177    HB3  CYS  32           2HB      CYS  32   5.551  -1.932   4.453
  178    H    ASN  33           H        ASN  33   3.390  -4.172   5.309
  179    HA   ASN  33           HA       ASN  33   0.897  -4.056   6.302
  180    HB3  ASN  33           2HB      ASN  33   0.148  -4.129   3.860
  181   HD21  ASN  33          1HD2      ASN  33  -0.889  -6.672   3.037
  182   HD22  ASN  33          2HD2      ASN  33   0.374  -7.542   2.233
  183    H    GLY  34           H        GLY  34   3.555  -4.989   6.919
  184    HA2  GLY  34           1HA      GLY  34   4.623  -6.701   7.905
  185    HA3  GLY  34           2HA      GLY  34   3.058  -7.454   8.129
  186    H    LYS  35           H        LYS  35   3.902  -6.654   4.824
  187    HA   LYS  35           HA       LYS  35   4.991  -9.316   4.364
  188    HB3  LYS  35           2HB      LYS  35   2.510  -8.264   2.970
  189    HG3  LYS  35           2HG      LYS  35   4.530 -10.256   2.228
  190    HD3  LYS  35           2HD      LYS  35   1.701 -11.168   2.829
  191    HE3  LYS  35           2HE      LYS  35   2.778 -11.475   0.286
  192    HZ1  LYS  35           1HZ      LYS  35   3.170 -14.089   0.647
  193    HZ2  LYS  35           2HZ      LYS  35   4.402 -13.027   0.598
  194    H    THR  36           H        THR  36   3.726  -7.666   1.603
  195    HA   THR  36           HA       THR  36   6.444  -6.736   0.985
  196    HB   THR  36           HB       THR  36   5.635  -8.400  -0.585
  197    HG1  THR  36           HG1      THR  36   4.870  -5.800  -1.678
  198   HG21  THR  36          1HG2      THR  36   3.253  -8.491  -0.309
  199   HG22  THR  36          2HG2      THR  36   3.083  -6.732  -0.517
  200   HG23  THR  36          3HG2      THR  36   3.474  -7.761  -1.915
  201    H    CYS  37           H        CYS  37   6.302  -4.829  -0.758
  202    HA   CYS  37           HA       CYS  37   4.443  -2.873   0.383
  203    HB3  CYS  37           2HB      CYS  37   6.743  -2.524   1.207
  204    H    ASP  38           H        ASP  38   3.115  -3.739  -1.511
  205    HA   ASP  38           HA       ASP  38   3.889  -2.252  -3.878
  206    HB3  ASP  38           2HB      ASP  38   4.485  -4.552  -4.401
  207    HD2  ASP  38           HD       ASP  38   1.625  -5.708  -5.247
  208    H    CYS  39           H        CYS  39   2.146  -1.146  -2.120
  209    HA   CYS  39           HA       CYS  39   0.151  -0.174  -2.166
  210    HB3  CYS  39           2HB      CYS  39   0.122  -0.933  -4.660
  211    HA   PRO  40           HA       PRO  40  -1.016  -4.154   0.052
  212    HB3  PRO  40           2HB      PRO  40   0.921  -5.241   0.656
  213    HG3  PRO  40           2HG      PRO  40   2.854  -4.031   0.304
  214    HD3  PRO  40           2HD      PRO  40   2.143  -2.601  -1.351
  215    H    ARG  41           H        ARG  41  -2.510  -2.109   0.069
  216    HA   ARG  41           HA       ARG  41  -3.407  -1.986   2.670
  217    HB3  ARG  41           2HB      ARG  41  -1.939   0.540   1.753
  218    HG3  ARG  41           2HG      ARG  41  -3.570  -0.072   4.263
  219    HD3  ARG  41           2HD      ARG  41  -2.752   2.673   4.101
  220    HE   ARG  41           HE       ARG  41  -1.599   0.748   6.053
  221   HH11  ARG  41          2HH2      ARG  41  -4.161   3.065   5.267
  222   HH12  ARG  41          1HH2      ARG  41  -4.696   3.218   6.907
  223   HH22  ARG  41          1HH       ARG  41  -3.590   1.965   8.625
  224    H    ASN  42           H        ASN  42  -4.878  -2.612   0.596
  225    HA   ASN  42           HA       ASN  42  -6.333  -0.168  -0.020
  226    HB3  ASN  42           2HB      ASN  42  -5.385  -0.621  -2.141
  227   HD21  ASN  42          1HD2      ASN  42  -4.281  -2.518  -0.203
  228   HD22  ASN  42          2HD2      ASN  42  -3.846  -3.949  -1.075
  229    HA   PRO  43           HA       PRO  43  -8.837  -3.709   1.643
  230    HB3  PRO  43           2HB      PRO  43  -8.133  -3.851   3.830
  231    HG3  PRO  43           2HG      PRO  43  -6.742  -2.140   4.507
  232    HD3  PRO  43           2HD      PRO  43  -5.883  -1.485   2.477
  233    H    HIS  44           H        HIS  44  -9.677  -2.131  -0.286
  234    HA   HIS  44           HA       HIS  44 -12.114  -0.973   0.855
  235    HB3  HIS  44           2HB      HIS  44 -11.937   0.791  -0.525
  236    HD1  HIS  44           HD1      HIS  44  -9.528   0.070   1.422
  237    HD2  HIS  44           HD2      HIS  44  -9.175   1.300  -2.573
  238    HE1  HIS  44           HE1      HIS  44  -7.187   1.057   1.182
  239    H    LYS  45           H        LYS  45 -12.970  -0.806  -2.155
  240    HA   LYS  45           HA       LYS  45 -14.876  -2.402  -2.495
  241    HB3  LYS  45           2HB      LYS  45 -14.196  -2.926  -4.841
  242    HG3  LYS  45           2HG      LYS  45 -13.323  -0.295  -5.086
  243    HD3  LYS  45           2HD      LYS  45 -15.305  -1.149  -6.219
  244    HE3  LYS  45           2HE      LYS  45 -17.438  -1.133  -4.516
  245    HZ1  LYS  45           1HZ      LYS  45 -16.671  -3.683  -4.324
  246    HZ2  LYS  45           2HZ      LYS  45 -17.306  -3.067  -5.691
  247    H    GLY  46           H        GLY  46 -11.644  -3.918  -3.198
  248    HA2  GLY  46           1HA      GLY  46 -12.199  -6.167  -1.518
  249    HA3  GLY  46           2HA      GLY  46 -12.455  -6.537  -3.213
  250    HA   PRO  47           HA       PRO  47  -7.995  -5.493  -3.569
  251    HB3  PRO  47           2HB      PRO  47  -7.709  -3.295  -4.190
  252    HG3  PRO  47           2HG      PRO  47  -9.334  -1.855  -3.413
  253    HD3  PRO  47           2HD      PRO  47 -11.071  -3.329  -3.103
  254    H    ALA  48           H        ALA  48  -5.814  -4.461  -2.071
  255    HA   ALA  48           HA       ALA  48  -5.247  -4.605   0.293
  256    HB1  ALA  48           1HB      ALA  48  -7.203  -5.848   1.007
  257    HB2  ALA  48           2HB      ALA  48  -6.746  -7.237  -0.009
  258    HB3  ALA  48           3HB      ALA  48  -5.755  -6.805   1.406
  259    H    THR  49           H        THR  49  -3.071  -4.870   0.306
  260    HA   THR  49           HA       THR  49  -1.976  -7.206  -1.083
  261    HB   THR  49           HB       THR  49  -1.556  -4.277  -1.689
  262    HG1  THR  49           HG1      THR  49  -1.840  -5.222  -3.728
  263   HG21  THR  49          1HG2      THR  49   0.713  -4.431  -1.878
  264   HG22  THR  49          2HG2      THR  49   0.652  -6.034  -1.108
  265   HG23  THR  49          3HG2      THR  49   0.534  -5.893  -2.878
  Start of MODEL    6
    1    H2   GLU   1           1H       GLU   1  12.092  -4.006   1.102
    2    HA   GLU   1           HA       GLU   1   9.441  -2.793   1.041
    3    HB3  GLU   1           2HB      GLU   1  10.602  -1.166   2.160
    4    HG3  GLU   1           2HG      GLU   1  13.081  -2.320   0.820
    5    HE2  GLU   1           HE       GLU   1  14.617   0.752   1.138
    6    H    CYS   2           H        CYS   2  12.173  -1.521  -0.820
    7    HA   CYS   2           HA       CYS   2  11.097  -1.083  -3.126
    8    HB3  CYS   2           2HB      CYS   2  13.688  -2.628  -3.069
    9    H    GLU   3           H        GLU   3  12.364  -4.383  -2.243
   10    HA   GLU   3           HA       GLU   3  10.151  -5.639  -3.410
   11    HB3  GLU   3           2HB      GLU   3  12.736  -6.104  -4.943
   12    HG3  GLU   3           2HG      GLU   3  11.123  -6.995  -6.646
   13    HE2  GLU   3           HE       GLU   3  12.546  -8.912  -5.938
   14    H    SER   4           H        SER   4  10.489  -6.257  -1.052
   15    HA   SER   4           HA       SER   4  11.447  -8.828  -0.915
   16    HB3  SER   4           2HB      SER   4  13.389  -6.707   0.039
   17    HG   SER   4           HG       SER   4  14.359  -8.155   1.420
   18    H    GLY   5           H        GLY   5  10.746  -5.710   0.687
   19    HA2  GLY   5           1HA      GLY   5   9.211  -7.178   2.727
   20    HA3  GLY   5           2HA      GLY   5  10.373  -5.961   3.218
   21    HA   PRO   6           HA       PRO   6   6.313  -4.032   2.023
   22    HB3  PRO   6           2HB      PRO   6   4.712  -5.085   3.300
   23    HG3  PRO   6           2HG      PRO   6   5.548  -6.517   4.903
   24    HD3  PRO   6           2HD      PRO   6   7.592  -7.016   3.978
   25    H    CYS   7           H        CYS   7   5.304  -1.878   2.909
   26    HA   CYS   7           HA       CYS   7   5.656   0.116   3.874
   27    HB3  CYS   7           2HB      CYS   7   8.399   0.304   4.490
   28    H    CYS   8           H        CYS   8   5.357   0.202   1.364
   29    HA   CYS   8           HA       CYS   8   6.962   2.137   0.320
   30    HB3  CYS   8           2HB      CYS   8   8.437  -0.198   0.310
   31    H    ARG   9           H        ARG   9   6.075   2.821  -1.725
   32    HA   ARG   9           HA       ARG   9   3.639   1.413  -2.353
   33    HB3  ARG   9           2HB      ARG   9   2.806   3.493  -2.780
   34    HG3  ARG   9           2HG      ARG   9   4.762   3.929  -1.003
   35    HD3  ARG   9           2HD      ARG   9   5.608   5.703  -3.338
   36    HE   ARG   9           HE       ARG   9   6.458   5.463  -0.512
   37   HH11  ARG   9          2HH2      ARG   9   7.156   6.783  -3.725
   38   HH12  ARG   9          1HH2      ARG   9   8.246   7.991  -3.129
   39   HH22  ARG   9          1HH       ARG   9   8.665   8.133  -0.774
   40    H    ASN  10           H        ASN  10   6.822   1.244  -3.277
   41    HA   ASN  10           HA       ASN  10   6.329  -0.233  -5.525
   42    HB3  ASN  10           2HB      ASN  10   5.734   2.064  -6.496
   43   HD21  ASN  10          1HD2      ASN  10   6.699   3.343  -4.541
   44   HD22  ASN  10          2HD2      ASN  10   8.040   4.375  -4.915
   45    H    CYS  11           H        CYS  11   8.420   2.052  -3.727
   46    HA   CYS  11           HA       CYS  11  10.379   0.428  -3.026
   47    HB3  CYS  11           2HB      CYS  11  10.830   1.216  -5.887
   48    H    LYS  12           H        LYS  12   9.974   2.170  -1.433
   49    HA   LYS  12           HA       LYS  12  11.940   4.022  -1.242
   50    HB3  LYS  12           2HB      LYS  12   9.697   5.773  -1.979
   51    HG3  LYS  12           2HG      LYS  12  12.197   6.311  -1.412
   52    HD3  LYS  12           2HD      LYS  12  12.950   4.561  -3.212
   53    HE3  LYS  12           2HE      LYS  12  11.416   6.149  -4.893
   54    HZ1  LYS  12           1HZ      LYS  12  12.756   7.941  -5.269
   55    HZ2  LYS  12           2HZ      LYS  12  14.130   7.199  -4.806
   56    H    PHE  13           H        PHE  13   8.597   3.019  -0.681
   57    HA   PHE  13           HA       PHE  13   7.461   2.823   1.207
   58    HB3  PHE  13           2HB      PHE  13  10.042   3.984   2.415
   59    HD1  PHE  13           HD1      PHE  13   6.661   2.781   3.090
   60    HD2  PHE  13           HD2      PHE  13  10.421   3.732   4.809
   61    HE1  PHE  13           HE1      PHE  13   5.616   2.787   5.372
   62    HE2  PHE  13           HE2      PHE  13   9.377   3.740   7.091
   63    HZ   PHE  13           HZ       PHE  13   6.986   3.268   7.345
   64    H    LEU  14           H        LEU  14   5.765   4.119   1.753
   65    HA   LEU  14           HA       LEU  14   6.108   6.964   1.414
   66    HB3  LEU  14           2HB      LEU  14   3.529   5.789   2.290
   67    HG   LEU  14           HG       LEU  14   2.577   7.141   0.519
   68   HD11  LEU  14          1HD1      LEU  14   2.653   8.412   2.435
   69   HD12  LEU  14          2HD1      LEU  14   4.432   8.448   2.478
   70   HD13  LEU  14          3HD1      LEU  14   3.550   9.447   1.298
   71   HD21  LEU  14          1HD2      LEU  14   3.876   7.313  -1.313
   72   HD22  LEU  14          2HD2      LEU  14   4.434   8.808  -0.524
   73   HD23  LEU  14          3HD2      LEU  14   5.391   7.313  -0.380
   74    H    LYS  15           H        LYS  15   4.146   5.263   3.917
   75    HA   LYS  15           HA       LYS  15   5.782   5.931   6.074
   76    HB3  LYS  15           2HB      LYS  15   5.236   8.255   5.424
   77    HG3  LYS  15           2HG      LYS  15   2.411   7.791   6.385
   78    HD3  LYS  15           2HD      LYS  15   3.032   9.647   4.151
   79    HE3  LYS  15           2HE      LYS  15   1.802  10.218   6.880
   80    HZ1  LYS  15           1HZ      LYS  15   2.343  11.932   4.957
   81    HZ2  LYS  15           2HZ      LYS  15   0.930  11.399   4.348
   82    H    GLU  16           H        GLU  16   5.297   4.065   7.120
   83    HA   GLU  16           HA       GLU  16   3.579   2.317   7.113
   84    HB3  GLU  16           2HB      GLU  16   3.106   2.747   9.758
   85    HG3  GLU  16           2HG      GLU  16   5.839   2.101   8.554
   86    HE2  GLU  16           HE       GLU  16   5.554   0.248  11.940
   87    H    GLY  17           H        GLY  17   1.729   2.879   5.806
   88    HA2  GLY  17           1HA      GLY  17  -0.668   3.178   7.132
   89    HA3  GLY  17           2HA      GLY  17  -0.189   4.801   6.677
   90    H    THR  18           H        THR  18   0.894   4.751   4.239
   91    HA   THR  18           HA       THR  18  -0.392   4.978   2.236
   92    HB   THR  18           HB       THR  18   0.607   2.614   1.192
   93    HG1  THR  18           HG1      THR  18   1.512   3.192   3.860
   94   HG21  THR  18          1HG2      THR  18   1.570   5.351   1.554
   95   HG22  THR  18          2HG2      THR  18   2.913   4.198   1.741
   96   HG23  THR  18          3HG2      THR  18   1.948   4.205   0.246
   97    H    ILE  19           H        ILE  19  -0.980   2.527   0.653
   98    HA   ILE  19           HA       ILE  19  -2.937   0.997   1.882
   99    HB   ILE  19           HB       ILE  19  -4.527   2.521   2.213
  100   HG13  ILE  19          2HG1      ILE  19  -5.779   1.380   0.665
  101   HG21  ILE  19          1HG2      ILE  19  -3.150   4.240   0.142
  102   HG22  ILE  19          2HG2      ILE  19  -4.677   4.696   0.934
  103   HG23  ILE  19          3HG2      ILE  19  -3.205   4.462   1.907
  104   HD11  ILE  19          1HD1      ILE  19  -7.135   3.000  -0.194
  105   HD12  ILE  19          2HD1      ILE  19  -6.002   4.144   0.564
  106   HD13  ILE  19          3HD1      ILE  19  -5.816   3.714  -1.153
  107    H    CYS  20           H        CYS  20  -2.191  -0.705   0.672
  108    HA   CYS  20           HA       CYS  20  -1.118  -1.252  -1.446
  109    HB3  CYS  20           2HB      CYS  20  -3.811  -2.186  -0.665
  110    H    LYS  21           H        LYS  21  -4.562  -0.713  -2.361
  111    HA   LYS  21           HA       LYS  21  -3.920   1.546  -4.000
  112    HB3  LYS  21           2HB      LYS  21  -4.739   0.316  -6.104
  113    HG3  LYS  21           2HG      LYS  21  -2.088  -0.830  -5.308
  114    HD3  LYS  21           2HD      LYS  21  -2.090   1.148  -7.438
  115    HE3  LYS  21           2HE      LYS  21  -1.308  -1.654  -6.942
  116    HZ1  LYS  21           1HZ      LYS  21  -1.349  -2.168  -9.365
  117    HZ2  LYS  21           2HZ      LYS  21  -2.846  -2.117  -8.725
  118    H    ARG  22           H        ARG  22  -5.525   2.605  -2.789
  119    HA   ARG  22           HA       ARG  22  -7.841   1.751  -1.920
  120    HB3  ARG  22           2HB      ARG  22  -6.966   4.356  -3.131
  121    HG3  ARG  22           2HG      ARG  22  -9.449   3.828  -3.842
  122    HD3  ARG  22           2HD      ARG  22 -10.308   2.981  -1.724
  123    HE   ARG  22           HE       ARG  22  -8.862   4.030  -0.066
  124   HH11  ARG  22          2HH2      ARG  22 -11.371   6.173  -1.357
  125   HH12  ARG  22          1HH2      ARG  22 -11.266   7.293  -0.041
  126   HH22  ARG  22          1HH       ARG  22  -9.702   6.883   1.728
  127    H    ALA  23           H        ALA  23  -8.821   0.064  -3.174
  128    HA   ALA  23           HA       ALA  23  -9.464   0.498  -5.922
  129    HB1  ALA  23           1HB      ALA  23 -10.319  -1.718  -5.834
  130    HB2  ALA  23           2HB      ALA  23  -8.934  -1.715  -4.718
  131    HB3  ALA  23           3HB      ALA  23 -10.592  -1.630  -4.078
  132    H    ARG  24           H        ARG  24 -11.020   0.984  -2.766
  133    HA   ARG  24           HA       ARG  24 -13.584   0.922  -3.185
  134    HB3  ARG  24           2HB      ARG  24 -12.870   3.602  -2.145
  135    HG3  ARG  24           2HG      ARG  24 -14.065   1.056  -0.959
  136    HD3  ARG  24           2HD      ARG  24 -14.619   2.375   1.023
  137    HE   ARG  24           HE       ARG  24 -11.912   1.821   0.355
  138   HH11  ARG  24          2HH2      ARG  24 -13.718   3.905   2.580
  139   HH12  ARG  24          1HH2      ARG  24 -12.455   3.946   3.764
  140   HH22  ARG  24          1HH       ARG  24 -10.422   2.745   3.354
  141    H    GLY  25           H        GLY  25 -11.558   3.789  -4.170
  142    HA2  GLY  25           1HA      GLY  25 -13.467   4.282  -6.359
  143    HA3  GLY  25           2HA      GLY  25 -13.042   5.575  -5.255
  144    H    ASP  26           H        ASP  26 -10.248   4.805  -4.821
  145    HA   ASP  26           HA       ASP  26  -9.002   4.564  -7.330
  146    HB3  ASP  26           2HB      ASP  26  -7.956   7.070  -6.425
  147    HD2  ASP  26           HD       ASP  26  -9.054   8.776  -7.983
  148    H    ASP  27           H        ASP  27  -7.265   3.303  -6.645
  149    HA   ASP  27           HA       ASP  27  -6.466   2.797  -4.205
  150    HB3  ASP  27           2HB      ASP  27  -5.530   1.988  -6.500
  151    HD2  ASP  27           HD       ASP  27  -2.179   4.026  -6.622
  152    H    MET  28           H        MET  28  -4.741   3.602  -2.733
  153    HA   MET  28           HA       MET  28  -4.293   6.454  -3.121
  154    HB3  MET  28           2HB      MET  28  -3.872   6.380  -0.586
  155    HG3  MET  28           2HG      MET  28  -6.297   5.908   0.018
  156    HE1  MET  28           1HE      MET  28  -6.638   9.564  -0.172
  157    HE2  MET  28           2HE      MET  28  -7.343   8.067   0.483
  158    HE3  MET  28           3HE      MET  28  -5.594   8.366   0.628
  159    H    ASP  29           H        ASP  29  -2.652   3.709  -1.375
  160    HA   ASP  29           HA       ASP  29  -0.290   4.160  -2.894
  161    HB3  ASP  29           2HB      ASP  29   1.143   4.920  -1.169
  162    HD2  ASP  29           HD       ASP  29  -1.612   7.333   0.294
  163    H    ASP  30           H        ASP  30   1.328   2.972  -0.549
  164    HA   ASP  30           HA       ASP  30  -0.027   0.432  -0.244
  165    HB3  ASP  30           2HB      ASP  30   2.012  -0.809  -0.881
  166    HD2  ASP  30           HD       ASP  30   1.465   2.080  -2.646
  167    H    TYR  31           H        TYR  31  -0.027   0.158   1.994
  168    HA   TYR  31           HA       TYR  31   2.208   1.304   3.500
  169    HB3  TYR  31           2HB      TYR  31  -0.661   1.155   3.714
  170    HD1  TYR  31           HD1      TYR  31   1.436   0.326   6.686
  171    HD2  TYR  31           HD2      TYR  31  -1.863  -0.816   4.215
  172    HE1  TYR  31           HE1      TYR  31   0.802  -1.482   8.357
  173    HE2  TYR  31           HE2      TYR  31  -2.486  -2.621   5.893
  174    HH   TYR  31           HH       TYR  31  -0.949  -2.795   9.005
  175    H    CYS  32           H        CYS  32   3.816  -0.034   4.139
  176    HA   CYS  32           HA       CYS  32   4.005  -2.655   3.674
  177    HB3  CYS  32           2HB      CYS  32   5.854  -1.320   4.470
  178    H    ASN  33           H        ASN  33   2.437  -4.189   4.098
  179    HA   ASN  33           HA       ASN  33   1.014  -3.973   6.601
  180    HB3  ASN  33           2HB      ASN  33  -0.457  -4.379   4.747
  181   HD21  ASN  33          1HD2      ASN  33  -0.921  -5.165   2.754
  182   HD22  ASN  33          2HD2      ASN  33   0.196  -6.030   1.753
  183    H    GLY  34           H        GLY  34   3.921  -4.841   6.337
  184    HA2  GLY  34           1HA      GLY  34   5.281  -6.360   7.286
  185    HA3  GLY  34           2HA      GLY  34   3.887  -7.030   8.111
  186    H    LYS  35           H        LYS  35   3.500  -6.848   4.662
  187    HA   LYS  35           HA       LYS  35   4.305  -9.664   4.433
  188    HB3  LYS  35           2HB      LYS  35   2.114  -8.843   2.672
  189    HG3  LYS  35           2HG      LYS  35   2.433 -11.056   4.757
  190    HD3  LYS  35           2HD      LYS  35   0.118 -10.242   3.438
  191    HE3  LYS  35           2HE      LYS  35   1.204 -11.047   1.271
  192    HZ1  LYS  35           1HZ      LYS  35   1.659 -13.304   1.020
  193    HZ2  LYS  35           2HZ      LYS  35   2.194 -13.067   2.539
  194    H    THR  36           H        THR  36   3.648  -6.553   2.701
  195    HA   THR  36           HA       THR  36   6.093  -6.607   1.344
  196    HB   THR  36           HB       THR  36   4.374  -8.508   0.288
  197    HG1  THR  36           HG1      THR  36   5.861  -8.073  -1.619
  198   HG21  THR  36          1HG2      THR  36   3.017  -6.335  -0.528
  199   HG22  THR  36          2HG2      THR  36   4.326  -6.256  -1.732
  200   HG23  THR  36          3HG2      THR  36   3.291  -7.700  -1.637
  201    H    CYS  37           H        CYS  37   6.251  -4.836  -0.290
  202    HA   CYS  37           HA       CYS  37   4.450  -2.713   0.565
  203    HB3  CYS  37           2HB      CYS  37   7.033  -2.596   0.692
  204    H    ASP  38           H        ASP  38   2.989  -4.281  -0.991
  205    HA   ASP  38           HA       ASP  38   2.874  -2.805  -3.453
  206    HB3  ASP  38           2HB      ASP  38   2.540  -4.985  -4.747
  207    HD2  ASP  38           HD       ASP  38   6.316  -5.618  -4.360
  208    H    CYS  39           H        CYS  39   0.733  -2.103  -3.370
  209    HA   CYS  39           HA       CYS  39  -1.407  -2.031  -2.827
  210    HB3  CYS  39           2HB      CYS  39  -1.110  -4.685  -4.190
  211    HA   PRO  40           HA       PRO  40  -0.753  -4.720   0.915
  212    HB3  PRO  40           2HB      PRO  40   1.315  -4.118   1.729
  213    HG3  PRO  40           2HG      PRO  40   2.266  -2.293   0.686
  214    HD3  PRO  40           2HD      PRO  40   1.190  -2.377  -1.343
  215    H    ARG  41           H        ARG  41  -1.458  -1.262   1.059
  216    HA   ARG  41           HA       ARG  41  -3.675  -1.979   2.785
  217    HB3  ARG  41           2HB      ARG  41  -2.403   0.738   2.175
  218    HG3  ARG  41           2HG      ARG  41  -4.966   0.531   2.891
  219    HD3  ARG  41           2HD      ARG  41  -3.449  -0.443   5.256
  220    HE   ARG  41           HE       ARG  41  -3.993   1.560   6.402
  221   HH11  ARG  41          2HH2      ARG  41  -6.825   0.325   4.667
  222   HH12  ARG  41          1HH2      ARG  41  -7.935   1.384   5.472
  223   HH22  ARG  41          1HH       ARG  41  -7.108   2.923   7.112
  224    H    ASN  42           H        ASN  42  -5.840  -1.489   2.194
  225    HA   ASN  42           HA       ASN  42  -6.872   0.230   0.565
  226    HB3  ASN  42           2HB      ASN  42  -5.478  -0.186  -1.348
  227   HD21  ASN  42          1HD2      ASN  42  -5.286  -2.468   0.785
  228   HD22  ASN  42          2HD2      ASN  42  -4.583  -3.789  -0.087
  229    HA   PRO  43           HA       PRO  43  -9.316  -3.455   1.911
  230    HB3  PRO  43           2HB      PRO  43  -9.076  -3.359   4.199
  231    HG3  PRO  43           2HG      PRO  43  -8.042  -1.451   4.979
  232    HD3  PRO  43           2HD      PRO  43  -6.850  -0.841   3.111
  233    H    HIS  44           H        HIS  44  -9.770  -1.675  -0.189
  234    HA   HIS  44           HA       HIS  44 -12.519  -0.854   0.299
  235    HB3  HIS  44           2HB      HIS  44 -12.195   0.778  -1.212
  236    HD1  HIS  44           HD1      HIS  44  -9.795  -0.197   1.026
  237    HD2  HIS  44           HD2      HIS  44  -9.501   1.982  -2.546
  238    HE1  HIS  44           HE1      HIS  44  -7.626   1.140   1.181
  239    H    LYS  45           H        LYS  45 -12.359  -1.161  -2.959
  240    HA   LYS  45           HA       LYS  45 -14.206  -2.976  -3.374
  241    HB3  LYS  45           2HB      LYS  45 -13.094  -3.509  -5.550
  242    HG3  LYS  45           2HG      LYS  45 -12.677  -0.884  -6.033
  243    HD3  LYS  45           2HD      LYS  45 -15.433  -0.877  -5.563
  244    HE3  LYS  45           2HE      LYS  45 -14.694  -2.368  -7.993
  245    HZ1  LYS  45           1HZ      LYS  45 -16.363  -0.265  -7.222
  246    HZ2  LYS  45           2HZ      LYS  45 -15.384   0.338  -8.376
  247    H    GLY  46           H        GLY  46 -11.035  -4.364  -4.225
  248    HA2  GLY  46           1HA      GLY  46 -11.541  -6.577  -2.335
  249    HA3  GLY  46           2HA      GLY  46 -11.236  -6.886  -4.034
  250    HA   PRO  47           HA       PRO  47  -7.096  -5.144  -2.981
  251    HB3  PRO  47           2HB      PRO  47  -7.023  -2.862  -3.280
  252    HG3  PRO  47           2HG      PRO  47  -9.022  -1.777  -2.899
  253    HD3  PRO  47           2HD      PRO  47 -10.498  -3.500  -3.269
  254    H    ALA  48           H        ALA  48  -5.565  -4.141  -0.869
  255    HA   ALA  48           HA       ALA  48  -5.164  -4.494   1.355
  256    HB1  ALA  48           1HB      ALA  48  -7.102  -6.822   1.370
  257    HB2  ALA  48           2HB      ALA  48  -6.524  -5.843   2.739
  258    HB3  ALA  48           3HB      ALA  48  -7.664  -5.144   1.564
  259    H    THR  49           H        THR  49  -3.177  -5.368   1.636
  260    HA   THR  49           HA       THR  49  -2.753  -8.109   0.683
  261    HB   THR  49           HB       THR  49  -1.336  -5.562  -0.156
  262    HG1  THR  49           HG1      THR  49  -2.093  -8.161  -1.298
  263   HG21  THR  49          1HG2      THR  49  -0.025  -8.095   0.604
  264   HG22  THR  49          2HG2      THR  49   0.184  -7.728  -1.125
  265   HG23  THR  49          3HG2      THR  49   0.715  -6.556   0.105
  Start of MODEL    7
    1    H2   GLU   1           1H       GLU   1   5.865  -4.663  -5.521
    2    HA   GLU   1           HA       GLU   1   7.167  -4.172  -3.303
    3    HB3  GLU   1           2HB      GLU   1   6.244  -6.408  -4.239
    4    HG3  GLU   1           2HG      GLU   1   8.043  -7.986  -4.983
    5    HE2  GLU   1           HE       GLU   1   6.003  -6.301  -7.341
    6    H    CYS   2           H        CYS   2   9.203  -3.626  -2.567
    7    HA   CYS   2           HA       CYS   2  11.124  -2.892  -4.522
    8    HB3  CYS   2           2HB      CYS   2  10.935  -2.748  -1.540
    9    H    GLU   3           H        GLU   3  11.086  -5.245  -1.735
   10    HA   GLU   3           HA       GLU   3  12.777  -6.960  -3.355
   11    HB3  GLU   3           2HB      GLU   3  13.313  -6.433  -0.402
   12    HG3  GLU   3           2HG      GLU   3  14.571  -8.109  -2.575
   13    HE2  GLU   3           HE       GLU   3  17.165  -6.651   0.145
   14    H    SER   4           H        SER   4  10.517  -6.473  -0.623
   15    HA   SER   4           HA       SER   4   8.817  -8.374  -1.047
   16    HB3  SER   4           2HB      SER   4  11.342  -9.674  -0.070
   17    HG   SER   4           HG       SER   4   8.729 -10.213   0.923
   18    H    GLY   5           H        GLY   5  10.816  -6.565   1.115
   19    HA2  GLY   5           1HA      GLY   5   9.289  -7.161   3.511
   20    HA3  GLY   5           2HA      GLY   5  10.628  -6.043   3.339
   21    HA   PRO   6           HA       PRO   6   6.423  -3.957   2.812
   22    HB3  PRO   6           2HB      PRO   6   4.800  -5.054   4.021
   23    HG3  PRO   6           2HG      PRO   6   5.596  -6.683   5.446
   24    HD3  PRO   6           2HD      PRO   6   7.589  -7.188   4.417
   25    H    CYS   7           H        CYS   7   5.772  -1.765   3.452
   26    HA   CYS   7           HA       CYS   7   6.182   0.200   4.416
   27    HB3  CYS   7           2HB      CYS   7   8.311   0.388   5.937
   28    H    CYS   8           H        CYS   8   6.698  -0.030   1.862
   29    HA   CYS   8           HA       CYS   8   8.824   1.676   1.362
   30    HB3  CYS   8           2HB      CYS   8  10.534   0.225   1.515
   31    H    ARG   9           H        ARG   9   6.592   2.353   0.495
   32    HA   ARG   9           HA       ARG   9   5.000   1.295  -1.189
   33    HB3  ARG   9           2HB      ARG   9   4.509   3.529  -1.238
   34    HG3  ARG   9           2HG      ARG   9   7.483   3.797  -0.817
   35    HD3  ARG   9           2HD      ARG   9   5.612   6.003  -1.785
   36    HE   ARG   9           HE       ARG   9   7.475   6.311   0.292
   37   HH11  ARG   9          2HH2      ARG   9   7.039   7.652  -2.958
   38   HH12  ARG   9          1HH2      ARG   9   7.810   9.155  -2.576
   39   HH22  ARG   9          1HH       ARG   9   8.657   9.511  -0.363
   40    H    ASN  10           H        ASN  10   8.235   2.549  -2.290
   41    HA   ASN  10           HA       ASN  10   8.195   0.502  -4.327
   42    HB3  ASN  10           2HB      ASN  10   7.349   2.771  -5.272
   43   HD21  ASN  10          1HD2      ASN  10   8.137   4.171  -3.362
   44   HD22  ASN  10          2HD2      ASN  10   9.414   5.288  -3.707
   45    H    CYS  11           H        CYS  11   9.616   0.734  -1.798
   46    HA   CYS  11           HA       CYS  11  11.680   0.217  -1.143
   47    HB3  CYS  11           2HB      CYS  11  13.096   1.271  -3.536
   48    H    LYS  12           H        LYS  12  10.537   2.345  -0.104
   49    HA   LYS  12           HA       LYS  12  12.642   4.128   0.413
   50    HB3  LYS  12           2HB      LYS  12  10.436   5.605  -0.960
   51    HG3  LYS  12           2HG      LYS  12  12.430   6.630   0.340
   52    HD3  LYS  12           2HD      LYS  12  14.130   6.485  -2.053
   53    HE3  LYS  12           2HE      LYS  12  14.346   6.477   0.906
   54    HZ1  LYS  12           1HZ      LYS  12  16.656   5.323  -0.466
   55    HZ2  LYS  12           2HZ      LYS  12  16.183   5.135   1.082
   56    H    PHE  13           H        PHE  13   9.177   3.280   0.435
   57    HA   PHE  13           HA       PHE  13   7.790   3.143   2.168
   58    HB3  PHE  13           2HB      PHE  13   9.818   4.669   3.878
   59    HD1  PHE  13           HD1      PHE  13   6.648   3.616   3.789
   60    HD2  PHE  13           HD2      PHE  13  10.166   2.838   6.029
   61    HE1  PHE  13           HE1      PHE  13   5.245   2.865   5.731
   62    HE2  PHE  13           HE2      PHE  13   8.764   2.087   7.971
   63    HZ   PHE  13           HZ       PHE  13   6.320   2.110   7.798
   64    H    LEU  14           H        LEU  14   6.024   4.445   2.136
   65    HA   LEU  14           HA       LEU  14   6.407   7.261   1.680
   66    HB3  LEU  14           2HB      LEU  14   3.764   5.905   2.094
   67    HG   LEU  14           HG       LEU  14   2.943   7.787   1.259
   68   HD11  LEU  14          1HD1      LEU  14   4.235   9.737   0.904
   69   HD12  LEU  14          2HD1      LEU  14   5.068   8.814   2.177
   70   HD13  LEU  14          3HD1      LEU  14   5.693   8.795   0.511
   71   HD21  LEU  14          1HD2      LEU  14   4.425   8.036  -1.241
   72   HD22  LEU  14          2HD2      LEU  14   3.822   6.385  -0.961
   73   HD23  LEU  14          3HD2      LEU  14   2.691   7.759  -0.953
   74    H    LYS  15           H        LYS  15   4.072   5.648   3.922
   75    HA   LYS  15           HA       LYS  15   5.205   6.479   6.288
   76    HB3  LYS  15           2HB      LYS  15   5.004   8.768   5.531
   77    HG3  LYS  15           2HG      LYS  15   2.202   9.220   5.545
   78    HD3  LYS  15           2HD      LYS  15   3.168   9.139   2.842
   79    HE3  LYS  15           2HE      LYS  15   2.994  11.409   4.881
   80    HZ1  LYS  15           1HZ      LYS  15   2.618  12.496   2.480
   81    HZ2  LYS  15           2HZ      LYS  15   4.087  12.444   3.181
   82    H    GLU  16           H        GLU  16   4.428   4.405   6.837
   83    HA   GLU  16           HA       GLU  16   2.590   2.897   6.663
   84    HB3  GLU  16           2HB      GLU  16   1.738   3.393   9.221
   85    HG3  GLU  16           2HG      GLU  16   4.569   2.443   8.615
   86    HE2  GLU  16           HE       GLU  16   4.217   0.031  10.147
   87    H    GLY  17           H        GLY  17   1.157   3.907   5.006
   88    HA2  GLY  17           1HA      GLY  17  -1.430   4.414   6.056
   89    HA3  GLY  17           2HA      GLY  17  -0.693   5.909   5.514
   90    H    THR  18           H        THR  18   0.923   4.831   3.347
   91    HA   THR  18           HA       THR  18  -0.708   5.077   1.210
   92    HB   THR  18           HB       THR  18   1.263   3.188   0.451
   93    HG1  THR  18           HG1      THR  18   2.645   3.281   2.174
   94   HG21  THR  18          1HG2      THR  18   2.498   5.776   0.664
   95   HG22  THR  18          2HG2      THR  18   1.823   5.016  -0.797
   96   HG23  THR  18          3HG2      THR  18   0.793   6.045   0.228
   97    H    ILE  19           H        ILE  19  -2.142   3.918   0.018
   98    HA   ILE  19           HA       ILE  19  -2.649   1.193   0.997
   99    HB   ILE  19           HB       ILE  19  -4.635   1.960   1.578
  100   HG13  ILE  19          2HG1      ILE  19  -5.984   1.144   0.015
  101   HG21  ILE  19          1HG2      ILE  19  -4.279   4.194   1.837
  102   HG22  ILE  19          2HG2      ILE  19  -3.735   4.422   0.158
  103   HG23  ILE  19          3HG2      ILE  19  -5.470   4.249   0.515
  104   HD11  ILE  19          1HD1      ILE  19  -6.666   2.639  -1.926
  105   HD12  ILE  19          2HD1      ILE  19  -6.846   3.387  -0.322
  106   HD13  ILE  19          3HD1      ILE  19  -5.462   3.820  -1.354
  107    H    CYS  20           H        CYS  20  -2.389  -0.410  -0.468
  108    HA   CYS  20           HA       CYS  20  -1.168  -0.300  -2.755
  109    HB3  CYS  20           2HB      CYS  20  -3.501  -2.011  -1.966
  110    H    LYS  21           H        LYS  21  -4.743  -0.678  -3.124
  111    HA   LYS  21           HA       LYS  21  -4.830   1.710  -4.776
  112    HB3  LYS  21           2HB      LYS  21  -4.440  -0.797  -5.951
  113    HG3  LYS  21           2HG      LYS  21  -7.342   0.130  -6.160
  114    HD3  LYS  21           2HD      LYS  21  -7.106  -2.163  -7.687
  115    HE3  LYS  21           2HE      LYS  21  -6.856  -0.282  -9.631
  116    HZ1  LYS  21           1HZ      LYS  21  -9.120  -0.433  -9.685
  117    HZ2  LYS  21           2HZ      LYS  21  -8.916  -1.585  -8.552
  118    H    ARG  22           H        ARG  22  -6.395   2.849  -3.758
  119    HA   ARG  22           HA       ARG  22  -8.292   1.659  -2.147
  120    HB3  ARG  22           2HB      ARG  22  -7.731   4.373  -3.232
  121    HG3  ARG  22           2HG      ARG  22 -10.138   4.105  -3.888
  122    HD3  ARG  22           2HD      ARG  22 -10.891   2.453  -2.246
  123    HE   ARG  22           HE       ARG  22  -9.373   3.546  -0.359
  124   HH11  ARG  22          2HH2      ARG  22 -12.908   3.667  -0.559
  125   HH12  ARG  22          1HH2      ARG  22 -13.124   3.792   1.155
  126   HH22  ARG  22          1HH       ARG  22 -11.200   3.814   2.582
  127    H    ALA  23           H        ALA  23  -9.027  -0.086  -3.726
  128    HA   ALA  23           HA       ALA  23 -10.327   0.420  -6.094
  129    HB1  ALA  23           1HB      ALA  23  -9.688  -1.811  -5.366
  130    HB2  ALA  23           2HB      ALA  23 -10.803  -1.719  -3.981
  131    HB3  ALA  23           3HB      ALA  23 -11.447  -1.777  -5.639
  132    H    ARG  24           H        ARG  24 -11.917  -0.153  -2.867
  133    HA   ARG  24           HA       ARG  24 -14.355   0.144  -3.095
  134    HB3  ARG  24           2HB      ARG  24 -14.112   2.372  -1.444
  135    HG3  ARG  24           2HG      ARG  24 -13.532  -0.558  -0.803
  136    HD3  ARG  24           2HD      ARG  24 -14.256   0.083   1.522
  137    HE   ARG  24           HE       ARG  24 -11.734   0.989   0.328
  138   HH11  ARG  24          2HH2      ARG  24 -13.578   0.706   3.339
  139   HH12  ARG  24          1HH2      ARG  24 -12.173   0.765   4.350
  140   HH22  ARG  24          1HH       ARG  24 -10.010   0.978   3.343
  141    H    GLY  25           H        GLY  25 -12.227   2.975  -3.854
  142    HA2  GLY  25           1HA      GLY  25 -14.382   4.037  -5.559
  143    HA3  GLY  25           2HA      GLY  25 -13.618   5.070  -4.368
  144    H    ASP  26           H        ASP  26 -11.102   5.122  -4.443
  145    HA   ASP  26           HA       ASP  26 -10.132   4.643  -7.121
  146    HB3  ASP  26           2HB      ASP  26 -10.792   6.943  -7.324
  147    HD2  ASP  26           HD       ASP  26 -11.410   7.599  -4.015
  148    H    ASP  27           H        ASP  27  -8.112   3.659  -6.896
  149    HA   ASP  27           HA       ASP  27  -6.998   2.972  -4.592
  150    HB3  ASP  27           2HB      ASP  27  -6.322   2.468  -7.079
  151    HD2  ASP  27           HD       ASP  27  -4.123   4.093  -8.862
  152    H    MET  28           H        MET  28  -5.237   3.819  -3.228
  153    HA   MET  28           HA       MET  28  -5.040   6.715  -3.424
  154    HB3  MET  28           2HB      MET  28  -4.262   6.457  -0.982
  155    HG3  MET  28           2HG      MET  28  -6.524   5.818  -0.101
  156    HE1  MET  28           1HE      MET  28  -6.400   7.725   0.687
  157    HE2  MET  28           2HE      MET  28  -5.942   9.229  -0.149
  158    HE3  MET  28           3HE      MET  28  -7.656   8.880   0.180
  159    H    ASP  29           H        ASP  29  -2.909   4.162  -1.961
  160    HA   ASP  29           HA       ASP  29  -0.821   4.958  -3.775
  161    HB3  ASP  29           2HB      ASP  29   0.802   5.322  -1.934
  162    HD2  ASP  29           HD       ASP  29   0.643   7.254  -3.058
  163    H    ASP  30           H        ASP  30   0.559   3.601  -0.996
  164    HA   ASP  30           HA       ASP  30  -0.333   1.000  -1.027
  165    HB3  ASP  30           2HB      ASP  30   0.608   0.162  -2.917
  166    HD2  ASP  30           HD       ASP  30   0.400   1.309  -4.767
  167    H    TYR  31           H        TYR  31   0.158   0.806   1.178
  168    HA   TYR  31           HA       TYR  31   2.853   1.632   2.017
  169    HB3  TYR  31           2HB      TYR  31   0.218   2.229   2.901
  170    HD1  TYR  31           HD2      TYR  31  -1.142   0.222   3.393
  171    HD2  TYR  31           HD1      TYR  31   2.334   1.180   5.695
  172    HE1  TYR  31           HE2      TYR  31  -1.896  -1.386   5.212
  173    HE2  TYR  31           HE1      TYR  31   1.569  -0.431   7.507
  174    HH   TYR  31           HH       TYR  31  -1.586  -1.961   7.343
  175    H    CYS  32           H        CYS  32   3.692   0.320   3.965
  176    HA   CYS  32           HA       CYS  32   4.096  -2.266   3.202
  177    HB3  CYS  32           2HB      CYS  32   5.654  -1.734   4.718
  178    H    ASN  33           H        ASN  33   3.510  -4.147   5.046
  179    HA   ASN  33           HA       ASN  33   0.994  -3.974   6.198
  180    HB3  ASN  33           2HB      ASN  33   0.310  -4.041   3.735
  181   HD21  ASN  33          1HD2      ASN  33  -0.659  -6.555   2.825
  182   HD22  ASN  33          2HD2      ASN  33   0.640  -7.412   2.064
  183    H    GLY  34           H        GLY  34   3.807  -4.909   6.599
  184    HA2  GLY  34           1HA      GLY  34   4.940  -6.626   7.499
  185    HA3  GLY  34           2HA      GLY  34   3.389  -7.262   8.010
  186    H    LYS  35           H        LYS  35   3.742  -6.746   4.566
  187    HA   LYS  35           HA       LYS  35   4.547  -9.528   4.177
  188    HB3  LYS  35           2HB      LYS  35   2.375  -8.670   2.393
  189    HG3  LYS  35           2HG      LYS  35   3.546 -11.029   2.942
  190    HD3  LYS  35           2HD      LYS  35   1.220 -11.827   4.436
  191    HE3  LYS  35           2HE      LYS  35   4.200 -11.944   4.666
  192    HZ1  LYS  35           1HZ      LYS  35   2.991 -13.003   7.011
  193    HZ2  LYS  35           2HZ      LYS  35   4.255 -11.982   6.900
  194    H    THR  36           H        THR  36   3.311  -6.823   2.096
  195    HA   THR  36           HA       THR  36   5.936  -6.869   0.755
  196    HB   THR  36           HB       THR  36   3.191  -6.363  -0.505
  197    HG1  THR  36           HG1      THR  36   3.780  -8.582   0.465
  198   HG21  THR  36          1HG2      THR  36   4.748  -5.546  -2.077
  199   HG22  THR  36          2HG2      THR  36   6.037  -6.633  -1.508
  200   HG23  THR  36          3HG2      THR  36   4.713  -7.272  -2.511
  201    H    CYS  37           H        CYS  37   5.938  -4.707  -0.770
  202    HA   CYS  37           HA       CYS  37   4.970  -2.495   0.838
  203    HB3  CYS  37           2HB      CYS  37   7.230  -3.023   1.698
  204    H    ASP  38           H        ASP  38   3.512  -2.340  -1.049
  205    HA   ASP  38           HA       ASP  38   4.014  -0.468  -2.791
  206    HB3  ASP  38           2HB      ASP  38   5.185  -3.066  -3.830
  207    HD2  ASP  38           HD       ASP  38   4.880  -0.191  -6.359
  208    H    CYS  39           H        CYS  39   1.740  -1.253  -1.641
  209    HA   CYS  39           HA       CYS  39  -0.270  -1.277  -3.170
  210    HB3  CYS  39           2HB      CYS  39   0.114  -4.213  -3.352
  211    HA   PRO  40           HA       PRO  40  -0.665  -3.897   0.806
  212    HB3  PRO  40           2HB      PRO  40   1.329  -4.671   1.660
  213    HG3  PRO  40           2HG      PRO  40   3.210  -3.688   0.756
  214    HD3  PRO  40           2HD      PRO  40   2.375  -2.998  -1.272
  215    H    ARG  41           H        ARG  41  -2.553  -2.666   0.829
  216    HA   ARG  41           HA       ARG  41  -3.335  -1.461   2.883
  217    HB3  ARG  41           2HB      ARG  41  -1.568   0.645   1.542
  218    HG3  ARG  41           2HG      ARG  41  -3.993   0.950   3.115
  219    HD3  ARG  41           2HD      ARG  41  -1.470   2.169   4.337
  220    HE   ARG  41           HE       ARG  41  -3.990   3.211   4.453
  221   HH11  ARG  41          2HH2      ARG  41  -2.068   1.497   6.887
  222   HH12  ARG  41          1HH2      ARG  41  -2.813   2.308   8.226
  223   HH22  ARG  41          1HH       ARG  41  -4.517   3.940   7.809
  224    H    ASN  42           H        ASN  42  -4.963  -2.354   1.224
  225    HA   ASN  42           HA       ASN  42  -6.297  -0.123   0.065
  226    HB3  ASN  42           2HB      ASN  42  -4.903  -0.648  -1.858
  227   HD21  ASN  42          1HD2      ASN  42  -4.034  -2.552  -0.008
  228   HD22  ASN  42          2HD2      ASN  42  -3.777  -4.068  -0.806
  229    HA   PRO  43           HA       PRO  43  -8.651  -3.840   1.553
  230    HB3  PRO  43           2HB      PRO  43  -8.173  -3.884   3.804
  231    HG3  PRO  43           2HG      PRO  43  -7.012  -2.048   4.578
  232    HD3  PRO  43           2HD      PRO  43  -6.002  -1.354   2.631
  233    H    HIS  44           H        HIS  44  -9.380  -2.278  -0.478
  234    HA   HIS  44           HA       HIS  44 -11.963  -1.215   0.363
  235    HB3  HIS  44           2HB      HIS  44 -11.902   0.206  -1.460
  236    HD1  HIS  44           HD1      HIS  44  -9.193  -0.725   0.733
  237    HD2  HIS  44           HD2      HIS  44  -9.665   2.028  -2.398
  238    HE1  HIS  44           HE1      HIS  44  -7.313   0.981   0.991
  239    H    LYS  45           H        LYS  45 -12.374  -1.596  -2.830
  240    HA   LYS  45           HA       LYS  45 -14.292  -3.449  -2.786
  241    HB3  LYS  45           2HB      LYS  45 -13.855  -3.800  -5.189
  242    HG3  LYS  45           2HG      LYS  45 -13.283  -1.050  -5.411
  243    HD3  LYS  45           2HD      LYS  45 -15.883  -2.583  -4.987
  244    HE3  LYS  45           2HE      LYS  45 -15.693   0.121  -4.554
  245    HZ1  LYS  45           1HZ      LYS  45 -14.962   0.488  -6.867
  246    HZ2  LYS  45           2HZ      LYS  45 -16.312  -0.218  -7.441
  247    H    GLY  46           H        GLY  46 -11.288  -4.571  -4.396
  248    HA2  GLY  46           1HA      GLY  46 -11.488  -7.048  -2.789
  249    HA3  GLY  46           2HA      GLY  46 -11.082  -7.005  -4.494
  250    HA   PRO  47           HA       PRO  47  -7.133  -5.188  -3.152
  251    HB3  PRO  47           2HB      PRO  47  -7.137  -2.948  -3.690
  252    HG3  PRO  47           2HG      PRO  47  -9.206  -1.934  -3.572
  253    HD3  PRO  47           2HD      PRO  47 -10.573  -3.761  -3.858
  254    H    ALA  48           H        ALA  48  -5.553  -4.353  -1.260
  255    HA   ALA  48           HA       ALA  48  -5.728  -4.282   1.216
  256    HB1  ALA  48           1HB      ALA  48  -7.775  -5.575   1.400
  257    HB2  ALA  48           2HB      ALA  48  -7.004  -6.983   0.631
  258    HB3  ALA  48           3HB      ALA  48  -6.476  -6.451   2.245
  259    H    THR  49           H        THR  49  -3.532  -4.167   1.345
  260    HA   THR  49           HA       THR  49  -2.061  -6.649   1.186
  261    HB   THR  49           HB       THR  49  -1.541  -4.294  -0.704
  262    HG1  THR  49           HG1      THR  49  -1.841  -6.253  -2.177
  263   HG21  THR  49          1HG2      THR  49   0.001  -6.899  -0.226
  264   HG22  THR  49          2HG2      THR  49   0.252  -5.822  -1.620
  265   HG23  THR  49          3HG2      THR  49   0.624  -5.251   0.024
  Start of MODEL    8
    1    H2   GLU   1           1H       GLU   1   6.172  -4.376  -4.887
    2    HA   GLU   1           HA       GLU   1   7.799  -4.769  -2.771
    3    HB3  GLU   1           2HB      GLU   1   7.572  -6.334  -5.374
    4    HG3  GLU   1           2HG      GLU   1   8.663  -7.369  -2.725
    5    HE2  GLU   1           HE       GLU   1  10.339  -8.940  -3.717
    6    H    CYS   2           H        CYS   2   9.866  -4.181  -2.277
    7    HA   CYS   2           HA       CYS   2  11.628  -3.614  -4.548
    8    HB3  CYS   2           2HB      CYS   2  11.763  -2.400  -1.783
    9    H    GLU   3           H        GLU   3  11.589  -4.577  -1.033
   10    HA   GLU   3           HA       GLU   3  13.719  -6.454  -1.710
   11    HB3  GLU   3           2HB      GLU   3  14.669  -6.100   0.536
   12    HG3  GLU   3           2HG      GLU   3  14.709  -4.231  -1.571
   13    HE2  GLU   3           HE       GLU   3  14.051  -3.351   1.837
   14    H    SER   4           H        SER   4  10.670  -6.654  -1.598
   15    HA   SER   4           HA       SER   4   9.252  -8.223  -1.078
   16    HB3  SER   4           2HB      SER   4  10.146 -10.287  -0.879
   17    HG   SER   4           HG       SER   4  12.260 -10.361  -1.250
   18    H    GLY   5           H        GLY   5  11.003  -6.350   1.204
   19    HA2  GLY   5           1HA      GLY   5   9.341  -7.086   3.489
   20    HA3  GLY   5           2HA      GLY   5  10.698  -5.977   3.465
   21    HA   PRO   6           HA       PRO   6   6.563  -3.832   2.645
   22    HB3  PRO   6           2HB      PRO   6   4.806  -4.999   3.566
   23    HG3  PRO   6           2HG      PRO   6   5.423  -6.738   4.950
   24    HD3  PRO   6           2HD      PRO   6   7.525  -7.184   4.130
   25    H    CYS   7           H        CYS   7   5.735  -1.721   3.510
   26    HA   CYS   7           HA       CYS   7   6.058   0.163   4.631
   27    HB3  CYS   7           2HB      CYS   7   7.752   0.338   6.466
   28    H    CYS   8           H        CYS   8   7.279  -0.707   2.089
   29    HA   CYS   8           HA       CYS   8   9.573   1.110   2.114
   30    HB3  CYS   8           2HB      CYS   8   9.911  -1.545   1.823
   31    H    ARG   9           H        ARG   9   6.464   0.958   1.419
   32    HA   ARG   9           HA       ARG   9   5.159   1.326  -0.358
   33    HB3  ARG   9           2HB      ARG   9   6.952   3.758   0.014
   34    HG3  ARG   9           2HG      ARG   9   4.445   4.488  -1.190
   35    HD3  ARG   9           2HD      ARG   9   5.888   5.594  -2.837
   36    HE   ARG   9           HE       ARG   9   6.676   5.704   0.004
   37   HH11  ARG   9          2HH2      ARG   9   7.044   7.148  -3.210
   38   HH12  ARG   9          1HH2      ARG   9   7.610   8.667  -2.600
   39   HH22  ARG   9          1HH       ARG   9   7.825   8.974  -0.233
   40    H    ASN  10           H        ASN  10   5.929  -0.311  -1.909
   41    HA   ASN  10           HA       ASN  10   6.456  -0.876  -3.946
   42    HB3  ASN  10           2HB      ASN  10   6.462   0.710  -5.639
   43   HD21  ASN  10          1HD2      ASN  10   6.965   3.638  -4.537
   44   HD22  ASN  10          2HD2      ASN  10   5.414   4.097  -3.918
   45    H    CYS  11           H        CYS  11   8.820   1.749  -3.009
   46    HA   CYS  11           HA       CYS  11  10.870  -0.076  -2.421
   47    HB3  CYS  11           2HB      CYS  11  11.239   1.394  -5.038
   48    H    LYS  12           H        LYS  12   9.370   2.308  -1.423
   49    HA   LYS  12           HA       LYS  12  11.586   3.771  -0.465
   50    HB3  LYS  12           2HB      LYS  12  10.233   5.928  -1.593
   51    HG3  LYS  12           2HG      LYS  12  12.379   5.731  -3.206
   52    HD3  LYS  12           2HD      LYS  12  11.869   6.801  -0.596
   53    HE3  LYS  12           2HE      LYS  12  13.912   4.858  -0.415
   54    HZ1  LYS  12           1HZ      LYS  12  15.201   6.758  -1.636
   55    HZ2  LYS  12           2HZ      LYS  12  15.225   7.477  -0.175
   56    H    PHE  13           H        PHE  13  10.275   2.611   1.277
   57    HA   PHE  13           HA       PHE  13   7.926   2.741   2.176
   58    HB3  PHE  13           2HB      PHE  13  10.296   4.100   3.593
   59    HD1  PHE  13           HD1      PHE  13   6.843   3.043   3.880
   60    HD2  PHE  13           HD2      PHE  13  10.366   3.942   6.068
   61    HE1  PHE  13           HE1      PHE  13   5.484   3.260   5.979
   62    HE2  PHE  13           HE2      PHE  13   9.006   4.160   8.167
   63    HZ   PHE  13           HZ       PHE  13   6.582   3.816   8.097
   64    H    LEU  14           H        LEU  14   6.161   4.046   2.174
   65    HA   LEU  14           HA       LEU  14   6.542   6.851   1.643
   66    HB3  LEU  14           2HB      LEU  14   4.002   5.263   2.033
   67    HG   LEU  14           HG       LEU  14   2.817   7.054   1.469
   68   HD11  LEU  14          1HD1      LEU  14   3.920   9.310   1.608
   69   HD12  LEU  14          2HD1      LEU  14   4.190   8.243   3.007
   70   HD13  LEU  14          3HD1      LEU  14   5.475   8.464   1.795
   71   HD21  LEU  14          1HD2      LEU  14   4.199   8.497  -0.540
   72   HD22  LEU  14          2HD2      LEU  14   4.440   6.765  -0.874
   73   HD23  LEU  14          3HD2      LEU  14   2.792   7.419  -0.716
   74    H    LYS  15           H        LYS  15   3.911   5.778   3.753
   75    HA   LYS  15           HA       LYS  15   5.223   6.552   6.162
   76    HB3  LYS  15           2HB      LYS  15   4.755   8.761   5.003
   77    HG3  LYS  15           2HG      LYS  15   1.898   8.364   5.914
   78    HD3  LYS  15           2HD      LYS  15   3.478  10.281   4.217
   79    HE3  LYS  15           2HE      LYS  15   0.778   9.206   3.523
   80    HZ1  LYS  15           1HZ      LYS  15   1.166  11.973   4.189
   81    HZ2  LYS  15           2HZ      LYS  15   0.660  11.786   2.653
   82    H    GLU  16           H        GLU  16   4.554   4.600   7.032
   83    HA   GLU  16           HA       GLU  16   2.687   2.996   6.835
   84    HB3  GLU  16           2HB      GLU  16   2.101   3.403   9.466
   85    HG3  GLU  16           2HG      GLU  16   4.784   2.483   8.326
   86    HE2  GLU  16           HE       GLU  16   4.558   3.792  11.016
   87    H    GLY  17           H        GLY  17   0.895   3.586   5.540
   88    HA2  GLY  17           1HA      GLY  17  -1.506   4.102   6.687
   89    HA3  GLY  17           2HA      GLY  17  -0.876   5.705   6.368
   90    H    THR  18           H        THR  18   0.748   4.523   3.995
   91    HA   THR  18           HA       THR  18  -0.729   5.338   1.916
   92    HB   THR  18           HB       THR  18   0.646   3.111   0.908
   93    HG1  THR  18           HG1      THR  18   2.588   3.791   2.617
   94   HG21  THR  18          1HG2      THR  18   0.947   5.844   0.746
   95   HG22  THR  18          2HG2      THR  18   2.357   5.417   1.746
   96   HG23  THR  18          3HG2      THR  18   2.156   4.688   0.135
   97    H    ILE  19           H        ILE  19  -1.081   3.192   0.076
   98    HA   ILE  19           HA       ILE  19  -2.742   1.187   1.048
   99    HB   ILE  19           HB       ILE  19  -4.506   2.414   1.658
  100   HG13  ILE  19          2HG1      ILE  19  -5.919   1.577   0.156
  101   HG21  ILE  19          1HG2      ILE  19  -3.691   4.573   1.662
  102   HG22  ILE  19          2HG2      ILE  19  -3.343   4.564  -0.084
  103   HG23  ILE  19          3HG2      ILE  19  -5.024   4.687   0.489
  104   HD11  ILE  19          1HD1      ILE  19  -6.480   3.073  -1.861
  105   HD12  ILE  19          2HD1      ILE  19  -6.654   3.827  -0.258
  106   HD13  ILE  19          3HD1      ILE  19  -5.225   4.183  -1.259
  107    H    CYS  20           H        CYS  20  -2.836  -0.345  -0.531
  108    HA   CYS  20           HA       CYS  20  -1.429  -0.117  -2.828
  109    HB3  CYS  20           2HB      CYS  20  -3.626  -1.919  -1.922
  110    H    LYS  21           H        LYS  21  -4.927  -0.732  -3.288
  111    HA   LYS  21           HA       LYS  21  -5.061   1.689  -4.945
  112    HB3  LYS  21           2HB      LYS  21  -6.602   0.257  -6.432
  113    HG3  LYS  21           2HG      LYS  21  -3.598  -0.265  -6.257
  114    HD3  LYS  21           2HD      LYS  21  -4.409  -0.422  -8.935
  115    HE3  LYS  21           2HE      LYS  21  -2.825  -1.887  -7.321
  116    HZ1  LYS  21           1HZ      LYS  21  -3.856  -3.654  -6.414
  117    HZ2  LYS  21           2HZ      LYS  21  -5.290  -2.957  -6.743
  118    H    ARG  22           H        ARG  22  -6.803   2.990  -4.569
  119    HA   ARG  22           HA       ARG  22  -8.370   2.382  -2.328
  120    HB3  ARG  22           2HB      ARG  22  -8.676   4.573  -4.444
  121    HG3  ARG  22           2HG      ARG  22 -10.717   4.748  -3.344
  122    HD3  ARG  22           2HD      ARG  22 -10.341   2.731  -1.893
  123    HE   ARG  22           HE       ARG  22  -8.329   3.151  -0.660
  124   HH11  ARG  22          2HH2      ARG  22 -10.911   5.412   0.220
  125   HH12  ARG  22          1HH2      ARG  22 -10.124   5.939   1.671
  126   HH22  ARG  22          1HH       ARG  22  -7.998   5.005   2.259
  127    H    ALA  23           H        ALA  23  -9.000   0.190  -3.580
  128    HA   ALA  23           HA       ALA  23 -10.573  -0.153  -5.644
  129    HB1  ALA  23           1HB      ALA  23 -11.975  -1.519  -3.614
  130    HB2  ALA  23           2HB      ALA  23 -10.623  -2.139  -4.590
  131    HB3  ALA  23           3HB      ALA  23 -10.306  -1.371  -3.016
  132    H    ARG  24           H        ARG  24 -11.894   0.983  -2.449
  133    HA   ARG  24           HA       ARG  24 -14.435   1.273  -3.006
  134    HB3  ARG  24           2HB      ARG  24 -14.068   3.674  -1.738
  135    HG3  ARG  24           2HG      ARG  24 -13.812   0.837  -0.673
  136    HD3  ARG  24           2HD      ARG  24 -14.123   1.777   1.606
  137    HE   ARG  24           HE       ARG  24 -11.684   2.278   0.072
  138   HH11  ARG  24          2HH2      ARG  24 -13.186   2.588   3.266
  139   HH12  ARG  24          1HH2      ARG  24 -11.673   2.623   4.110
  140   HH22  ARG  24          1HH       ARG  24  -9.631   2.466   2.868
  141    H    GLY  25           H        GLY  25 -11.808   2.994  -4.580
  142    HA2  GLY  25           1HA      GLY  25 -13.693   4.240  -6.411
  143    HA3  GLY  25           2HA      GLY  25 -12.711   5.341  -5.465
  144    H    ASP  26           H        ASP  26 -10.268   3.898  -5.265
  145    HA   ASP  26           HA       ASP  26  -9.479   2.927  -7.769
  146    HB3  ASP  26           2HB      ASP  26  -9.152   4.951  -8.784
  147    HD2  ASP  26           HD       ASP  26 -10.046   7.954  -7.444
  148    H    ASP  27           H        ASP  27  -7.411   5.205  -5.949
  149    HA   ASP  27           HA       ASP  27  -6.565   3.364  -4.017
  150    HB3  ASP  27           2HB      ASP  27  -5.493   2.643  -6.361
  151    HD2  ASP  27           HD       ASP  27  -3.863   5.517  -7.435
  152    H    MET  28           H        MET  28  -4.794   4.381  -2.657
  153    HA   MET  28           HA       MET  28  -4.689   7.251  -3.164
  154    HB3  MET  28           2HB      MET  28  -4.575   7.529  -0.745
  155    HG3  MET  28           2HG      MET  28  -6.472   5.828   0.030
  156    HE1  MET  28           1HE      MET  28  -8.228   8.185  -3.376
  157    HE2  MET  28           2HE      MET  28  -6.459   8.016  -3.500
  158    HE3  MET  28           3HE      MET  28  -7.484   6.568  -3.362
  159    H    ASP  29           H        ASP  29  -2.811   4.404  -1.946
  160    HA   ASP  29           HA       ASP  29  -0.488   5.431  -3.194
  161    HB3  ASP  29           2HB      ASP  29   0.891   5.440  -1.078
  162    HD2  ASP  29           HD       ASP  29  -0.866   6.864   0.803
  163    H    ASP  30           H        ASP  30   0.692   3.767  -0.561
  164    HA   ASP  30           HA       ASP  30  -0.289   1.195  -0.941
  165    HB3  ASP  30           2HB      ASP  30   0.797   0.819  -2.952
  166    HD2  ASP  30           HD       ASP  30   2.695   3.917  -2.029
  167    H    TYR  31           H        TYR  31  -0.119   0.979   1.335
  168    HA   TYR  31           HA       TYR  31   2.450   1.634   2.565
  169    HB3  TYR  31           2HB      TYR  31  -0.362   1.830   3.183
  170    HD1  TYR  31           HD2      TYR  31  -1.446  -0.369   3.444
  171    HD2  TYR  31           HD1      TYR  31   1.713   0.875   6.048
  172    HE1  TYR  31           HE2      TYR  31  -2.064  -2.210   5.084
  173    HE2  TYR  31           HE1      TYR  31   1.083  -0.970   7.681
  174    HH   TYR  31           HH       TYR  31  -1.497  -2.294   7.993
  175    H    CYS  32           H        CYS  32   3.459   0.118   4.077
  176    HA   CYS  32           HA       CYS  32   3.912  -2.337   3.053
  177    HB3  CYS  32           2HB      CYS  32   5.453  -1.925   4.626
  178    H    ASN  33           H        ASN  33   3.418  -4.439   4.708
  179    HA   ASN  33           HA       ASN  33   0.817  -4.466   5.747
  180    HB3  ASN  33           2HB      ASN  33   0.199  -4.522   3.328
  181   HD21  ASN  33          1HD2      ASN  33  -0.215  -6.674   1.802
  182   HD22  ASN  33          2HD2      ASN  33   1.254  -7.287   1.119
  183    H    GLY  34           H        GLY  34   3.656  -5.185   6.356
  184    HA2  GLY  34           1HA      GLY  34   4.902  -6.856   7.205
  185    HA3  GLY  34           2HA      GLY  34   3.378  -7.524   7.752
  186    H    LYS  35           H        LYS  35   3.687  -7.105   4.290
  187    HA   LYS  35           HA       LYS  35   4.517  -9.897   3.998
  188    HB3  LYS  35           2HB      LYS  35   2.417  -9.049   2.123
  189    HG3  LYS  35           2HG      LYS  35   1.538 -11.314   2.795
  190    HD3  LYS  35           2HD      LYS  35   3.857 -12.534   2.207
  191    HE3  LYS  35           2HE      LYS  35   3.398 -11.139  -0.191
  192    HZ1  LYS  35           1HZ      LYS  35   2.207 -13.574   0.991
  193    HZ2  LYS  35           2HZ      LYS  35   1.816 -13.103  -0.518
  194    H    THR  36           H        THR  36   3.859  -6.707   2.425
  195    HA   THR  36           HA       THR  36   6.414  -6.711   1.195
  196    HB   THR  36           HB       THR  36   4.273  -8.098  -0.183
  197    HG1  THR  36           HG1      THR  36   6.832  -7.100  -1.177
  198   HG21  THR  36          1HG2      THR  36   5.484  -5.808  -1.792
  199   HG22  THR  36          2HG2      THR  36   4.189  -6.928  -2.278
  200   HG23  THR  36          3HG2      THR  36   3.866  -5.668  -1.062
  201    H    CYS  37           H        CYS  37   6.500  -4.801  -0.482
  202    HA   CYS  37           HA       CYS  37   4.810  -2.690   0.649
  203    HB3  CYS  37           2HB      CYS  37   7.110  -2.455   1.391
  204    H    ASP  38           H        ASP  38   3.430  -3.716  -1.246
  205    HA   ASP  38           HA       ASP  38   4.022  -2.102  -3.572
  206    HB3  ASP  38           2HB      ASP  38   2.999  -4.935  -3.920
  207    HD2  ASP  38           HD       ASP  38   2.865  -4.997  -6.720
  208    H    CYS  39           H        CYS  39   2.221  -0.843  -2.495
  209    HA   CYS  39           HA       CYS  39   0.126  -0.194  -2.389
  210    HB3  CYS  39           2HB      CYS  39   0.155  -1.309  -4.771
  211    HA   PRO  40           HA       PRO  40  -0.567  -3.946   0.351
  212    HB3  PRO  40           2HB      PRO  40   1.491  -4.674   1.084
  213    HG3  PRO  40           2HG      PRO  40   3.251  -3.280   0.553
  214    HD3  PRO  40           2HD      PRO  40   2.377  -2.199  -1.278
  215    H    ARG  41           H        ARG  41  -2.160  -1.873   0.019
  216    HA   ARG  41           HA       ARG  41  -3.246  -1.634   2.548
  217    HB3  ARG  41           2HB      ARG  41  -1.822   0.879   1.534
  218    HG3  ARG  41           2HG      ARG  41  -4.111   0.506   3.329
  219    HD3  ARG  41           2HD      ARG  41  -1.555   1.752   4.433
  220    HE   ARG  41           HE       ARG  41  -3.879   3.090   4.675
  221   HH11  ARG  41          2HH2      ARG  41  -2.313   0.931   7.007
  222   HH12  ARG  41          1HH2      ARG  41  -2.980   1.737   8.388
  223   HH22  ARG  41          1HH       ARG  41  -4.417   3.627   8.064
  224    H    ASN  42           H        ASN  42  -4.733  -2.470   0.692
  225    HA   ASN  42           HA       ASN  42  -6.171  -0.160  -0.312
  226    HB3  ASN  42           2HB      ASN  42  -5.000  -0.877  -2.291
  227   HD21  ASN  42          1HD2      ASN  42  -4.045  -2.624  -0.272
  228   HD22  ASN  42          2HD2      ASN  42  -3.799  -4.195  -0.958
  229    HA   PRO  43           HA       PRO  43  -8.613  -3.642   1.589
  230    HB3  PRO  43           2HB      PRO  43  -7.907  -3.671   3.780
  231    HG3  PRO  43           2HG      PRO  43  -6.531  -1.917   4.372
  232    HD3  PRO  43           2HD      PRO  43  -5.679  -1.353   2.312
  233    H    HIS  44           H        HIS  44  -9.545  -2.332  -0.415
  234    HA   HIS  44           HA       HIS  44 -11.965  -1.082   0.670
  235    HB3  HIS  44           2HB      HIS  44 -11.838   0.594  -0.827
  236    HD1  HIS  44           HD1      HIS  44  -9.451   0.089   1.201
  237    HD2  HIS  44           HD2      HIS  44  -9.047   1.032  -2.867
  238    HE1  HIS  44           HE1      HIS  44  -7.133   1.123   0.932
  239    H    LYS  45           H        LYS  45 -12.715  -1.137  -2.421
  240    HA   LYS  45           HA       LYS  45 -14.641  -2.766  -2.646
  241    HB3  LYS  45           2HB      LYS  45 -13.908  -3.442  -4.949
  242    HG3  LYS  45           2HG      LYS  45 -13.325  -0.914  -5.578
  243    HD3  LYS  45           2HD      LYS  45 -15.666  -2.335  -5.378
  244    HE3  LYS  45           2HE      LYS  45 -15.878   0.074  -3.511
  245    HZ1  LYS  45           1HZ      LYS  45 -18.157  -1.650  -4.107
  246    HZ2  LYS  45           2HZ      LYS  45 -18.139  -0.062  -3.748
  247    H    GLY  46           H        GLY  46 -11.371  -4.261  -3.200
  248    HA2  GLY  46           1HA      GLY  46 -12.107  -6.503  -1.503
  249    HA3  GLY  46           2HA      GLY  46 -11.954  -6.865  -3.210
  250    HA   PRO  47           HA       PRO  47  -7.588  -5.711  -2.741
  251    HB3  PRO  47           2HB      PRO  47  -7.261  -3.706  -3.826
  252    HG3  PRO  47           2HG      PRO  47  -9.066  -2.272  -3.764
  253    HD3  PRO  47           2HD      PRO  47 -10.773  -3.778  -3.441
  254    H    ALA  48           H        ALA  48  -5.652  -4.622  -1.255
  255    HA   ALA  48           HA       ALA  48  -5.554  -4.004   1.157
  256    HB1  ALA  48           1HB      ALA  48  -7.168  -6.576   1.228
  257    HB2  ALA  48           2HB      ALA  48  -6.303  -5.945   2.651
  258    HB3  ALA  48           3HB      ALA  48  -7.599  -4.984   1.900
  259    H    THR  49           H        THR  49  -3.361  -4.041   0.560
  260    HA   THR  49           HA       THR  49  -2.140  -6.723   0.641
  261    HB   THR  49           HB       THR  49  -1.532  -4.263  -1.068
  262    HG1  THR  49           HG1      THR  49  -1.961  -7.130  -1.529
  263   HG21  THR  49          1HG2      THR  49   0.162  -6.692  -0.385
  264   HG22  THR  49          2HG2      THR  49   0.230  -6.001  -2.024
  265   HG23  THR  49          3HG2      THR  49   0.679  -5.004  -0.619
  Start of MODEL    9
    1    H2   GLU   1           1H       GLU   1   7.477  -2.418  -4.433
    2    HA   GLU   1           HA       GLU   1   7.400  -4.376  -2.833
    3    HB3  GLU   1           2HB      GLU   1   7.555  -5.753  -5.549
    4    HG3  GLU   1           2HG      GLU   1   8.034  -6.765  -2.716
    5    HE2  GLU   1           HE       GLU   1   8.230  -8.299  -5.849
    6    H    CYS   2           H        CYS   2   9.159  -2.734  -2.507
    7    HA   CYS   2           HA       CYS   2  11.336  -2.283  -3.919
    8    HB3  CYS   2           2HB      CYS   2  11.258  -2.889  -0.957
    9    H    GLU   3           H        GLU   3  10.948  -5.138  -1.687
   10    HA   GLU   3           HA       GLU   3  12.496  -6.694  -3.536
   11    HB3  GLU   3           2HB      GLU   3  13.481  -7.105  -0.786
   12    HG3  GLU   3           2HG      GLU   3  14.810  -6.523  -3.475
   13    HE2  GLU   3           HE       GLU   3  15.320  -8.209  -0.570
   14    H    SER   4           H        SER   4  10.510  -6.333  -0.596
   15    HA   SER   4           HA       SER   4   8.730  -8.195  -1.073
   16    HB3  SER   4           2HB      SER   4  11.227  -9.532  -0.015
   17    HG   SER   4           HG       SER   4   8.617  -9.988   0.855
   18    H    GLY   5           H        GLY   5  10.655  -6.284   0.992
   19    HA2  GLY   5           1HA      GLY   5   9.244  -6.943   3.451
   20    HA3  GLY   5           2HA      GLY   5  10.536  -5.779   3.235
   21    HA   PRO   6           HA       PRO   6   6.241  -3.858   2.777
   22    HB3  PRO   6           2HB      PRO   6   4.667  -5.030   3.981
   23    HG3  PRO   6           2HG      PRO   6   5.532  -6.643   5.384
   24    HD3  PRO   6           2HD      PRO   6   7.538  -7.059   4.339
   25    H    CYS   7           H        CYS   7   5.503  -1.700   3.456
   26    HA   CYS   7           HA       CYS   7   5.846   0.270   4.428
   27    HB3  CYS   7           2HB      CYS   7   7.827   0.594   6.014
   28    H    CYS   8           H        CYS   8   6.359   0.141   1.888
   29    HA   CYS   8           HA       CYS   8   8.438   1.903   1.414
   30    HB3  CYS   8           2HB      CYS   8  10.191   0.500   1.545
   31    H    ARG   9           H        ARG   9   6.550   2.808   0.338
   32    HA   ARG   9           HA       ARG   9   4.799   1.757  -1.257
   33    HB3  ARG   9           2HB      ARG   9   5.295   4.255  -0.823
   34    HG3  ARG   9           2HG      ARG   9   6.480   5.416  -2.703
   35    HD3  ARG   9           2HD      ARG   9   8.839   4.213  -2.148
   36    HE   ARG   9           HE       ARG   9   7.669   5.549   0.194
   37   HH11  ARG   9          2HH2      ARG   9   9.039   6.013  -3.041
   38   HH12  ARG   9          1HH2      ARG   9   9.459   7.669  -2.760
   39   HH22  ARG   9          1HH       ARG   9   8.970   8.660  -0.634
   40    H    ASN  10           H        ASN  10   8.272   2.067  -2.009
   41    HA   ASN  10           HA       ASN  10   7.891   0.249  -4.188
   42    HB3  ASN  10           2HB      ASN  10   7.735   2.704  -5.084
   43   HD21  ASN  10          1HD2      ASN  10   8.481   4.542  -4.309
   44   HD22  ASN  10          2HD2      ASN  10  10.144   4.993  -4.133
   45    H    CYS  11           H        CYS  11  10.055   2.456  -2.298
   46    HA   CYS  11           HA       CYS  11  11.678   0.528  -1.293
   47    HB3  CYS  11           2HB      CYS  11  13.319   1.694  -3.477
   48    H    LYS  12           H        LYS  12  10.529   2.782  -0.282
   49    HA   LYS  12           HA       LYS  12  12.708   4.203   0.744
   50    HB3  LYS  12           2HB      LYS  12  11.270   6.310  -0.602
   51    HG3  LYS  12           2HG      LYS  12  14.155   5.305  -0.698
   52    HD3  LYS  12           2HD      LYS  12  12.810   7.819  -1.757
   53    HE3  LYS  12           2HE      LYS  12  15.666   7.412  -0.806
   54    HZ1  LYS  12           1HZ      LYS  12  16.450   8.716  -2.456
   55    HZ2  LYS  12           2HZ      LYS  12  15.100   8.360  -3.295
   56    H    PHE  13           H        PHE  13  10.303   2.668   1.500
   57    HA   PHE  13           HA       PHE  13   8.419   2.841   2.698
   58    HB3  PHE  13           2HB      PHE  13   9.913   4.978   4.271
   59    HD1  PHE  13           HD1      PHE  13   7.041   3.911   4.433
   60    HD2  PHE  13           HD2      PHE  13  10.638   2.750   6.361
   61    HE1  PHE  13           HE1      PHE  13   5.716   3.025   6.373
   62    HE2  PHE  13           HE2      PHE  13   9.314   1.864   8.300
   63    HZ   PHE  13           HZ       PHE  13   6.868   2.013   8.283
   64    H    LEU  14           H        LEU  14   6.483   3.788   2.288
   65    HA   LEU  14           HA       LEU  14   6.413   6.460   1.289
   66    HB3  LEU  14           2HB      LEU  14   3.928   5.030   2.052
   67    HG   LEU  14           HG       LEU  14   3.337   5.516  -0.339
   68   HD11  LEU  14          1HD1      LEU  14   3.169   7.111   1.883
   69   HD12  LEU  14          2HD1      LEU  14   3.934   8.198   0.700
   70   HD13  LEU  14          3HD1      LEU  14   2.376   7.426   0.322
   71   HD21  LEU  14          1HD2      LEU  14   4.782   6.348  -1.814
   72   HD22  LEU  14          2HD2      LEU  14   5.321   7.618  -0.688
   73   HD23  LEU  14          3HD2      LEU  14   6.059   5.999  -0.624
   74    H    LYS  15           H        LYS  15   3.650   5.977   3.196
   75    HA   LYS  15           HA       LYS  15   4.807   7.237   5.547
   76    HB3  LYS  15           2HB      LYS  15   3.523   9.182   5.476
   77    HG3  LYS  15           2HG      LYS  15   3.899   8.903   2.494
   78    HD3  LYS  15           2HD      LYS  15   5.139  11.122   2.988
   79    HE3  LYS  15           2HE      LYS  15   2.176  10.933   3.720
   80    HZ1  LYS  15           1HZ      LYS  15   2.383  13.151   3.894
   81    HZ2  LYS  15           2HZ      LYS  15   3.953  13.136   3.463
   82    H    GLU  16           H        GLU  16   4.353   5.139   6.480
   83    HA   GLU  16           HA       GLU  16   2.568   3.465   6.585
   84    HB3  GLU  16           2HB      GLU  16   2.098   4.177   9.201
   85    HG3  GLU  16           2HG      GLU  16   4.813   3.199   8.222
   86    HE2  GLU  16           HE       GLU  16   2.688   1.389   9.984
   87    H    GLY  17           H        GLY  17   0.724   3.942   5.268
   88    HA2  GLY  17           1HA      GLY  17  -1.670   4.358   6.456
   89    HA3  GLY  17           2HA      GLY  17  -1.139   5.988   6.092
   90    H    THR  18           H        THR  18   0.491   4.504   3.746
   91    HA   THR  18           HA       THR  18  -1.047   5.313   1.650
   92    HB   THR  18           HB       THR  18   0.372   3.039   0.754
   93    HG1  THR  18           HG1      THR  18   1.973   4.420   2.715
   94   HG21  THR  18          1HG2      THR  18   2.163   5.307   1.182
   95   HG22  THR  18          2HG2      THR  18   1.522   4.674  -0.353
   96   HG23  THR  18          3HG2      THR  18   0.592   5.878   0.571
   97    H    ILE  19           H        ILE  19  -1.262   2.922  -0.020
   98    HA   ILE  19           HA       ILE  19  -2.840   0.948   1.002
   99    HB   ILE  19           HB       ILE  19  -4.623   2.075   1.735
  100   HG13  ILE  19          2HG1      ILE  19  -6.185   1.320   0.352
  101   HG21  ILE  19          1HG2      ILE  19  -5.292   4.330   0.453
  102   HG22  ILE  19          2HG2      ILE  19  -4.089   4.277   1.764
  103   HG23  ILE  19          3HG2      ILE  19  -3.554   4.291   0.067
  104   HD11  ILE  19          1HD1      ILE  19  -6.750   3.586  -0.285
  105   HD12  ILE  19          2HD1      ILE  19  -5.357   3.681  -1.390
  106   HD13  ILE  19          3HD1      ILE  19  -6.730   2.614  -1.776
  107    H    CYS  20           H        CYS  20  -2.377  -0.515  -0.543
  108    HA   CYS  20           HA       CYS  20  -1.304  -0.375  -2.843
  109    HB3  CYS  20           2HB      CYS  20  -3.701  -1.985  -2.068
  110    H    LYS  21           H        LYS  21  -4.842  -0.643  -3.367
  111    HA   LYS  21           HA       LYS  21  -4.879   1.927  -4.722
  112    HB3  LYS  21           2HB      LYS  21  -5.949   0.789  -6.738
  113    HG3  LYS  21           2HG      LYS  21  -3.084  -0.117  -6.462
  114    HD3  LYS  21           2HD      LYS  21  -4.355   1.703  -8.542
  115    HE3  LYS  21           2HE      LYS  21  -2.096  -0.343  -8.742
  116    HZ1  LYS  21           1HZ      LYS  21  -1.786   1.458 -10.689
  117    HZ2  LYS  21           2HZ      LYS  21  -2.623   0.077 -10.904
  118    H    ARG  22           H        ARG  22  -6.373   2.780  -3.300
  119    HA   ARG  22           HA       ARG  22  -8.345   1.465  -2.045
  120    HB3  ARG  22           2HB      ARG  22  -8.031   4.309  -3.017
  121    HG3  ARG  22           2HG      ARG  22 -10.552   3.474  -3.072
  122    HD3  ARG  22           2HD      ARG  22 -10.700   2.371  -0.929
  123    HE   ARG  22           HE       ARG  22  -8.886   3.318   0.368
  124   HH11  ARG  22          2HH2      ARG  22 -11.678   5.481   0.084
  125   HH12  ARG  22          1HH2      ARG  22 -11.198   6.478   1.417
  126   HH22  ARG  22          1HH       ARG  22  -9.181   5.960   2.603
  127    H    ALA  23           H        ALA  23  -9.473  -0.106  -3.294
  128    HA   ALA  23           HA       ALA  23 -10.634   0.613  -5.807
  129    HB1  ALA  23           1HB      ALA  23 -11.187  -1.654  -5.953
  130    HB2  ALA  23           2HB      ALA  23  -9.737  -1.689  -4.921
  131    HB3  ALA  23           3HB      ALA  23 -11.353  -1.832  -4.190
  132    H    ARG  24           H        ARG  24 -12.185  -0.726  -2.806
  133    HA   ARG  24           HA       ARG  24 -14.623  -0.463  -2.982
  134    HB3  ARG  24           2HB      ARG  24 -13.200  -0.297  -0.793
  135    HG3  ARG  24           2HG      ARG  24 -14.041   2.619  -1.147
  136    HD3  ARG  24           2HD      ARG  24 -14.120   1.445   1.224
  137    HE   ARG  24           HE       ARG  24 -11.560   0.698   0.669
  138   HH11  ARG  24          2HH2      ARG  24 -12.817   3.102   2.948
  139   HH12  ARG  24          1HH2      ARG  24 -11.499   2.921   4.058
  140   HH22  ARG  24          1HH       ARG  24  -9.751   1.361   3.559
  141    H    GLY  25           H        GLY  25 -12.576   2.506  -3.120
  142    HA2  GLY  25           1HA      GLY  25 -14.862   3.923  -4.344
  143    HA3  GLY  25           2HA      GLY  25 -13.871   4.671  -3.107
  144    H    ASP  26           H        ASP  26 -11.530   5.010  -3.541
  145    HA   ASP  26           HA       ASP  26 -10.845   4.797  -6.342
  146    HB3  ASP  26           2HB      ASP  26 -10.399   7.070  -6.651
  147    HD2  ASP  26           HD       ASP  26 -12.681   7.549  -3.695
  148    H    ASP  27           H        ASP  27  -8.862   3.727  -6.309
  149    HA   ASP  27           HA       ASP  27  -7.434   3.038  -4.214
  150    HB3  ASP  27           2HB      ASP  27  -7.067   2.688  -6.814
  151    HD2  ASP  27           HD       ASP  27  -7.215   5.057  -7.358
  152    H    MET  28           H        MET  28  -5.552   3.890  -3.033
  153    HA   MET  28           HA       MET  28  -5.372   6.793  -3.237
  154    HB3  MET  28           2HB      MET  28  -4.643   6.678  -0.840
  155    HG3  MET  28           2HG      MET  28  -6.775   5.386   0.052
  156    HE1  MET  28           1HE      MET  28  -7.374   6.892  -3.195
  157    HE2  MET  28           2HE      MET  28  -8.247   8.409  -2.871
  158    HE3  MET  28           3HE      MET  28  -6.470   8.410  -2.980
  159    H    ASP  29           H        ASP  29  -3.131   4.615  -1.483
  160    HA   ASP  29           HA       ASP  29  -1.117   5.273  -3.482
  161    HB3  ASP  29           2HB      ASP  29   0.536   5.419  -1.575
  162    HD2  ASP  29           HD       ASP  29  -0.331   7.728   0.332
  163    H    ASP  30           H        ASP  30   0.280   3.755  -0.791
  164    HA   ASP  30           HA       ASP  30  -0.638   1.163  -0.975
  165    HB3  ASP  30           2HB      ASP  30   0.233   0.741  -3.094
  166    HD2  ASP  30           HD       ASP  30   1.757   3.737  -2.206
  167    H    TYR  31           H        TYR  31  -0.201   0.957   1.252
  168    HA   TYR  31           HA       TYR  31   2.487   1.703   2.159
  169    HB3  TYR  31           2HB      TYR  31  -0.187   2.138   3.054
  170    HD1  TYR  31           HD2      TYR  31  -1.188  -0.238   3.250
  171    HD2  TYR  31           HD1      TYR  31   1.728   1.319   5.966
  172    HE1  TYR  31           HE2      TYR  31  -1.856  -1.981   4.977
  173    HE2  TYR  31           HE1      TYR  31   1.050  -0.429   7.684
  174    HH   TYR  31           HH       TYR  31  -0.321  -2.022   8.182
  175    H    CYS  32           H        CYS  32   3.298   0.270   4.057
  176    HA   CYS  32           HA       CYS  32   3.747  -2.263   3.082
  177    HB3  CYS  32           2HB      CYS  32   5.346  -1.756   4.576
  178    H    ASN  33           H        ASN  33   3.238  -4.239   4.869
  179    HA   ASN  33           HA       ASN  33   0.632  -4.089   5.934
  180    HB3  ASN  33           2HB      ASN  33  -0.016  -4.425   3.572
  181   HD21  ASN  33          1HD2      ASN  33  -0.342  -6.885   2.376
  182   HD22  ASN  33          2HD2      ASN  33   1.148  -7.422   1.675
  183    H    GLY  34           H        GLY  34   3.485  -4.778   6.609
  184    HA2  GLY  34           1HA      GLY  34   4.632  -6.305   7.792
  185    HA3  GLY  34           2HA      GLY  34   3.091  -7.022   8.215
  186    H    LYS  35           H        LYS  35   3.596  -6.808   4.789
  187    HA   LYS  35           HA       LYS  35   4.696  -9.521   4.725
  188    HB3  LYS  35           2HB      LYS  35   2.348  -8.667   3.018
  189    HG3  LYS  35           2HG      LYS  35   4.072 -11.063   3.301
  190    HD3  LYS  35           2HD      LYS  35   1.045 -11.411   3.090
  191    HE3  LYS  35           2HE      LYS  35   2.854 -13.702   3.676
  192    HZ1  LYS  35           1HZ      LYS  35   1.226 -14.161   1.508
  193    HZ2  LYS  35           2HZ      LYS  35   0.899 -14.588   3.046
  194    H    THR  36           H        THR  36   3.589  -6.786   2.594
  195    HA   THR  36           HA       THR  36   6.283  -6.664   1.496
  196    HB   THR  36           HB       THR  36   5.071  -8.331   0.083
  197    HG1  THR  36           HG1      THR  36   6.536  -6.618  -0.804
  198   HG21  THR  36          1HG2      THR  36   3.113  -6.002  -0.259
  199   HG22  THR  36          2HG2      THR  36   3.206  -7.376  -1.387
  200   HG23  THR  36          3HG2      THR  36   2.732  -7.646   0.308
  201    H    CYS  37           H        CYS  37   6.155  -4.805  -0.359
  202    HA   CYS  37           HA       CYS  37   4.520  -2.666   0.781
  203    HB3  CYS  37           2HB      CYS  37   6.732  -2.397   1.714
  204    H    ASP  38           H        ASP  38   3.318  -3.725  -1.227
  205    HA   ASP  38           HA       ASP  38   4.087  -2.101  -3.497
  206    HB3  ASP  38           2HB      ASP  38   4.940  -4.457  -3.839
  207    HD2  ASP  38           HD       ASP  38   1.740  -6.373  -4.759
  208    H    CYS  39           H        CYS  39   2.137  -1.163  -1.962
  209    HA   CYS  39           HA       CYS  39   0.053  -0.396  -2.311
  210    HB3  CYS  39           2HB      CYS  39   0.215  -1.807  -4.585
  211    HA   PRO  40           HA       PRO  40  -0.698  -4.029   0.600
  212    HB3  PRO  40           2HB      PRO  40   1.328  -4.873   1.296
  213    HG3  PRO  40           2HG      PRO  40   3.159  -3.613   0.680
  214    HD3  PRO  40           2HD      PRO  40   2.305  -2.523  -1.155
  215    H    ARG  41           H        ARG  41  -2.413  -2.251   0.407
  216    HA   ARG  41           HA       ARG  41  -3.284  -1.753   2.916
  217    HB3  ARG  41           2HB      ARG  41  -1.762   0.635   1.758
  218    HG3  ARG  41           2HG      ARG  41  -4.032   0.474   3.686
  219    HD3  ARG  41           2HD      ARG  41  -2.731   2.699   4.664
  220    HE   ARG  41           HE       ARG  41  -2.203   0.210   6.133
  221   HH11  ARG  41          2HH2      ARG  41  -4.655   2.619   5.273
  222   HH12  ARG  41          1HH2      ARG  41  -5.676   2.242   6.621
  223   HH22  ARG  41          1HH       ARG  41  -5.007   0.530   8.159
  224    H    ASN  42           H        ASN  42  -4.490  -2.622   0.618
  225    HA   ASN  42           HA       ASN  42  -6.174  -0.348  -0.063
  226    HB3  ASN  42           2HB      ASN  42  -4.783  -0.808  -2.035
  227   HD21  ASN  42          1HD2      ASN  42  -4.020  -2.886  -0.279
  228   HD22  ASN  42          2HD2      ASN  42  -3.830  -4.352  -1.183
  229    HA   PRO  43           HA       PRO  43  -8.315  -4.263   1.309
  230    HB3  PRO  43           2HB      PRO  43  -7.588  -4.580   3.471
  231    HG3  PRO  43           2HG      PRO  43  -6.342  -2.841   4.334
  232    HD3  PRO  43           2HD      PRO  43  -5.553  -1.901   2.389
  233    H    HIS  44           H        HIS  44  -9.350  -2.705  -0.466
  234    HA   HIS  44           HA       HIS  44 -11.725  -1.561   0.779
  235    HB3  HIS  44           2HB      HIS  44 -11.984  -0.243  -1.157
  236    HD1  HIS  44           HD1      HIS  44  -9.004  -1.030   0.792
  237    HD2  HIS  44           HD2      HIS  44 -10.015   1.755  -2.178
  238    HE1  HIS  44           HE1      HIS  44  -7.242   0.812   0.910
  239    H    LYS  45           H        LYS  45 -12.941  -1.837  -2.097
  240    HA   LYS  45           HA       LYS  45 -14.111  -4.437  -1.537
  241    HB3  LYS  45           2HB      LYS  45 -15.578  -2.488  -1.875
  242    HG3  LYS  45           2HG      LYS  45 -13.819  -1.781  -3.908
  243    HD3  LYS  45           2HD      LYS  45 -16.288  -2.126  -5.494
  244    HE3  LYS  45           2HE      LYS  45 -14.073  -3.277  -6.807
  245    HZ1  LYS  45           1HZ      LYS  45 -14.199  -1.299  -8.094
  246    HZ2  LYS  45           2HZ      LYS  45 -15.725  -1.539  -7.579
  247    H    GLY  46           H        GLY  46 -11.488  -4.775  -2.245
  248    HA2  GLY  46           1HA      GLY  46 -11.514  -6.593  -4.266
  249    HA3  GLY  46           2HA      GLY  46 -11.197  -5.080  -5.092
  250    HA   PRO  47           HA       PRO  47  -7.160  -4.908  -3.406
  251    HB3  PRO  47           2HB      PRO  47  -6.855  -2.635  -3.617
  252    HG3  PRO  47           2HG      PRO  47  -8.782  -1.382  -3.428
  253    HD3  PRO  47           2HD      PRO  47 -10.351  -2.956  -4.022
  254    H    ALA  48           H        ALA  48  -5.627  -4.455  -1.301
  255    HA   ALA  48           HA       ALA  48  -6.073  -4.749   1.157
  256    HB1  ALA  48           1HB      ALA  48  -7.371  -7.189  -0.085
  257    HB2  ALA  48           2HB      ALA  48  -6.788  -7.199   1.597
  258    HB3  ALA  48           3HB      ALA  48  -8.049  -6.045   1.099
  259    H    THR  49           H        THR  49  -3.814  -4.410   1.000
  260    HA   THR  49           HA       THR  49  -2.300  -6.901   0.821
  261    HB   THR  49           HB       THR  49  -1.833  -4.375  -0.843
  262    HG1  THR  49           HG1      THR  49  -3.303  -6.202  -1.517
  263   HG21  THR  49          1HG2      THR  49   0.096  -6.334   0.188
  264   HG22  THR  49          2HG2      THR  49  -0.032  -6.438  -1.584
  265   HG23  THR  49          3HG2      THR  49   0.396  -4.893  -0.812
  Start of MODEL   10
    1    H2   GLU   1           1H       GLU   1   7.665  -2.945  -4.902
    2    HA   GLU   1           HA       GLU   1   7.218  -3.586  -2.581
    3    HB3  GLU   1           2HB      GLU   1   5.881  -5.587  -3.095
    4    HG3  GLU   1           2HG      GLU   1   7.880  -7.550  -3.584
    5    HE2  GLU   1           HE       GLU   1   5.356  -8.791  -4.973
    6    H    CYS   2           H        CYS   2   9.293  -2.457  -3.987
    7    HA   CYS   2           HA       CYS   2  11.490  -2.452  -4.365
    8    HB3  CYS   2           2HB      CYS   2  11.535  -3.511  -1.532
    9    H    GLU   3           H        GLU   3  11.951  -5.101  -2.029
   10    HA   GLU   3           HA       GLU   3  12.482  -6.889  -4.266
   11    HB3  GLU   3           2HB      GLU   3  14.221  -7.211  -1.871
   12    HG3  GLU   3           2HG      GLU   3  15.730  -6.949  -4.238
   13    HE2  GLU   3           HE       GLU   3  15.402 -10.267  -4.598
   14    H    SER   4           H        SER   4  10.661  -6.239  -1.548
   15    HA   SER   4           HA       SER   4   9.049  -8.063  -1.261
   16    HB3  SER   4           2HB      SER   4  11.645  -9.488  -0.588
   17    HG   SER   4           HG       SER   4   9.837 -11.243  -0.098
   18    H    GLY   5           H        GLY   5  10.037  -5.585  -0.073
   19    HA2  GLY   5           1HA      GLY   5   9.711  -6.260   2.789
   20    HA3  GLY   5           2HA      GLY   5  10.869  -5.069   2.233
   21    HA   PRO   6           HA       PRO   6   6.417  -3.425   2.264
   22    HB3  PRO   6           2HB      PRO   6   4.988  -4.715   3.527
   23    HG3  PRO   6           2HG      PRO   6   6.028  -6.311   4.828
   24    HD3  PRO   6           2HD      PRO   6   7.984  -6.585   3.651
   25    H    CYS   7           H        CYS   7   5.573  -1.345   3.112
   26    HA   CYS   7           HA       CYS   7   5.873   0.589   4.188
   27    HB3  CYS   7           2HB      CYS   7   8.094   0.990   5.456
   28    H    CYS   8           H        CYS   8   5.973   0.758   1.647
   29    HA   CYS   8           HA       CYS   8   7.737   2.700   0.948
   30    HB3  CYS   8           2HB      CYS   8   9.283   0.514   1.195
   31    H    ARG   9           H        ARG   9   7.202   3.461  -1.186
   32    HA   ARG   9           HA       ARG   9   4.808   2.300  -2.176
   33    HB3  ARG   9           2HB      ARG   9   4.475   4.377  -3.086
   34    HG3  ARG   9           2HG      ARG   9   6.016   4.708  -0.889
   35    HD3  ARG   9           2HD      ARG   9   7.576   6.147  -3.085
   36    HE   ARG   9           HE       ARG   9   7.776   6.079  -0.121
   37   HH11  ARG   9          2HH2      ARG   9   9.171   7.139  -3.200
   38   HH12  ARG   9          1HH2      ARG   9  10.200   8.323  -2.469
   39   HH22  ARG   9          1HH       ARG   9  10.162   8.602  -0.088
   40    H    ASN  10           H        ASN  10   8.210   1.963  -2.757
   41    HA   ASN  10           HA       ASN  10   7.678   0.151  -4.871
   42    HB3  ASN  10           2HB      ASN  10   7.793   2.264  -6.176
   43   HD21  ASN  10          1HD2      ASN  10   8.131   3.755  -4.232
   44   HD22  ASN  10          2HD2      ASN  10   9.617   4.643  -4.179
   45    H    CYS  11           H        CYS  11   9.962   2.131  -2.910
   46    HA   CYS  11           HA       CYS  11  11.324   0.019  -1.850
   47    HB3  CYS  11           2HB      CYS  11  12.963   1.157  -4.115
   48    H    LYS  12           H        LYS  12  10.206   2.544  -1.119
   49    HA   LYS  12           HA       LYS  12  12.418   3.663   0.259
   50    HB3  LYS  12           2HB      LYS  12  11.471   5.981  -1.024
   51    HG3  LYS  12           2HG      LYS  12  13.945   5.291  -2.187
   52    HD3  LYS  12           2HD      LYS  12  13.599   6.539   0.570
   53    HE3  LYS  12           2HE      LYS  12  15.346   7.962  -1.219
   54    HZ1  LYS  12           1HZ      LYS  12  15.411   7.626   1.299
   55    HZ2  LYS  12           2HZ      LYS  12  16.172   6.213   1.020
   56    H    PHE  13           H        PHE  13  10.753   2.674   1.764
   57    HA   PHE  13           HA       PHE  13   8.427   2.917   2.458
   58    HB3  PHE  13           2HB      PHE  13  10.114   4.821   4.133
   59    HD1  PHE  13           HD1      PHE  13   7.112   3.953   4.100
   60    HD2  PHE  13           HD2      PHE  13  10.514   2.623   6.259
   61    HE1  PHE  13           HE1      PHE  13   5.625   3.188   5.972
   62    HE2  PHE  13           HE2      PHE  13   9.027   1.858   8.131
   63    HZ   PHE  13           HZ       PHE  13   6.600   2.149   7.965
   64    H    LEU  14           H        LEU  14   6.600   4.143   2.283
   65    HA   LEU  14           HA       LEU  14   6.913   6.831   1.279
   66    HB3  LEU  14           2HB      LEU  14   5.092   6.296   0.175
   67    HG   LEU  14           HG       LEU  14   5.759   3.853   0.635
   68   HD11  LEU  14          1HD1      LEU  14   5.110   2.899   2.526
   69   HD12  LEU  14          2HD1      LEU  14   4.253   4.383   3.007
   70   HD13  LEU  14          3HD1      LEU  14   3.409   3.136   2.060
   71   HD21  LEU  14          1HD2      LEU  14   3.968   3.078  -0.621
   72   HD22  LEU  14          2HD2      LEU  14   2.806   4.177   0.160
   73   HD23  LEU  14          3HD2      LEU  14   3.995   4.817  -0.999
   74    H    LYS  15           H        LYS  15   4.203   6.013   3.401
   75    HA   LYS  15           HA       LYS  15   5.328   7.173   5.733
   76    HB3  LYS  15           2HB      LYS  15   5.148   9.260   4.590
   77    HG3  LYS  15           2HG      LYS  15   2.628   8.060   3.561
   78    HD3  LYS  15           2HD      LYS  15   1.852  10.590   3.208
   79    HE3  LYS  15           2HE      LYS  15   1.392   9.196   5.887
   80    HZ1  LYS  15           1HZ      LYS  15  -0.722  10.321   5.742
   81    HZ2  LYS  15           2HZ      LYS  15   0.431  11.457   5.561
   82    H    GLU  16           H        GLU  16   4.557   5.113   6.498
   83    HA   GLU  16           HA       GLU  16   2.637   3.643   6.451
   84    HB3  GLU  16           2HB      GLU  16   1.992   4.025   8.957
   85    HG3  GLU  16           2HG      GLU  16   4.873   3.661   8.016
   86    HE2  GLU  16           HE       GLU  16   5.535   4.869   9.928
   87    H    GLY  17           H        GLY  17   0.585   3.627   5.652
   88    HA2  GLY  17           1HA      GLY  17  -1.705   4.343   6.263
   89    HA3  GLY  17           2HA      GLY  17  -1.108   5.989   6.208
   90    H    THR  18           H        THR  18   0.566   4.172   3.869
   91    HA   THR  18           HA       THR  18  -0.988   5.407   1.759
   92    HB   THR  18           HB       THR  18   1.142   3.848   0.711
   93    HG1  THR  18           HG1      THR  18   1.827   5.321   3.149
   94   HG21  THR  18          1HG2      THR  18   0.386   6.539   0.713
   95   HG22  THR  18          2HG2      THR  18   1.906   6.562   1.640
   96   HG23  THR  18          3HG2      THR  18   1.882   5.903  -0.013
   97    H    ILE  19           H        ILE  19  -2.963   4.350   1.650
   98    HA   ILE  19           HA       ILE  19  -3.165   1.544   1.705
   99    HB   ILE  19           HB       ILE  19  -5.213   2.246   2.118
  100   HG13  ILE  19          2HG1      ILE  19  -6.244   1.439   0.307
  101   HG21  ILE  19          1HG2      ILE  19  -4.470   4.839   0.745
  102   HG22  ILE  19          2HG2      ILE  19  -6.037   4.539   1.533
  103   HG23  ILE  19          3HG2      ILE  19  -4.538   4.506   2.493
  104   HD11  ILE  19          1HD1      ILE  19  -6.107   4.397  -0.386
  105   HD12  ILE  19          2HD1      ILE  19  -6.991   3.233  -1.402
  106   HD13  ILE  19          3HD1      ILE  19  -7.478   3.486   0.292
  107    H    CYS  20           H        CYS  20  -3.115  -0.001   0.096
  108    HA   CYS  20           HA       CYS  20  -1.561   0.342  -2.072
  109    HB3  CYS  20           2HB      CYS  20  -3.653  -1.606  -1.303
  110    H    LYS  21           H        LYS  21  -5.085  -0.262  -2.618
  111    HA   LYS  21           HA       LYS  21  -5.201   2.143  -4.266
  112    HB3  LYS  21           2HB      LYS  21  -6.183   0.926  -6.132
  113    HG3  LYS  21           2HG      LYS  21  -3.439   0.456  -5.141
  114    HD3  LYS  21           2HD      LYS  21  -4.660  -1.872  -6.008
  115    HE3  LYS  21           2HE      LYS  21  -4.128  -0.254  -8.367
  116    HZ1  LYS  21           1HZ      LYS  21  -2.628  -2.814  -8.210
  117    HZ2  LYS  21           2HZ      LYS  21  -2.771  -1.878  -9.536
  118    H    ARG  22           H        ARG  22  -6.890   3.326  -3.571
  119    HA   ARG  22           HA       ARG  22  -8.704   2.284  -1.756
  120    HB3  ARG  22           2HB      ARG  22  -8.788   4.810  -3.478
  121    HG3  ARG  22           2HG      ARG  22 -11.016   4.753  -2.813
  122    HD3  ARG  22           2HD      ARG  22 -10.950   2.532  -1.732
  123    HE   ARG  22           HE       ARG  22  -8.925   2.987  -0.256
  124   HH11  ARG  22          2HH2      ARG  22 -12.196   3.570   0.977
  125   HH12  ARG  22          1HH2      ARG  22 -11.739   3.374   2.636
  126   HH22  ARG  22          1HH       ARG  22  -9.457   2.878   3.174
  127    H    ALA  23           H        ALA  23  -9.064   0.331  -3.459
  128    HA   ALA  23           HA       ALA  23 -10.465   0.422  -5.715
  129    HB1  ALA  23           1HB      ALA  23 -11.781  -1.585  -4.298
  130    HB2  ALA  23           2HB      ALA  23 -10.246  -1.760  -5.182
  131    HB3  ALA  23           3HB      ALA  23 -10.233  -1.412  -3.435
  132    H    ARG  24           H        ARG  24 -12.035   0.480  -2.432
  133    HA   ARG  24           HA       ARG  24 -14.549   0.643  -2.951
  134    HB3  ARG  24           2HB      ARG  24 -14.423   2.837  -1.271
  135    HG3  ARG  24           2HG      ARG  24 -13.957  -0.118  -0.690
  136    HD3  ARG  24           2HD      ARG  24 -14.631   0.485   1.681
  137    HE   ARG  24           HE       ARG  24 -12.022   1.341   0.541
  138   HH11  ARG  24          2HH2      ARG  24 -13.889   0.397   3.400
  139   HH12  ARG  24          1HH2      ARG  24 -12.485   0.080   4.365
  140   HH22  ARG  24          1HH       ARG  24 -10.309   0.396   3.411
  141    H    GLY  25           H        GLY  25 -12.173   3.066  -3.985
  142    HA2  GLY  25           1HA      GLY  25 -14.257   4.384  -5.576
  143    HA3  GLY  25           2HA      GLY  25 -13.295   5.362  -4.485
  144    H    ASP  26           H        ASP  26 -10.741   4.600  -4.641
  145    HA   ASP  26           HA       ASP  26  -9.912   3.824  -7.196
  146    HB3  ASP  26           2HB      ASP  26  -9.526   6.775  -6.508
  147    HD2  ASP  26           HD       ASP  26  -7.276   7.238  -8.783
  148    H    ASP  27           H        ASP  27  -7.794   3.043  -6.901
  149    HA   ASP  27           HA       ASP  27  -6.644   2.685  -4.584
  150    HB3  ASP  27           2HB      ASP  27  -5.862   2.135  -7.054
  151    HD2  ASP  27           HD       ASP  27  -3.527   3.934  -5.464
  152    H    MET  28           H        MET  28  -4.949   3.770  -3.278
  153    HA   MET  28           HA       MET  28  -4.913   6.650  -3.753
  154    HB3  MET  28           2HB      MET  28  -4.645   6.853  -1.272
  155    HG3  MET  28           2HG      MET  28  -6.841   5.860  -0.558
  156    HE1  MET  28           1HE      MET  28  -7.365   9.491  -1.554
  157    HE2  MET  28           2HE      MET  28  -7.543   8.259  -0.282
  158    HE3  MET  28           3HE      MET  28  -5.935   8.612  -0.959
  159    H    ASP  29           H        ASP  29  -2.976   4.361  -1.696
  160    HA   ASP  29           HA       ASP  29  -0.651   5.116  -3.246
  161    HB3  ASP  29           2HB      ASP  29   0.653   5.664  -1.280
  162    HD2  ASP  29           HD       ASP  29  -1.341   8.016   0.532
  163    H    ASP  30           H        ASP  30   0.748   3.840  -0.628
  164    HA   ASP  30           HA       ASP  30  -0.210   1.161  -0.766
  165    HB3  ASP  30           2HB      ASP  30   1.201   0.535  -2.444
  166    HD2  ASP  30           HD       ASP  30   3.861   1.543  -3.568
  167    H    TYR  31           H        TYR  31  -0.249   0.860   1.478
  168    HA   TYR  31           HA       TYR  31   2.017   1.905   3.019
  169    HB3  TYR  31           2HB      TYR  31  -0.869   1.803   3.244
  170    HD1  TYR  31           HD1      TYR  31   1.274   0.958   6.179
  171    HD2  TYR  31           HD2      TYR  31  -2.082  -0.153   3.770
  172    HE1  TYR  31           HE1      TYR  31   0.654  -0.843   7.863
  173    HE2  TYR  31           HE2      TYR  31  -2.691  -1.951   5.462
  174    HH   TYR  31           HH       TYR  31  -2.232  -2.190   8.077
  175    H    CYS  32           H        CYS  32   3.516   0.527   3.832
  176    HA   CYS  32           HA       CYS  32   3.864  -1.997   3.204
  177    HB3  CYS  32           2HB      CYS  32   5.602  -1.257   4.438
  178    H    ASN  33           H        ASN  33   3.246  -4.113   3.991
  179    HA   ASN  33           HA       ASN  33   0.942  -4.049   5.772
  180    HB3  ASN  33           2HB      ASN  33   0.174  -4.469   3.441
  181   HD21  ASN  33          1HD2      ASN  33   0.004  -6.069   1.714
  182   HD22  ASN  33          2HD2      ASN  33   1.422  -6.902   1.174
  183    H    GLY  34           H        GLY  34   3.815  -4.486   6.350
  184    HA2  GLY  34           1HA      GLY  34   5.202  -5.929   7.374
  185    HA3  GLY  34           2HA      GLY  34   3.751  -6.692   7.993
  186    H    LYS  35           H        LYS  35   4.073  -6.560   4.500
  187    HA   LYS  35           HA       LYS  35   5.196  -9.257   4.458
  188    HB3  LYS  35           2HB      LYS  35   3.220  -9.343   2.512
  189    HG3  LYS  35           2HG      LYS  35   3.811 -10.568   5.143
  190    HD3  LYS  35           2HD      LYS  35   1.296  -9.703   5.190
  191    HE3  LYS  35           2HE      LYS  35   1.173 -11.094   2.805
  192    HZ1  LYS  35           1HZ      LYS  35   1.143 -13.061   4.751
  193    HZ2  LYS  35           2HZ      LYS  35  -0.416 -12.906   4.308
  194    H    THR  36           H        THR  36   3.972  -6.473   2.474
  195    HA   THR  36           HA       THR  36   6.526  -6.279   1.175
  196    HB   THR  36           HB       THR  36   5.424  -6.640  -1.130
  197    HG1  THR  36           HG1      THR  36   3.504  -7.789   0.773
  198   HG21  THR  36          1HG2      THR  36   5.184  -9.146   0.588
  199   HG22  THR  36          2HG2      THR  36   5.696  -9.018  -1.112
  200   HG23  THR  36          3HG2      THR  36   6.778  -8.466   0.188
  201    H    CYS  37           H        CYS  37   6.660  -4.381  -0.249
  202    HA   CYS  37           HA       CYS  37   4.702  -2.403   0.646
  203    HB3  CYS  37           2HB      CYS  37   7.209  -2.181   1.177
  204    H    ASP  38           H        ASP  38   3.284  -3.435  -1.115
  205    HA   ASP  38           HA       ASP  38   3.845  -2.038  -3.584
  206    HB3  ASP  38           2HB      ASP  38   3.061  -4.985  -3.385
  207    HD2  ASP  38           HD       ASP  38   4.682  -3.678  -6.173
  208    H    CYS  39           H        CYS  39   2.102  -0.813  -2.124
  209    HA   CYS  39           HA       CYS  39   0.024  -0.074  -2.072
  210    HB3  CYS  39           2HB      CYS  39  -0.033  -1.199  -4.461
  211    HA   PRO  40           HA       PRO  40  -0.626  -3.747   0.745
  212    HB3  PRO  40           2HB      PRO  40   1.446  -4.286   1.593
  213    HG3  PRO  40           2HG      PRO  40   3.120  -2.788   1.069
  214    HD3  PRO  40           2HD      PRO  40   2.249  -1.854  -0.842
  215    H    ARG  41           H        ARG  41  -2.299  -1.731   0.238
  216    HA   ARG  41           HA       ARG  41  -3.556  -1.508   2.693
  217    HB3  ARG  41           2HB      ARG  41  -2.375   1.137   1.710
  218    HG3  ARG  41           2HG      ARG  41  -3.961   0.306   4.180
  219    HD3  ARG  41           2HD      ARG  41  -2.394   2.864   3.603
  220    HE   ARG  41           HE       ARG  41  -4.337   3.748   4.636
  221   HH11  ARG  41          2HH2      ARG  41  -3.127   0.961   6.458
  222   HH12  ARG  41          1HH2      ARG  41  -4.125   1.274   7.839
  223   HH22  ARG  41          1HH       ARG  41  -5.603   3.161   7.817
  224    H    ASN  42           H        ASN  42  -4.939  -2.441   0.841
  225    HA   ASN  42           HA       ASN  42  -6.418  -0.236  -0.311
  226    HB3  ASN  42           2HB      ASN  42  -5.089  -0.891  -2.209
  227   HD21  ASN  42          1HD2      ASN  42  -4.253  -2.619  -0.060
  228   HD22  ASN  42          2HD2      ASN  42  -3.837  -4.157  -0.738
  229    HA   PRO  43           HA       PRO  43  -8.736  -3.882   1.455
  230    HB3  PRO  43           2HB      PRO  43  -8.107  -3.933   3.670
  231    HG3  PRO  43           2HG      PRO  43  -6.843  -2.128   4.354
  232    HD3  PRO  43           2HD      PRO  43  -5.948  -1.472   2.341
  233    H    HIS  44           H        HIS  44  -9.583  -2.383  -0.540
  234    HA   HIS  44           HA       HIS  44 -12.143  -1.388   0.481
  235    HB3  HIS  44           2HB      HIS  44 -12.057   0.377  -0.927
  236    HD1  HIS  44           HD1      HIS  44  -9.858  -0.010   1.294
  237    HD2  HIS  44           HD2      HIS  44  -9.109   1.092  -2.683
  238    HE1  HIS  44           HE1      HIS  44  -7.609   1.195   1.297
  239    H    LYS  45           H        LYS  45 -12.621  -1.293  -2.699
  240    HA   LYS  45           HA       LYS  45 -14.469  -3.003  -3.124
  241    HB3  LYS  45           2HB      LYS  45 -13.569  -3.468  -5.421
  242    HG3  LYS  45           2HG      LYS  45 -13.044  -0.823  -5.751
  243    HD3  LYS  45           2HD      LYS  45 -15.700  -0.592  -5.340
  244    HE3  LYS  45           2HE      LYS  45 -14.013  -1.508  -7.510
  245    HZ1  LYS  45           1HZ      LYS  45 -16.731  -2.681  -7.594
  246    HZ2  LYS  45           2HZ      LYS  45 -15.508  -2.933  -8.638
  247    H    GLY  46           H        GLY  46 -11.171  -4.336  -3.837
  248    HA2  GLY  46           1HA      GLY  46 -11.855  -6.729  -2.284
  249    HA3  GLY  46           2HA      GLY  46 -11.526  -6.914  -3.996
  250    HA   PRO  47           HA       PRO  47  -7.311  -5.538  -2.992
  251    HB3  PRO  47           2HB      PRO  47  -7.035  -3.401  -3.802
  252    HG3  PRO  47           2HG      PRO  47  -8.939  -2.099  -3.749
  253    HD3  PRO  47           2HD      PRO  47 -10.554  -3.735  -3.768
  254    H    ALA  48           H        ALA  48  -5.652  -4.375  -1.168
  255    HA   ALA  48           HA       ALA  48  -5.802  -4.097   1.276
  256    HB1  ALA  48           1HB      ALA  48  -7.123  -6.821   0.963
  257    HB2  ALA  48           2HB      ALA  48  -6.575  -6.145   2.516
  258    HB3  ALA  48           3HB      ALA  48  -7.864  -5.332   1.597
  259    H    THR  49           H        THR  49  -3.568  -3.918   0.923
  260    HA   THR  49           HA       THR  49  -2.152  -6.501   0.909
  261    HB   THR  49           HB       THR  49  -1.486  -3.912  -0.590
  262    HG1  THR  49           HG1      THR  49  -1.583  -6.163  -2.093
  263   HG21  THR  49          1HG2      THR  49  -0.010  -6.572  -0.280
  264   HG22  THR  49          2HG2      THR  49   0.261  -5.484  -1.663
  265   HG23  THR  49          3HG2      THR  49   0.638  -4.935  -0.013
  Start of MODEL   11
    1    H2   GLU   1           1H       GLU   1  11.686  -5.479   1.489
    2    HA   GLU   1           HA       GLU   1   9.915  -3.826   0.230
    3    HB3  GLU   1           2HB      GLU   1  11.958  -2.364  -0.185
    4    HG3  GLU   1           2HG      GLU   1  12.002  -3.613   2.591
    5    HE2  GLU   1           HE       GLU   1  12.742  -0.538   3.828
    6    H    CYS   2           H        CYS   2  10.068  -2.766  -1.952
    7    HA   CYS   2           HA       CYS   2  10.160  -2.822  -4.145
    8    HB3  CYS   2           2HB      CYS   2  11.985  -4.547  -5.109
    9    H    GLU   3           H        GLU   3  10.773  -6.193  -2.901
   10    HA   GLU   3           HA       GLU   3   8.222  -7.007  -3.836
   11    HB3  GLU   3           2HB      GLU   3   9.225  -8.875  -5.300
   12    HG3  GLU   3           2HG      GLU   3   9.754  -6.070  -6.364
   13    HE2  GLU   3           HE       GLU   3  10.624  -8.931  -7.739
   14    H    SER   4           H        SER   4   9.168  -6.914  -1.262
   15    HA   SER   4           HA       SER   4   8.616  -9.201  -0.156
   16    HB3  SER   4           2HB      SER   4  11.399  -9.398  -1.275
   17    HG   SER   4           HG       SER   4  12.040 -10.849   0.346
   18    H    GLY   5           H        GLY   5   8.067  -7.251   1.164
   19    HA2  GLY   5           1HA      GLY   5   9.106  -6.981   3.544
   20    HA3  GLY   5           2HA      GLY   5  10.311  -6.082   2.644
   21    HA   PRO   6           HA       PRO   6   6.134  -3.786   2.767
   22    HB3  PRO   6           2HB      PRO   6   4.400  -4.921   3.771
   23    HG3  PRO   6           2HG      PRO   6   5.041  -6.759   5.009
   24    HD3  PRO   6           2HD      PRO   6   7.044  -7.254   3.996
   25    H    CYS   7           H        CYS   7   6.064  -1.601   3.120
   26    HA   CYS   7           HA       CYS   7   6.385   0.184   4.566
   27    HB3  CYS   7           2HB      CYS   7   8.204   0.224   6.219
   28    H    CYS   8           H        CYS   8   6.863   0.134   1.964
   29    HA   CYS   8           HA       CYS   8   8.988   1.836   1.567
   30    HB3  CYS   8           2HB      CYS   8  10.272  -0.332   2.025
   31    H    ARG   9           H        ARG   9   6.326   1.903   0.907
   32    HA   ARG   9           HA       ARG   9   4.921   1.148  -0.864
   33    HB3  ARG   9           2HB      ARG   9   4.424   3.365  -1.049
   34    HG3  ARG   9           2HG      ARG   9   7.012   3.486   0.162
   35    HD3  ARG   9           2HD      ARG   9   6.752   5.120  -2.334
   36    HE   ARG   9           HE       ARG   9   7.151   6.413   0.247
   37   HH11  ARG   9          2HH2      ARG   9   8.127   6.495  -3.158
   38   HH12  ARG   9          1HH2      ARG   9   8.564   8.172  -3.121
   39   HH22  ARG   9          1HH       ARG   9   8.320   9.403  -1.080
   40    H    ASN  10           H        ASN  10   8.004   2.567  -2.209
   41    HA   ASN  10           HA       ASN  10   7.952   0.419  -4.167
   42    HB3  ASN  10           2HB      ASN  10   7.161   2.790  -5.019
   43   HD21  ASN  10          1HD2      ASN  10   8.169   4.195  -3.285
   44   HD22  ASN  10          2HD2      ASN  10   9.545   5.147  -3.731
   45    H    CYS  11           H        CYS  11   9.440   0.420  -1.748
   46    HA   CYS  11           HA       CYS  11  11.503  -0.102  -1.134
   47    HB3  CYS  11           2HB      CYS  11  13.208  -0.467  -2.589
   48    H    LYS  12           H        LYS  12  10.062   2.406  -0.674
   49    HA   LYS  12           HA       LYS  12  12.347   4.033   0.068
   50    HB3  LYS  12           2HB      LYS  12  10.030   5.301  -1.403
   51    HG3  LYS  12           2HG      LYS  12  11.832   6.473   0.240
   52    HD3  LYS  12           2HD      LYS  12  13.478   5.512  -1.851
   53    HE3  LYS  12           2HE      LYS  12  12.742   8.440  -2.182
   54    HZ1  LYS  12           1HZ      LYS  12  15.082   7.678  -3.598
   55    HZ2  LYS  12           2HZ      LYS  12  14.874   8.955  -2.610
   56    H    PHE  13           H        PHE  13   8.839   3.289   0.177
   57    HA   PHE  13           HA       PHE  13   7.523   3.122   1.969
   58    HB3  PHE  13           2HB      PHE  13   9.642   4.575   3.632
   59    HD1  PHE  13           HD1      PHE  13   6.457   3.347   3.550
   60    HD2  PHE  13           HD2      PHE  13  10.016   2.942   5.825
   61    HE1  PHE  13           HE1      PHE  13   5.107   2.590   5.527
   62    HE2  PHE  13           HE2      PHE  13   8.667   2.186   7.802
   63    HZ   PHE  13           HZ       PHE  13   6.229   2.019   7.629
   64    H    LEU  14           H        LEU  14   5.786   4.454   2.229
   65    HA   LEU  14           HA       LEU  14   6.238   7.289   1.784
   66    HB3  LEU  14           2HB      LEU  14   3.537   6.069   2.142
   67    HG   LEU  14           HG       LEU  14   2.767   7.618   0.613
   68   HD11  LEU  14          1HD1      LEU  14   4.184   8.566   2.753
   69   HD12  LEU  14          2HD1      LEU  14   4.889   9.494   1.407
   70   HD13  LEU  14          3HD1      LEU  14   3.133   9.543   1.698
   71   HD21  LEU  14          1HD2      LEU  14   4.361   7.043  -1.173
   72   HD22  LEU  14          2HD2      LEU  14   4.100   8.799  -1.037
   73   HD23  LEU  14          3HD2      LEU  14   5.591   8.068  -0.394
   74    H    LYS  15           H        LYS  15   3.841   5.627   3.920
   75    HA   LYS  15           HA       LYS  15   4.987   6.311   6.335
   76    HB3  LYS  15           2HB      LYS  15   4.814   8.639   5.670
   77    HG3  LYS  15           2HG      LYS  15   2.192   7.763   4.686
   78    HD3  LYS  15           2HD      LYS  15   2.142   9.490   6.992
   79    HE3  LYS  15           2HE      LYS  15   2.161  10.934   4.445
   80    HZ1  LYS  15           1HZ      LYS  15   0.071  11.797   4.416
   81    HZ2  LYS  15           2HZ      LYS  15  -0.370  10.424   5.170
   82    H    GLU  16           H        GLU  16   4.162   4.152   6.596
   83    HA   GLU  16           HA       GLU  16   2.380   2.674   6.469
   84    HB3  GLU  16           2HB      GLU  16   1.350   3.028   8.919
   85    HG3  GLU  16           2HG      GLU  16   4.336   2.549   8.494
   86    HE2  GLU  16           HE       GLU  16   4.248   3.284  11.050
   87    H    GLY  17           H        GLY  17   1.240   4.083   4.662
   88    HA2  GLY  17           1HA      GLY  17  -1.466   4.053   5.032
   89    HA3  GLY  17           2HA      GLY  17  -0.992   5.671   5.508
   90    H    THR  18           H        THR  18  -0.255   3.271   2.870
   91    HA   THR  18           HA       THR  18  -0.487   5.514   0.972
   92    HB   THR  18           HB       THR  18   1.234   3.196   0.233
   93    HG1  THR  18           HG1      THR  18   1.695   5.071   2.441
   94   HG21  THR  18          1HG2      THR  18   2.090   4.853  -1.084
   95   HG22  THR  18          2HG2      THR  18   1.027   6.044  -0.297
   96   HG23  THR  18          3HG2      THR  18   2.637   5.701   0.382
   97    H    ILE  19           H        ILE  19  -1.577   2.403   2.026
   98    HA   ILE  19           HA       ILE  19  -2.833   0.832   1.054
   99    HB   ILE  19           HB       ILE  19  -4.611   2.127   1.621
  100   HG13  ILE  19          2HG1      ILE  19  -6.047   1.347   0.117
  101   HG21  ILE  19          1HG2      ILE  19  -5.158   4.303   0.358
  102   HG22  ILE  19          2HG2      ILE  19  -3.792   4.306   1.498
  103   HG23  ILE  19          3HG2      ILE  19  -3.489   4.201  -0.252
  104   HD11  ILE  19          1HD1      ILE  19  -4.848   3.210  -1.980
  105   HD12  ILE  19          2HD1      ILE  19  -6.459   2.455  -2.008
  106   HD13  ILE  19          3HD1      ILE  19  -6.086   3.711  -0.803
  107    H    CYS  20           H        CYS  20  -2.552  -0.566  -0.605
  108    HA   CYS  20           HA       CYS  20  -0.946  -0.065  -2.714
  109    HB3  CYS  20           2HB      CYS  20  -2.946  -2.117  -2.039
  110    H    LYS  21           H        LYS  21  -4.460  -0.697  -3.323
  111    HA   LYS  21           HA       LYS  21  -4.621   1.792  -4.825
  112    HB3  LYS  21           2HB      LYS  21  -5.715   0.461  -6.719
  113    HG3  LYS  21           2HG      LYS  21  -2.741  -0.043  -6.255
  114    HD3  LYS  21           2HD      LYS  21  -3.185   0.788  -8.882
  115    HE3  LYS  21           2HE      LYS  21  -1.761  -1.149  -7.930
  116    HZ1  LYS  21           1HZ      LYS  21  -4.242  -2.196  -7.355
  117    HZ2  LYS  21           2HZ      LYS  21  -3.745  -3.073  -8.634
  118    H    ARG  22           H        ARG  22  -6.187   2.772  -3.626
  119    HA   ARG  22           HA       ARG  22  -8.082   1.450  -2.180
  120    HB3  ARG  22           2HB      ARG  22  -7.797   4.246  -3.276
  121    HG3  ARG  22           2HG      ARG  22 -10.312   3.392  -3.341
  122    HD3  ARG  22           2HD      ARG  22 -10.487   2.390  -1.147
  123    HE   ARG  22           HE       ARG  22  -8.679   3.468   0.093
  124   HH11  ARG  22          2HH2      ARG  22 -11.623   5.419  -0.191
  125   HH12  ARG  22          1HH2      ARG  22 -11.215   6.452   1.138
  126   HH22  ARG  22          1HH       ARG  22  -9.161   6.089   2.320
  127    H    ALA  23           H        ALA  23  -9.185  -0.203  -3.348
  128    HA   ALA  23           HA       ALA  23 -10.407   0.400  -5.869
  129    HB1  ALA  23           1HB      ALA  23 -11.456  -2.000  -5.025
  130    HB2  ALA  23           2HB      ALA  23  -9.918  -1.817  -5.902
  131    HB3  ALA  23           3HB      ALA  23  -9.920  -1.941  -4.127
  132    H    ARG  24           H        ARG  24 -11.266   0.495  -2.443
  133    HA   ARG  24           HA       ARG  24 -13.880   0.128  -2.393
  134    HB3  ARG  24           2HB      ARG  24 -13.380   2.641  -1.020
  135    HG3  ARG  24           2HG      ARG  24 -13.471  -0.267  -0.089
  136    HD3  ARG  24           2HD      ARG  24 -13.797   0.587   2.158
  137    HE   ARG  24           HE       ARG  24 -11.364   1.008   0.852
  138   HH11  ARG  24          2HH2      ARG  24 -13.071   2.564   3.538
  139   HH12  ARG  24          1HH2      ARG  24 -11.617   3.081   4.326
  140   HH22  ARG  24          1HH       ARG  24  -9.498   2.554   3.340
  141    H    GLY  25           H        GLY  25 -12.203   3.133  -3.535
  142    HA2  GLY  25           1HA      GLY  25 -14.583   3.799  -5.111
  143    HA3  GLY  25           2HA      GLY  25 -14.009   4.976  -3.947
  144    H    ASP  26           H        ASP  26 -11.171   4.527  -4.141
  145    HA   ASP  26           HA       ASP  26 -10.440   4.642  -6.869
  146    HB3  ASP  26           2HB      ASP  26  -9.652   7.163  -5.477
  147    HD2  ASP  26           HD       ASP  26 -10.582   6.920  -9.378
  148    H    ASP  27           H        ASP  27  -8.505   3.498  -6.718
  149    HA   ASP  27           HA       ASP  27  -7.199   2.828  -4.521
  150    HB3  ASP  27           2HB      ASP  27  -6.752   2.283  -7.050
  151    HD2  ASP  27           HD       ASP  27  -3.970   4.199  -5.938
  152    H    MET  28           H        MET  28  -5.154   3.617  -3.464
  153    HA   MET  28           HA       MET  28  -4.965   6.519  -3.673
  154    HB3  MET  28           2HB      MET  28  -3.971   6.276  -1.304
  155    HG3  MET  28           2HG      MET  28  -6.172   5.713  -0.216
  156    HE1  MET  28           1HE      MET  28  -5.216   8.838  -0.227
  157    HE2  MET  28           2HE      MET  28  -6.961   9.092   0.017
  158    HE3  MET  28           3HE      MET  28  -6.182   7.612   0.630
  159    H    ASP  29           H        ASP  29  -2.639   4.413  -1.971
  160    HA   ASP  29           HA       ASP  29  -0.741   4.940  -4.113
  161    HB3  ASP  29           2HB      ASP  29   1.012   5.239  -2.301
  162    HD2  ASP  29           HD       ASP  29   0.571   8.446  -1.387
  163    H    ASP  30           H        ASP  30   0.684   3.649  -1.267
  164    HA   ASP  30           HA       ASP  30  -0.182   1.033  -1.312
  165    HB3  ASP  30           2HB      ASP  30   0.767   0.485  -3.365
  166    HD2  ASP  30           HD       ASP  30   3.889   0.807  -3.427
  167    H    TYR  31           H        TYR  31   0.241   0.809   0.899
  168    HA   TYR  31           HA       TYR  31   2.872   1.713   1.851
  169    HB3  TYR  31           2HB      TYR  31   0.197   2.230   2.637
  170    HD1  TYR  31           HD2      TYR  31  -0.640  -0.321   2.766
  171    HD2  TYR  31           HD1      TYR  31   1.694   1.661   5.755
  172    HE1  TYR  31           HE2      TYR  31  -1.449  -1.984   4.512
  173    HE2  TYR  31           HE1      TYR  31   0.878  -0.009   7.489
  174    HH   TYR  31           HH       TYR  31  -1.252  -1.472   7.715
  175    H    CYS  32           H        CYS  32   3.309   0.396   4.109
  176    HA   CYS  32           HA       CYS  32   3.542  -2.334   3.191
  177    HB3  CYS  32           2HB      CYS  32   5.494  -1.097   4.100
  178    H    ASN  33           H        ASN  33   1.973  -3.803   3.747
  179    HA   ASN  33           HA       ASN  33   0.280  -3.121   5.988
  180    HB3  ASN  33           2HB      ASN  33  -0.650  -3.817   3.689
  181   HD21  ASN  33          1HD2      ASN  33  -1.798  -6.097   3.113
  182   HD22  ASN  33          2HD2      ASN  33  -0.672  -7.359   2.739
  183    H    GLY  34           H        GLY  34   3.167  -4.277   6.038
  184    HA2  GLY  34           1HA      GLY  34   4.214  -5.599   7.572
  185    HA3  GLY  34           2HA      GLY  34   2.674  -6.276   8.061
  186    H    LYS  35           H        LYS  35   2.752  -6.366   4.682
  187    HA   LYS  35           HA       LYS  35   3.809  -9.107   4.748
  188    HB3  LYS  35           2HB      LYS  35   1.886  -8.292   2.628
  189    HG3  LYS  35           2HG      LYS  35   1.928 -10.745   4.428
  190    HD3  LYS  35           2HD      LYS  35   1.240 -10.773   1.504
  191    HE3  LYS  35           2HE      LYS  35  -0.730 -12.061   3.035
  192    HZ1  LYS  35           1HZ      LYS  35   1.223 -12.736   1.175
  193    HZ2  LYS  35           2HZ      LYS  35   1.398 -13.809   2.388
  194    H    THR  36           H        THR  36   3.199  -6.332   2.474
  195    HA   THR  36           HA       THR  36   5.946  -6.659   1.523
  196    HB   THR  36           HB       THR  36   3.676  -6.343  -0.466
  197    HG1  THR  36           HG1      THR  36   4.844  -8.798   0.641
  198   HG21  THR  36          1HG2      THR  36   6.562  -7.161  -0.451
  199   HG22  THR  36          2HG2      THR  36   5.490  -8.119  -1.500
  200   HG23  THR  36          3HG2      THR  36   5.623  -6.359  -1.732
  201    H    CYS  37           H        CYS  37   6.221  -4.773  -0.303
  202    HA   CYS  37           HA       CYS  37   5.042  -2.383   0.907
  203    HB3  CYS  37           2HB      CYS  37   7.556  -2.987   1.442
  204    H    ASP  38           H        ASP  38   4.010  -3.846  -1.332
  205    HA   ASP  38           HA       ASP  38   5.017  -2.407  -3.629
  206    HB3  ASP  38           2HB      ASP  38   3.122  -3.941  -4.720
  207    HD2  ASP  38           HD       ASP  38   5.518  -3.454  -5.400
  208    H    CYS  39           H        CYS  39   1.938  -3.176  -1.847
  209    HA   CYS  39           HA       CYS  39   0.961  -0.579  -2.031
  210    HB3  CYS  39           2HB      CYS  39   0.739  -1.155  -4.438
  211    HA   PRO  40           HA       PRO  40  -1.056  -4.016   0.444
  212    HB3  PRO  40           2HB      PRO  40   0.629  -5.359   1.258
  213    HG3  PRO  40           2HG      PRO  40   2.760  -4.551   0.905
  214    HD3  PRO  40           2HD      PRO  40   2.387  -3.197  -0.914
  215    H    ARG  41           H        ARG  41  -2.698  -2.466   0.585
  216    HA   ARG  41           HA       ARG  41  -3.252  -1.658   3.075
  217    HB3  ARG  41           2HB      ARG  41  -1.717   0.508   1.566
  218    HG3  ARG  41           2HG      ARG  41  -3.896   0.727   3.577
  219    HD3  ARG  41           2HD      ARG  41  -2.470   2.906   4.361
  220    HE   ARG  41           HE       ARG  41  -1.941   0.386   5.838
  221   HH11  ARG  41          2HH2      ARG  41  -4.091   3.153   5.313
  222   HH12  ARG  41          1HH2      ARG  41  -4.936   2.938   6.808
  223   HH22  ARG  41          1HH       ARG  41  -4.313   1.138   8.262
  224    H    ASN  42           H        ASN  42  -4.290  -2.497   0.384
  225    HA   ASN  42           HA       ASN  42  -6.128  -0.281  -0.072
  226    HB3  ASN  42           2HB      ASN  42  -5.050  -0.701  -2.155
  227   HD21  ASN  42          1HD2      ASN  42  -4.171  -2.717  -0.062
  228   HD22  ASN  42          2HD2      ASN  42  -3.583  -4.079  -0.955
  229    HA   PRO  43           HA       PRO  43  -8.293  -4.050   1.591
  230    HB3  PRO  43           2HB      PRO  43  -7.553  -4.174   3.768
  231    HG3  PRO  43           2HG      PRO  43  -6.299  -2.366   4.463
  232    HD3  PRO  43           2HD      PRO  43  -5.522  -1.606   2.437
  233    H    HIS  44           H        HIS  44  -9.228  -2.366  -0.275
  234    HA   HIS  44           HA       HIS  44 -11.666  -1.291   0.889
  235    HB3  HIS  44           2HB      HIS  44 -11.828   0.097  -0.957
  236    HD1  HIS  44           HD1      HIS  44  -8.962  -0.751   0.985
  237    HD2  HIS  44           HD2      HIS  44  -9.611   1.744  -2.325
  238    HE1  HIS  44           HE1      HIS  44  -7.008   0.889   0.931
  239    H    LYS  45           H        LYS  45 -12.620  -1.663  -2.151
  240    HA   LYS  45           HA       LYS  45 -14.561  -3.386  -1.908
  241    HB3  LYS  45           2HB      LYS  45 -14.235  -4.021  -4.310
  242    HG3  LYS  45           2HG      LYS  45 -13.659  -1.265  -4.710
  243    HD3  LYS  45           2HD      LYS  45 -16.380  -2.498  -4.092
  244    HE3  LYS  45           2HE      LYS  45 -16.300  -0.717  -6.360
  245    HZ1  LYS  45           1HZ      LYS  45 -17.494   0.411  -4.072
  246    HZ2  LYS  45           2HZ      LYS  45 -18.239  -0.254  -5.358
  247    H    GLY  46           H        GLY  46 -11.553  -4.774  -3.370
  248    HA2  GLY  46           1HA      GLY  46 -11.676  -6.991  -1.461
  249    HA3  GLY  46           2HA      GLY  46 -11.902  -7.360  -3.159
  250    HA   PRO  47           HA       PRO  47  -7.591  -5.774  -3.490
  251    HB3  PRO  47           2HB      PRO  47  -7.557  -3.524  -3.980
  252    HG3  PRO  47           2HG      PRO  47  -9.325  -2.323  -3.112
  253    HD3  PRO  47           2HD      PRO  47 -10.885  -3.997  -2.890
  254    H    ALA  48           H        ALA  48  -5.684  -4.352  -1.731
  255    HA   ALA  48           HA       ALA  48  -4.907  -4.626   0.449
  256    HB1  ALA  48           1HB      ALA  48  -7.024  -5.988   0.980
  257    HB2  ALA  48           2HB      ALA  48  -6.100  -7.415   0.456
  258    HB3  ALA  48           3HB      ALA  48  -5.535  -6.449   1.840
  259    H    THR  49           H        THR  49  -2.737  -4.981   0.483
  260    HA   THR  49           HA       THR  49  -1.730  -7.304  -1.005
  261    HB   THR  49           HB       THR  49  -1.141  -4.360  -1.379
  262    HG1  THR  49           HG1      THR  49  -0.834  -5.583  -3.588
  263   HG21  THR  49          1HG2      THR  49   1.055  -5.619  -0.736
  264   HG22  THR  49          2HG2      THR  49   0.798  -6.557  -2.227
  265   HG23  THR  49          3HG2      THR  49   1.031  -4.795  -2.313
  Start of MODEL   12
    1    H2   GLU   1           1H       GLU   1   7.034  -3.615  -4.491
    2    HA   GLU   1           HA       GLU   1   8.437  -3.667  -1.934
    3    HB3  GLU   1           2HB      GLU   1   6.468  -5.173  -1.896
    4    HG3  GLU   1           2HG      GLU   1   7.875  -6.689  -4.141
    5    HE2  GLU   1           HE       GLU   1   4.493  -8.056  -4.209
    6    H    CYS   2           H        CYS   2  10.567  -3.338  -2.473
    7    HA   CYS   2           HA       CYS   2  11.541  -4.678  -4.874
    8    HB3  CYS   2           2HB      CYS   2  13.474  -3.182  -4.700
    9    H    GLU   3           H        GLU   3  10.873  -6.094  -2.349
   10    HA   GLU   3           HA       GLU   3  11.738  -7.786  -1.265
   11    HB3  GLU   3           2HB      GLU   3  14.599  -7.553  -1.656
   12    HG3  GLU   3           2HG      GLU   3  12.612  -9.424  -3.019
   13    HE2  GLU   3           HE       GLU   3  16.529  -9.737  -2.460
   14    H    SER   4           H        SER   4  11.037  -6.006   0.379
   15    HA   SER   4           HA       SER   4  13.028  -5.942   2.359
   16    HB3  SER   4           2HB      SER   4  12.326  -3.342   0.946
   17    HG   SER   4           HG       SER   4  12.712  -3.724   3.623
   18    H    GLY   5           H        GLY   5  10.327  -6.955   1.978
   19    HA2  GLY   5           1HA      GLY   5   8.325  -7.033   2.997
   20    HA3  GLY   5           2HA      GLY   5   9.125  -6.297   4.371
   21    HA   PRO   6           HA       PRO   6   6.075  -3.337   2.611
   22    HB3  PRO   6           2HB      PRO   6   4.057  -4.321   3.123
   23    HG3  PRO   6           2HG      PRO   6   4.209  -6.178   4.484
   24    HD3  PRO   6           2HD      PRO   6   6.364  -6.840   4.032
   25    H    CYS   7           H        CYS   7   5.120  -1.256   3.684
   26    HA   CYS   7           HA       CYS   7   5.448   0.498   4.993
   27    HB3  CYS   7           2HB      CYS   7   7.404   0.141   6.830
   28    H    CYS   8           H        CYS   8   6.761  -0.041   2.471
   29    HA   CYS   8           HA       CYS   8   8.878   1.869   2.695
   30    HB3  CYS   8           2HB      CYS   8  10.254   0.028   3.190
   31    H    ARG   9           H        ARG   9   6.222   1.780   1.539
   32    HA   ARG   9           HA       ARG   9   5.287   1.297  -0.566
   33    HB3  ARG   9           2HB      ARG   9   6.128   3.937   0.256
   34    HG3  ARG   9           2HG      ARG   9   5.644   4.795  -2.271
   35    HD3  ARG   9           2HD      ARG   9   8.252   4.854  -2.518
   36    HE   ARG   9           HE       ARG   9   6.848   6.083  -0.169
   37   HH11  ARG   9          2HH2      ARG   9   9.108   6.340  -2.886
   38   HH12  ARG   9          1HH2      ARG   9   9.341   8.044  -2.692
   39   HH22  ARG   9          1HH       ARG   9   8.183   9.196  -0.937
   40    H    ASN  10           H        ASN  10   5.959  -0.001  -2.251
   41    HA   ASN  10           HA       ASN  10   7.027  -0.696  -4.005
   42    HB3  ASN  10           2HB      ASN  10   6.885   1.849  -4.624
   43   HD21  ASN  10          1HD2      ASN  10   7.738   3.762  -4.358
   44   HD22  ASN  10          2HD2      ASN  10   9.343   4.129  -3.819
   45    H    CYS  11           H        CYS  11   9.087   1.313  -1.801
   46    HA   CYS  11           HA       CYS  11  10.641  -0.470  -0.710
   47    HB3  CYS  11           2HB      CYS  11  11.368  -1.642  -2.569
   48    H    LYS  12           H        LYS  12   9.725   2.104  -0.229
   49    HA   LYS  12           HA       LYS  12  12.215   3.473   0.267
   50    HB3  LYS  12           2HB      LYS  12  10.156   5.209  -1.001
   51    HG3  LYS  12           2HG      LYS  12  12.837   5.427  -0.126
   52    HD3  LYS  12           2HD      LYS  12  12.634   4.931  -3.071
   53    HE3  LYS  12           2HE      LYS  12  14.667   6.511  -3.356
   54    HZ1  LYS  12           1HZ      LYS  12  11.925   7.022  -3.546
   55    HZ2  LYS  12           2HZ      LYS  12  12.604   8.386  -2.970
   56    H    PHE  13           H        PHE  13   8.680   3.103   0.577
   57    HA   PHE  13           HA       PHE  13   7.519   3.139   2.506
   58    HB3  PHE  13           2HB      PHE  13   9.603   4.941   3.804
   59    HD1  PHE  13           HD1      PHE  13   6.545   3.803   4.178
   60    HD2  PHE  13           HD2      PHE  13  10.317   3.197   6.026
   61    HE1  PHE  13           HE1      PHE  13   5.395   3.143   6.308
   62    HE2  PHE  13           HE2      PHE  13   9.166   2.536   8.157
   63    HZ   PHE  13           HZ       PHE  13   6.718   2.517   8.272
   64    H    LEU  14           H        LEU  14   5.749   4.427   2.365
   65    HA   LEU  14           HA       LEU  14   6.174   7.216   1.644
   66    HB3  LEU  14           2HB      LEU  14   3.515   5.840   1.828
   67    HG   LEU  14           HG       LEU  14   3.148   7.162  -0.315
   68   HD11  LEU  14          1HD1      LEU  14   2.957   7.935   2.437
   69   HD12  LEU  14          2HD1      LEU  14   3.319   9.371   1.449
   70   HD13  LEU  14          3HD1      LEU  14   1.902   8.363   1.068
   71   HD21  LEU  14          1HD2      LEU  14   4.561   8.846  -0.991
   72   HD22  LEU  14          2HD2      LEU  14   5.327   9.002   0.609
   73   HD23  LEU  14          3HD2      LEU  14   5.726   7.619  -0.439
   74    H    LYS  15           H        LYS  15   4.047   5.340   3.926
   75    HA   LYS  15           HA       LYS  15   4.798   6.429   6.252
   76    HB3  LYS  15           2HB      LYS  15   4.486   8.671   5.251
   77    HG3  LYS  15           2HG      LYS  15   1.534   8.544   5.488
   78    HD3  LYS  15           2HD      LYS  15   1.944   9.673   3.116
   79    HE3  LYS  15           2HE      LYS  15   3.109  11.220   5.442
   80    HZ1  LYS  15           1HZ      LYS  15   1.453  12.836   4.472
   81    HZ2  LYS  15           2HZ      LYS  15   2.676  12.457   3.466
   82    H    GLU  16           H        GLU  16   4.055   4.533   7.131
   83    HA   GLU  16           HA       GLU  16   2.410   2.809   6.909
   84    HB3  GLU  16           2HB      GLU  16   1.111   3.549   9.196
   85    HG3  GLU  16           2HG      GLU  16   4.080   2.846   9.050
   86    HE2  GLU  16           HE       GLU  16   4.448   2.561  12.018
   87    H    GLY  17           H        GLY  17   1.093   3.181   5.002
   88    HA2  GLY  17           1HA      GLY  17  -1.439   3.122   4.933
   89    HA3  GLY  17           2HA      GLY  17  -1.341   4.779   5.494
   90    H    THR  18           H        THR  18  -1.121   2.636   2.752
   91    HA   THR  18           HA       THR  18  -1.291   4.773   0.923
   92    HB   THR  18           HB       THR  18   1.209   3.455   0.189
   93    HG1  THR  18           HG1      THR  18   2.102   4.867   2.218
   94   HG21  THR  18          1HG2      THR  18   0.178   5.904  -0.274
   95   HG22  THR  18          2HG2      THR  18   1.072   6.293   1.216
   96   HG23  THR  18          3HG2      THR  18   1.938   5.650  -0.200
   97    H    ILE  19           H        ILE  19  -3.147   3.540   0.380
   98    HA   ILE  19           HA       ILE  19  -3.455   0.967  -0.102
   99    HB   ILE  19           HB       ILE  19  -4.903   3.103  -0.641
  100   HG13  ILE  19          2HG1      ILE  19  -6.240   1.301  -0.498
  101   HG21  ILE  19          1HG2      ILE  19  -4.083   2.235  -3.422
  102   HG22  ILE  19          2HG2      ILE  19  -5.240   3.512  -2.978
  103   HG23  ILE  19          3HG2      ILE  19  -3.509   3.715  -2.616
  104   HD11  ILE  19          1HD1      ILE  19  -6.783   2.365  -2.766
  105   HD12  ILE  19          2HD1      ILE  19  -5.825   1.061  -3.507
  106   HD13  ILE  19          3HD1      ILE  19  -7.290   0.669  -2.574
  107    H    CYS  20           H        CYS  20  -3.564  -0.188  -2.389
  108    HA   CYS  20           HA       CYS  20  -0.958   0.268  -3.649
  109    HB3  CYS  20           2HB      CYS  20  -2.348  -2.393  -3.288
  110    H    LYS  21           H        LYS  21  -4.340   0.391  -3.904
  111    HA   LYS  21           HA       LYS  21  -4.147   0.541  -6.788
  112    HB3  LYS  21           2HB      LYS  21  -6.466  -0.887  -6.596
  113    HG3  LYS  21           2HG      LYS  21  -3.882  -1.170  -7.742
  114    HD3  LYS  21           2HD      LYS  21  -4.577  -3.392  -5.869
  115    HE3  LYS  21           2HE      LYS  21  -5.074  -4.332  -8.192
  116    HZ1  LYS  21           1HZ      LYS  21  -3.594  -3.608  -9.730
  117    HZ2  LYS  21           2HZ      LYS  21  -2.440  -3.231  -8.646
  118    H    ARG  22           H        ARG  22  -7.128   0.130  -4.857
  119    HA   ARG  22           HA       ARG  22  -7.872   2.231  -3.779
  120    HB3  ARG  22           2HB      ARG  22  -7.374   3.103  -6.641
  121    HG3  ARG  22           2HG      ARG  22  -9.456   4.064  -6.665
  122    HD3  ARG  22           2HD      ARG  22  -9.696   2.804  -4.195
  123    HE   ARG  22           HE       ARG  22  -9.584   4.497  -2.601
  124   HH11  ARG  22          2HH2      ARG  22 -10.845   5.900  -5.600
  125   HH12  ARG  22          1HH2      ARG  22 -11.087   7.470  -4.911
  126   HH22  ARG  22          1HH       ARG  22 -10.527   7.840  -2.610
  127    H    ALA  23           H        ALA  23  -9.435   0.472  -3.428
  128    HA   ALA  23           HA       ALA  23 -11.436   0.238  -5.563
  129    HB1  ALA  23           1HB      ALA  23 -11.085  -1.573  -3.154
  130    HB2  ALA  23           2HB      ALA  23 -11.954  -1.908  -4.671
  131    HB3  ALA  23           3HB      ALA  23 -10.177  -1.812  -4.666
  132    H    ARG  24           H        ARG  24 -12.798  -0.993  -2.817
  133    HA   ARG  24           HA       ARG  24 -14.774  -0.152  -2.064
  134    HB3  ARG  24           2HB      ARG  24 -12.468   1.055  -0.467
  135    HG3  ARG  24           2HG      ARG  24 -14.902   0.579   1.069
  136    HD3  ARG  24           2HD      ARG  24 -14.241   2.525   2.150
  137    HE   ARG  24           HE       ARG  24 -11.660   2.314   0.702
  138   HH11  ARG  24          2HH2      ARG  24 -13.678   1.205   3.395
  139   HH12  ARG  24          1HH2      ARG  24 -12.350   0.519   4.270
  140   HH22  ARG  24          1HH       ARG  24 -10.142   0.651   3.346
  141    H    GLY  25           H        GLY  25 -12.689   2.740  -1.415
  142    HA2  GLY  25           1HA      GLY  25 -13.858   4.406  -3.381
  143    HA3  GLY  25           2HA      GLY  25 -14.689   4.621  -1.854
  144    H    ASP  26           H        ASP  26 -12.082   3.800  -0.382
  145    HA   ASP  26           HA       ASP  26 -10.827   6.409  -0.697
  146    HB3  ASP  26           2HB      ASP  26 -10.064   5.058   1.752
  147    HD2  ASP  26           HD       ASP  26 -12.892   6.674   1.883
  148    H    ASP  27           H        ASP  27  -8.897   6.161  -1.844
  149    HA   ASP  27           HA       ASP  27  -7.392   3.725  -1.298
  150    HB3  ASP  27           2HB      ASP  27  -8.283   4.227  -3.689
  151    HD2  ASP  27           HD       ASP  27  -8.472   6.800  -4.211
  152    H    MET  28           H        MET  28  -4.874   4.362  -2.167
  153    HA   MET  28           HA       MET  28  -4.228   6.999  -1.179
  154    HB3  MET  28           2HB      MET  28  -2.405   5.971   0.285
  155    HG3  MET  28           2HG      MET  28  -4.367   4.661   1.755
  156    HE1  MET  28           1HE      MET  28  -5.199   7.913   0.456
  157    HE2  MET  28           2HE      MET  28  -5.059   9.007   1.853
  158    HE3  MET  28           3HE      MET  28  -3.690   8.817   0.731
  159    H    ASP  29           H        ASP  29  -1.647   4.666  -1.197
  160    HA   ASP  29           HA       ASP  29  -1.099   5.148  -3.989
  161    HB3  ASP  29           2HB      ASP  29   1.280   5.476  -2.240
  162    HD2  ASP  29           HD       ASP  29   2.364   7.910  -4.452
  163    H    ASP  30           H        ASP  30   1.247   4.234  -1.419
  164    HA   ASP  30           HA       ASP  30   0.771   1.445  -1.845
  165    HB3  ASP  30           2HB      ASP  30   2.949   0.899  -2.696
  166    HD2  ASP  30           HD       ASP  30   3.618   1.045  -4.678
  167    H    TYR  31           H        TYR  31   0.667   0.912   0.354
  168    HA   TYR  31           HA       TYR  31   2.769   2.028   2.084
  169    HB3  TYR  31           2HB      TYR  31  -0.088   2.051   2.165
  170    HD1  TYR  31           HD2      TYR  31  -0.655  -0.495   1.968
  171    HD2  TYR  31           HD1      TYR  31   0.935   1.327   5.496
  172    HE1  TYR  31           HE2      TYR  31  -1.522  -2.432   3.367
  173    HE2  TYR  31           HE1      TYR  31   0.063  -0.616   6.884
  174    HH   TYR  31           HH       TYR  31  -2.038  -2.349   6.433
  175    H    CYS  32           H        CYS  32   2.928   0.493   4.187
  176    HA   CYS  32           HA       CYS  32   4.121  -1.842   3.279
  177    HB3  CYS  32           2HB      CYS  32   5.017  -1.583   5.282
  178    H    ASN  33           H        ASN  33   2.761  -3.424   5.649
  179    HA   ASN  33           HA       ASN  33   0.240  -3.905   5.538
  180    HB3  ASN  33           2HB      ASN  33   1.380  -5.195   3.002
  181   HD21  ASN  33          1HD2      ASN  33   0.152  -6.680   1.996
  182   HD22  ASN  33          2HD2      ASN  33  -1.278  -7.403   2.653
  183    H    GLY  34           H        GLY  34   3.190  -4.610   6.399
  184    HA2  GLY  34           1HA      GLY  34   4.178  -6.235   7.599
  185    HA3  GLY  34           2HA      GLY  34   2.617  -7.017   7.741
  186    H    LYS  35           H        LYS  35   2.611  -6.867   4.550
  187    HA   LYS  35           HA       LYS  35   3.951  -9.443   4.288
  188    HB3  LYS  35           2HB      LYS  35   2.508  -8.709   1.936
  189    HG3  LYS  35           2HG      LYS  35   0.967 -10.584   2.963
  190    HD3  LYS  35           2HD      LYS  35   3.922 -10.982   2.316
  191    HE3  LYS  35           2HE      LYS  35   2.280 -13.286   1.727
  192    HZ1  LYS  35           1HZ      LYS  35   4.587 -12.762   3.512
  193    HZ2  LYS  35           2HZ      LYS  35   3.956 -14.253   3.346
  194    H    THR  36           H        THR  36   3.492  -6.510   2.187
  195    HA   THR  36           HA       THR  36   6.340  -6.280   1.846
  196    HB   THR  36           HB       THR  36   6.097  -6.598  -0.692
  197    HG1  THR  36           HG1      THR  36   4.090  -8.000  -1.073
  198   HG21  THR  36          1HG2      THR  36   6.958  -8.468   0.848
  199   HG22  THR  36          2HG2      THR  36   5.288  -9.080   0.903
  200   HG23  THR  36          3HG2      THR  36   6.168  -9.034  -0.644
  201    H    CYS  37           H        CYS  37   6.974  -4.291   0.896
  202    HA   CYS  37           HA       CYS  37   4.931  -2.296   1.226
  203    HB3  CYS  37           2HB      CYS  37   7.096  -1.886   2.200
  204    H    ASP  38           H        ASP  38   4.060  -3.827  -0.825
  205    HA   ASP  38           HA       ASP  38   5.114  -2.691  -3.265
  206    HB3  ASP  38           2HB      ASP  38   2.860  -4.720  -3.009
  207    HD2  ASP  38           HD       ASP  38   2.560  -3.413  -5.230
  208    H    CYS  39           H        CYS  39   3.045  -1.694  -0.933
  209    HA   CYS  39           HA       CYS  39   1.666   0.100  -1.117
  210    HB3  CYS  39           2HB      CYS  39   2.220   0.314  -3.560
  211    HA   PRO  40           HA       PRO  40  -1.229  -3.588  -0.776
  212    HB3  PRO  40           2HB      PRO  40   0.022  -5.427  -0.181
  213    HG3  PRO  40           2HG      PRO  40   2.217  -4.966   0.357
  214    HD3  PRO  40           2HD      PRO  40   2.516  -3.002  -0.798
  215    H    ARG  41           H        ARG  41  -2.179  -1.340  -0.412
  216    HA   ARG  41           HA       ARG  41  -3.163  -1.466   2.304
  217    HB3  ARG  41           2HB      ARG  41  -1.821   0.913   0.974
  218    HG3  ARG  41           2HG      ARG  41  -4.288   0.985   2.533
  219    HD3  ARG  41           2HD      ARG  41  -2.718   3.053   3.767
  220    HE   ARG  41           HE       ARG  41  -3.867   0.648   5.130
  221   HH11  ARG  41          2HH2      ARG  41  -4.026   4.105   4.367
  222   HH12  ARG  41          1HH2      ARG  41  -5.296   4.423   5.501
  223   HH22  ARG  41          1HH       ARG  41  -6.171   2.624   6.820
  224    H    ASN  42           H        ASN  42  -4.384  -2.355  -0.149
  225    HA   ASN  42           HA       ASN  42  -6.326  -0.236  -0.616
  226    HB3  ASN  42           2HB      ASN  42  -5.797  -0.745  -2.799
  227   HD21  ASN  42          1HD2      ASN  42  -3.677  -1.451  -1.112
  228   HD22  ASN  42          2HD2      ASN  42  -2.814  -2.791  -1.791
  229    HA   PRO  43           HA       PRO  43  -8.278  -3.801   1.619
  230    HB3  PRO  43           2HB      PRO  43  -7.453  -3.560   3.755
  231    HG3  PRO  43           2HG      PRO  43  -6.265  -1.617   4.114
  232    HD3  PRO  43           2HD      PRO  43  -5.600  -1.141   1.966
  233    H    HIS  44           H        HIS  44  -9.099  -1.363  -0.071
  234    HA   HIS  44           HA       HIS  44 -11.623  -0.660   0.937
  235    HB3  HIS  44           2HB      HIS  44 -11.843   0.621  -0.965
  236    HD1  HIS  44           HD1      HIS  44  -8.870  -0.154   0.843
  237    HD2  HIS  44           HD2      HIS  44  -9.696   2.147  -2.567
  238    HE1  HIS  44           HE1      HIS  44  -6.901   1.445   0.566
  239    H    LYS  45           H        LYS  45 -12.971  -1.119  -1.789
  240    HA   LYS  45           HA       LYS  45 -14.760  -2.885  -1.423
  241    HB3  LYS  45           2HB      LYS  45 -14.457  -3.728  -3.820
  242    HG3  LYS  45           2HG      LYS  45 -14.176  -0.768  -3.945
  243    HD3  LYS  45           2HD      LYS  45 -16.639  -1.181  -4.780
  244    HE3  LYS  45           2HE      LYS  45 -15.746  -2.081  -6.993
  245    HZ1  LYS  45           1HZ      LYS  45 -14.004   0.033  -5.864
  246    HZ2  LYS  45           2HZ      LYS  45 -14.501  -0.120  -7.407
  247    H    GLY  46           H        GLY  46 -11.541  -4.123  -2.585
  248    HA2  GLY  46           1HA      GLY  46 -11.266  -6.098  -0.646
  249    HA3  GLY  46           2HA      GLY  46 -12.152  -6.818  -1.975
  250    HA   PRO  47           HA       PRO  47  -8.235  -5.608  -4.182
  251    HB3  PRO  47           2HB      PRO  47  -8.116  -3.370  -4.709
  252    HG3  PRO  47           2HG      PRO  47  -9.240  -1.977  -3.256
  253    HD3  PRO  47           2HD      PRO  47 -10.785  -3.445  -2.395
  254    H    ALA  48           H        ALA  48  -6.257  -3.871  -2.050
  255    HA   ALA  48           HA       ALA  48  -4.695  -4.490  -0.596
  256    HB1  ALA  48           1HB      ALA  48  -5.006  -6.340   0.779
  257    HB2  ALA  48           2HB      ALA  48  -6.659  -6.084   0.171
  258    HB3  ALA  48           3HB      ALA  48  -5.634  -7.351  -0.544
  259    H    THR  49           H        THR  49  -2.542  -5.225  -0.796
  260    HA   THR  49           HA       THR  49  -2.020  -6.990  -3.086
  261    HB   THR  49           HB       THR  49  -1.358  -4.121  -2.738
  262    HG1  THR  49           HG1      THR  49  -0.831  -4.802  -5.123
  263   HG21  THR  49          1HG2      THR  49   0.846  -4.759  -4.158
  264   HG22  THR  49          2HG2      THR  49   0.918  -4.570  -2.389
  265   HG23  THR  49          3HG2      THR  49   0.809  -6.195  -3.107
  Start of MODEL   13
    1    H2   GLU   1           1H       GLU   1  10.675  -5.234   1.597
    2    HA   GLU   1           HA       GLU   1   9.422  -3.182   1.304
    3    HB3  GLU   1           2HB      GLU   1   9.349  -2.047   3.308
    4    HG3  GLU   1           2HG      GLU   1  12.085  -1.900   4.228
    5    HE2  GLU   1           HE       GLU   1   9.507  -1.641   6.563
    6    H    CYS   2           H        CYS   2  10.425  -3.720  -0.736
    7    HA   CYS   2           HA       CYS   2  11.657  -2.487  -2.320
    8    HB3  CYS   2           2HB      CYS   2  13.893  -2.499  -0.283
    9    H    GLU   3           H        GLU   3  10.918  -5.200  -1.855
   10    HA   GLU   3           HA       GLU   3  12.543  -6.526  -3.562
   11    HB3  GLU   3           2HB      GLU   3  13.203  -7.599  -0.813
   12    HG3  GLU   3           2HG      GLU   3  13.706  -8.904  -2.924
   13    HE2  GLU   3           HE       GLU   3  15.800  -7.879  -5.395
   14    H    SER   4           H        SER   4  10.214  -6.382  -0.970
   15    HA   SER   4           HA       SER   4   8.320  -7.829  -2.041
   16    HB3  SER   4           2HB      SER   4  10.401  -9.694  -0.945
   17    HG   SER   4           HG       SER   4   8.918 -11.232  -0.319
   18    H    GLY   5           H        GLY   5  10.098  -6.664   0.653
   19    HA2  GLY   5           1HA      GLY   5   8.199  -7.409   2.700
   20    HA3  GLY   5           2HA      GLY   5   9.606  -6.377   2.861
   21    HA   PRO   6           HA       PRO   6   5.650  -3.921   2.277
   22    HB3  PRO   6           2HB      PRO   6   3.982  -4.903   3.524
   23    HG3  PRO   6           2HG      PRO   6   4.691  -6.599   4.917
   24    HD3  PRO   6           2HD      PRO   6   6.613  -7.242   3.831
   25    H    CYS   7           H        CYS   7   5.276  -1.682   2.794
   26    HA   CYS   7           HA       CYS   7   5.829   0.238   3.812
   27    HB3  CYS   7           2HB      CYS   7   8.214   0.018   5.160
   28    H    CYS   8           H        CYS   8   6.218   0.089   1.269
   29    HA   CYS   8           HA       CYS   8   8.366   1.634   0.640
   30    HB3  CYS   8           2HB      CYS   8   9.465  -0.736   1.259
   31    H    ARG   9           H        ARG   9   6.928   2.634  -0.787
   32    HA   ARG   9           HA       ARG   9   5.053   1.341  -2.278
   33    HB3  ARG   9           2HB      ARG   9   5.449   3.510  -3.832
   34    HG3  ARG   9           2HG      ARG   9   3.657   2.995  -1.960
   35    HD3  ARG   9           2HD      ARG   9   5.239   3.376  -0.046
   36    HE   ARG   9           HE       ARG   9   6.541   5.300  -0.129
   37   HH11  ARG   9          2HH2      ARG   9   3.486   5.985  -1.787
   38   HH12  ARG   9          1HH2      ARG   9   3.924   7.614  -2.184
   39   HH22  ARG   9          1HH       ARG   9   6.064   8.453  -1.508
   40    H    ASN  10           H        ASN  10   8.447   1.180  -2.580
   41    HA   ASN  10           HA       ASN  10   8.359  -0.473  -4.765
   42    HB3  ASN  10           2HB      ASN  10   7.876   1.538  -6.127
   43   HD21  ASN  10          1HD2      ASN  10   7.674   3.265  -4.540
   44   HD22  ASN  10          2HD2      ASN  10   8.898   4.486  -4.435
   45    H    CYS  11           H        CYS  11  10.057   1.977  -2.786
   46    HA   CYS  11           HA       CYS  11  11.958   0.381  -1.774
   47    HB3  CYS  11           2HB      CYS  11  13.263   1.736  -4.127
   48    H    LYS  12           H        LYS  12  10.288   2.646  -1.182
   49    HA   LYS  12           HA       LYS  12  12.318   4.428  -0.159
   50    HB3  LYS  12           2HB      LYS  12  10.962   6.433  -0.995
   51    HG3  LYS  12           2HG      LYS  12  12.084   6.330  -3.274
   52    HD3  LYS  12           2HD      LYS  12  14.123   5.253  -1.358
   53    HE3  LYS  12           2HE      LYS  12  14.026   8.007  -2.620
   54    HZ1  LYS  12           1HZ      LYS  12  15.845   6.997  -1.059
   55    HZ2  LYS  12           2HZ      LYS  12  16.364   6.242  -2.404
   56    H    PHE  13           H        PHE  13   8.951   3.269  -0.416
   57    HA   PHE  13           HA       PHE  13   7.371   3.040   1.105
   58    HB3  PHE  13           2HB      PHE  13   9.917   3.336   2.653
   59    HD1  PHE  13           HD1      PHE  13   6.452   2.872   3.947
   60    HD2  PHE  13           HD2      PHE  13  10.144   4.929   4.321
   61    HE1  PHE  13           HE1      PHE  13   5.631   3.961   6.055
   62    HE2  PHE  13           HE2      PHE  13   9.325   6.018   6.429
   63    HZ   PHE  13           HZ       PHE  13   7.078   5.520   7.271
   64    H    LEU  14           H        LEU  14   5.831   4.273   2.431
   65    HA   LEU  14           HA       LEU  14   6.320   7.157   2.171
   66    HB3  LEU  14           2HB      LEU  14   3.611   5.879   2.374
   67    HG   LEU  14           HG       LEU  14   3.267   7.841   0.615
   68   HD11  LEU  14          1HD1      LEU  14   2.782   7.474   3.408
   69   HD12  LEU  14          2HD1      LEU  14   3.169   9.187   3.113
   70   HD13  LEU  14          3HD1      LEU  14   1.844   8.407   2.216
   71   HD21  LEU  14          1HD2      LEU  14   4.605   9.727   0.863
   72   HD22  LEU  14          2HD2      LEU  14   5.311   9.153   2.393
   73   HD23  LEU  14          3HD2      LEU  14   5.780   8.389   0.854
   74    H    LYS  15           H        LYS  15   3.600   5.883   4.003
   75    HA   LYS  15           HA       LYS  15   4.930   5.785   6.500
   76    HB3  LYS  15           2HB      LYS  15   4.947   7.918   7.113
   77    HG3  LYS  15           2HG      LYS  15   3.272   9.208   5.091
   78    HD3  LYS  15           2HD      LYS  15   6.306   9.203   5.405
   79    HE3  LYS  15           2HE      LYS  15   5.100  11.765   4.828
   80    HZ1  LYS  15           1HZ      LYS  15   7.156  10.044   3.816
   81    HZ2  LYS  15           2HZ      LYS  15   6.421  10.857   2.613
   82    H    GLU  16           H        GLU  16   3.778   3.725   6.233
   83    HA   GLU  16           HA       GLU  16   1.846   2.538   5.999
   84    HB3  GLU  16           2HB      GLU  16   0.833   2.521   8.412
   85    HG3  GLU  16           2HG      GLU  16   3.839   2.146   8.005
   86    HE2  GLU  16           HE       GLU  16   3.273  -0.516  10.224
   87    H    GLY  17           H        GLY  17   0.123   3.048   4.704
   88    HA2  GLY  17           1HA      GLY  17  -2.267   3.770   5.184
   89    HA3  GLY  17           2HA      GLY  17  -1.556   5.341   5.500
   90    H    THR  18           H        THR  18   0.366   3.791   3.172
   91    HA   THR  18           HA       THR  18  -0.481   5.566   1.126
   92    HB   THR  18           HB       THR  18   1.188   3.238   0.360
   93    HG1  THR  18           HG1      THR  18   1.782   5.035   2.606
   94   HG21  THR  18          1HG2      THR  18   2.179   4.912  -0.834
   95   HG22  THR  18          2HG2      THR  18   1.076   6.088  -0.082
   96   HG23  THR  18          3HG2      THR  18   2.640   5.719   0.683
   97    H    ILE  19           H        ILE  19  -1.740   2.582   2.253
   98    HA   ILE  19           HA       ILE  19  -2.932   0.961   1.221
   99    HB   ILE  19           HB       ILE  19  -4.698   2.190   1.932
  100   HG13  ILE  19          2HG1      ILE  19  -6.160   1.450   0.435
  101   HG21  ILE  19          1HG2      ILE  19  -3.500   4.388   0.319
  102   HG22  ILE  19          2HG2      ILE  19  -5.252   4.446   0.624
  103   HG23  ILE  19          3HG2      ILE  19  -4.114   4.385   1.990
  104   HD11  ILE  19          1HD1      ILE  19  -6.620   3.733  -0.254
  105   HD12  ILE  19          2HD1      ILE  19  -5.161   3.771  -1.272
  106   HD13  ILE  19          3HD1      ILE  19  -6.534   2.734  -1.725
  107    H    CYS  20           H        CYS  20  -3.309  -0.257  -0.657
  108    HA   CYS  20           HA       CYS  20  -1.642   0.396  -2.821
  109    HB3  CYS  20           2HB      CYS  20  -3.596  -1.784  -2.210
  110    H    LYS  21           H        LYS  21  -4.987  -0.674  -3.463
  111    HA   LYS  21           HA       LYS  21  -5.410   1.837  -4.928
  112    HB3  LYS  21           2HB      LYS  21  -6.889   0.420  -6.415
  113    HG3  LYS  21           2HG      LYS  21  -3.891  -0.087  -6.208
  114    HD3  LYS  21           2HD      LYS  21  -5.790  -1.572  -7.753
  115    HE3  LYS  21           2HE      LYS  21  -4.475  -0.961 -10.020
  116    HZ1  LYS  21           1HZ      LYS  21  -6.642   0.894  -9.382
  117    HZ2  LYS  21           2HZ      LYS  21  -6.472  -0.074 -10.680
  118    H    ARG  22           H        ARG  22  -7.123   3.067  -4.326
  119    HA   ARG  22           HA       ARG  22  -8.537   2.342  -2.048
  120    HB3  ARG  22           2HB      ARG  22  -9.160   4.498  -4.130
  121    HG3  ARG  22           2HG      ARG  22 -11.080   4.597  -2.837
  122    HD3  ARG  22           2HD      ARG  22 -10.470   2.550  -1.494
  123    HE   ARG  22           HE       ARG  22  -8.420   3.030  -0.370
  124   HH11  ARG  22          2HH2      ARG  22 -10.999   5.226   0.670
  125   HH12  ARG  22          1HH2      ARG  22 -10.129   5.790   2.057
  126   HH22  ARG  22          1HH       ARG  22  -7.938   4.923   2.502
  127    H    ALA  23           H        ALA  23  -9.095   0.112  -3.288
  128    HA   ALA  23           HA       ALA  23 -10.844  -0.239  -5.248
  129    HB1  ALA  23           1HB      ALA  23 -11.847  -1.953  -3.303
  130    HB2  ALA  23           2HB      ALA  23 -10.444  -2.273  -4.350
  131    HB3  ALA  23           3HB      ALA  23 -10.202  -1.597  -2.721
  132    H    ARG  24           H        ARG  24 -11.703   0.811  -1.894
  133    HA   ARG  24           HA       ARG  24 -14.381   0.762  -2.103
  134    HB3  ARG  24           2HB      ARG  24 -13.922   3.143  -0.703
  135    HG3  ARG  24           2HG      ARG  24 -13.797   0.217   0.122
  136    HD3  ARG  24           2HD      ARG  24 -13.967   0.984   2.477
  137    HE   ARG  24           HE       ARG  24 -11.573   1.353   0.897
  138   HH11  ARG  24          2HH2      ARG  24 -12.896   1.971   4.125
  139   HH12  ARG  24          1HH2      ARG  24 -11.345   1.973   4.896
  140   HH22  ARG  24          1HH       ARG  24  -9.378   1.609   3.576
  141    H    GLY  25           H        GLY  25 -12.179   2.634  -3.988
  142    HA2  GLY  25           1HA      GLY  25 -14.354   3.961  -5.350
  143    HA3  GLY  25           2HA      GLY  25 -13.290   5.046  -4.477
  144    H    ASP  26           H        ASP  26 -10.801   3.607  -4.769
  145    HA   ASP  26           HA       ASP  26 -10.385   2.954  -7.459
  146    HB3  ASP  26           2HB      ASP  26  -9.570   5.727  -6.500
  147    HD2  ASP  26           HD       ASP  26  -6.641   5.563  -8.093
  148    H    ASP  27           H        ASP  27  -7.909   5.000  -6.040
  149    HA   ASP  27           HA       ASP  27  -6.836   3.015  -4.331
  150    HB3  ASP  27           2HB      ASP  27  -6.207   2.387  -6.812
  151    HD2  ASP  27           HD       ASP  27  -3.280   2.870  -7.515
  152    H    MET  28           H        MET  28  -5.078   3.956  -3.038
  153    HA   MET  28           HA       MET  28  -4.918   6.835  -3.388
  154    HB3  MET  28           2HB      MET  28  -4.180   6.808  -0.991
  155    HG3  MET  28           2HG      MET  28  -6.235   5.652   0.009
  156    HE1  MET  28           1HE      MET  28  -5.582   8.979  -0.140
  157    HE2  MET  28           2HE      MET  28  -7.291   8.994   0.358
  158    HE3  MET  28           3HE      MET  28  -6.229   7.658   0.864
  159    H    ASP  29           H        ASP  29  -2.705   4.260  -2.069
  160    HA   ASP  29           HA       ASP  29  -0.708   5.082  -3.952
  161    HB3  ASP  29           2HB      ASP  29   1.004   5.466  -2.170
  162    HD2  ASP  29           HD       ASP  29   0.149   8.506  -0.831
  163    H    ASP  30           H        ASP  30   0.951   3.821  -1.340
  164    HA   ASP  30           HA       ASP  30   0.041   1.148  -1.419
  165    HB3  ASP  30           2HB      ASP  30   1.233   0.510  -3.255
  166    HD2  ASP  30           HD       ASP  30   2.741   2.028  -5.416
  167    H    TYR  31           H        TYR  31   0.405   0.604   0.736
  168    HA   TYR  31           HA       TYR  31   2.860   1.653   1.977
  169    HB3  TYR  31           2HB      TYR  31   0.111   2.020   2.571
  170    HD1  TYR  31           HD2      TYR  31  -0.602  -0.579   2.494
  171    HD2  TYR  31           HD1      TYR  31   1.367   1.349   5.767
  172    HE1  TYR  31           HE2      TYR  31  -1.468  -2.368   4.079
  173    HE2  TYR  31           HE1      TYR  31   0.493  -0.447   7.341
  174    HH   TYR  31           HH       TYR  31  -0.351  -2.550   7.376
  175    H    CYS  32           H        CYS  32   3.201   0.230   4.172
  176    HA   CYS  32           HA       CYS  32   3.695  -2.404   3.138
  177    HB3  CYS  32           2HB      CYS  32   5.477  -1.374   4.337
  178    H    ASN  33           H        ASN  33   2.115  -3.958   3.280
  179    HA   ASN  33           HA       ASN  33   0.026  -3.574   5.210
  180    HB3  ASN  33           2HB      ASN  33  -0.494  -4.280   2.856
  181   HD21  ASN  33          1HD2      ASN  33  -1.049  -6.736   1.995
  182   HD22  ASN  33          2HD2      ASN  33   0.377  -7.646   1.626
  183    H    GLY  34           H        GLY  34   3.007  -4.495   5.715
  184    HA2  GLY  34           1HA      GLY  34   3.978  -5.770   7.309
  185    HA3  GLY  34           2HA      GLY  34   2.404  -6.388   7.767
  186    H    LYS  35           H        LYS  35   2.895  -6.677   4.374
  187    HA   LYS  35           HA       LYS  35   3.976  -9.383   4.696
  188    HB3  LYS  35           2HB      LYS  35   1.691  -8.728   2.826
  189    HG3  LYS  35           2HG      LYS  35   3.399 -11.031   3.339
  190    HD3  LYS  35           2HD      LYS  35   1.130 -11.266   4.870
  191    HE3  LYS  35           2HE      LYS  35  -0.199 -13.020   3.405
  192    HZ1  LYS  35           1HZ      LYS  35  -0.635 -10.390   4.016
  193    HZ2  LYS  35           2HZ      LYS  35  -0.896 -10.424   2.409
  194    H    THR  36           H        THR  36   3.268  -6.580   2.536
  195    HA   THR  36           HA       THR  36   5.879  -6.838   1.371
  196    HB   THR  36           HB       THR  36   3.338  -7.546  -0.170
  197    HG1  THR  36           HG1      THR  36   4.527  -9.305   0.744
  198   HG21  THR  36          1HG2      THR  36   4.829  -7.618  -2.192
  199   HG22  THR  36          2HG2      THR  36   4.633  -5.957  -1.584
  200   HG23  THR  36          3HG2      THR  36   6.128  -6.860  -1.239
  201    H    CYS  37           H        CYS  37   6.046  -5.113  -0.515
  202    HA   CYS  37           HA       CYS  37   4.456  -2.803   0.329
  203    HB3  CYS  37           2HB      CYS  37   6.730  -2.727   1.313
  204    H    ASP  38           H        ASP  38   3.113  -2.568  -1.453
  205    HA   ASP  38           HA       ASP  38   4.165  -1.648  -3.821
  206    HB3  ASP  38           2HB      ASP  38   2.853  -4.122  -4.680
  207    HD2  ASP  38           HD       ASP  38   4.408  -1.869  -6.350
  208    H    CYS  39           H        CYS  39   2.119  -0.985  -1.908
  209    HA   CYS  39           HA       CYS  39   0.139   0.078  -2.308
  210    HB3  CYS  39           2HB      CYS  39   0.315  -0.761  -4.767
  211    HA   PRO  40           HA       PRO  40  -1.054  -3.960  -0.152
  212    HB3  PRO  40           2HB      PRO  40   0.828  -5.198   0.326
  213    HG3  PRO  40           2HG      PRO  40   2.823  -4.098  -0.043
  214    HD3  PRO  40           2HD      PRO  40   2.150  -2.547  -1.601
  215    H    ARG  41           H        ARG  41  -2.550  -2.029   0.073
  216    HA   ARG  41           HA       ARG  41  -3.121  -1.867   2.782
  217    HB3  ARG  41           2HB      ARG  41  -1.826   0.604   1.536
  218    HG3  ARG  41           2HG      ARG  41  -3.935   0.402   3.566
  219    HD3  ARG  41           2HD      ARG  41  -1.548   2.094   4.384
  220    HE   ARG  41           HE       ARG  41  -3.502   2.664   5.651
  221   HH11  ARG  41          2HH2      ARG  41  -2.708  -0.778   5.932
  222   HH12  ARG  41          1HH2      ARG  41  -3.725  -1.028   7.311
  223   HH22  ARG  41          1HH       ARG  41  -4.972   0.817   8.199
  224    H    ASN  42           H        ASN  42  -4.302  -2.413   0.103
  225    HA   ASN  42           HA       ASN  42  -6.208  -0.221  -0.051
  226    HB3  ASN  42           2HB      ASN  42  -5.375  -0.531  -2.242
  227   HD21  ASN  42          1HD2      ASN  42  -4.388  -2.705  -0.217
  228   HD22  ASN  42          2HD2      ASN  42  -3.723  -3.941  -1.231
  229    HA   PRO  43           HA       PRO  43  -8.293  -3.953   1.716
  230    HB3  PRO  43           2HB      PRO  43  -7.553  -3.916   3.896
  231    HG3  PRO  43           2HG      PRO  43  -6.368  -2.025   4.480
  232    HD3  PRO  43           2HD      PRO  43  -5.617  -1.359   2.411
  233    H    HIS  44           H        HIS  44  -9.315  -2.507  -0.257
  234    HA   HIS  44           HA       HIS  44 -11.887  -1.674   0.874
  235    HB3  HIS  44           2HB      HIS  44 -11.893   0.134  -0.440
  236    HD1  HIS  44           HD1      HIS  44  -9.283  -0.455   1.332
  237    HD2  HIS  44           HD2      HIS  44  -9.346   1.014  -2.596
  238    HE1  HIS  44           HE1      HIS  44  -7.076   0.778   0.994
  239    H    LYS  45           H        LYS  45 -12.954  -1.590  -1.975
  240    HA   LYS  45           HA       LYS  45 -14.547  -3.430  -2.377
  241    HB3  LYS  45           2HB      LYS  45 -13.818  -3.845  -4.737
  242    HG3  LYS  45           2HG      LYS  45 -13.497  -1.221  -5.174
  243    HD3  LYS  45           2HD      LYS  45 -15.777  -2.944  -4.621
  244    HE3  LYS  45           2HE      LYS  45 -15.782  -0.231  -3.368
  245    HZ1  LYS  45           1HZ      LYS  45 -18.205  -1.194  -4.777
  246    HZ2  LYS  45           2HZ      LYS  45 -18.001   0.238  -4.028
  247    H    GLY  46           H        GLY  46 -11.217  -4.547  -3.292
  248    HA2  GLY  46           1HA      GLY  46 -11.225  -6.758  -1.527
  249    HA3  GLY  46           2HA      GLY  46 -11.792  -7.261  -3.107
  250    HA   PRO  47           HA       PRO  47  -7.561  -5.720  -4.260
  251    HB3  PRO  47           2HB      PRO  47  -7.443  -3.431  -4.479
  252    HG3  PRO  47           2HG      PRO  47  -8.906  -2.258  -3.137
  253    HD3  PRO  47           2HD      PRO  47 -10.522  -3.858  -2.799
  254    H    ALA  48           H        ALA  48  -6.085  -4.221  -1.625
  255    HA   ALA  48           HA       ALA  48  -4.834  -4.982   0.049
  256    HB1  ALA  48           1HB      ALA  48  -6.538  -7.374  -0.505
  257    HB2  ALA  48           2HB      ALA  48  -5.038  -7.648   0.414
  258    HB3  ALA  48           3HB      ALA  48  -6.256  -6.499   1.019
  259    H    THR  49           H        THR  49  -2.647  -5.134  -0.117
  260    HA   THR  49           HA       THR  49  -1.554  -7.052  -2.039
  261    HB   THR  49           HB       THR  49  -1.443  -4.050  -2.143
  262    HG1  THR  49           HG1      THR  49  -2.235  -4.874  -4.039
  263   HG21  THR  49          1HG2      THR  49   0.761  -5.167  -3.653
  264   HG22  THR  49          2HG2      THR  49   0.817  -3.885  -2.420
  265   HG23  THR  49          3HG2      THR  49   0.987  -5.590  -1.939
  Start of MODEL   14
    1    H2   GLU   1           1H       GLU   1   6.623  -3.075  -3.847
    2    HA   GLU   1           HA       GLU   1   8.107  -3.898  -2.395
    3    HB3  GLU   1           2HB      GLU   1   6.945  -5.828  -3.372
    4    HG3  GLU   1           2HG      GLU   1   9.311  -6.034  -5.291
    5    HE2  GLU   1           HE       GLU   1   8.626  -8.823  -6.327
    6    H    CYS   2           H        CYS   2  10.240  -3.812  -1.704
    7    HA   CYS   2           HA       CYS   2  12.168  -3.147  -3.784
    8    HB3  CYS   2           2HB      CYS   2  12.279  -2.733  -0.789
    9    H    GLU   3           H        GLU   3  11.789  -5.099  -0.734
   10    HA   GLU   3           HA       GLU   3  13.708  -6.963  -1.899
   11    HB3  GLU   3           2HB      GLU   3  13.344  -6.322   1.061
   12    HG3  GLU   3           2HG      GLU   3  14.144  -8.574   0.893
   13    HE2  GLU   3           HE       GLU   3  16.798  -7.108  -0.574
   14    H    SER   4           H        SER   4  10.725  -6.413  -0.007
   15    HA   SER   4           HA       SER   4   9.201  -8.285  -0.916
   16    HB3  SER   4           2HB      SER   4  11.332  -9.636   0.675
   17    HG   SER   4           HG       SER   4   9.305 -11.327   0.814
   18    H    GLY   5           H        GLY   5  10.412  -6.382   1.647
   19    HA2  GLY   5           1HA      GLY   5   8.140  -6.937   3.425
   20    HA3  GLY   5           2HA      GLY   5   9.582  -6.016   3.807
   21    HA   PRO   6           HA       PRO   6   6.130  -3.326   2.085
   22    HB3  PRO   6           2HB      PRO   6   4.100  -4.091   2.856
   23    HG3  PRO   6           2HG      PRO   6   4.238  -5.739   4.463
   24    HD3  PRO   6           2HD      PRO   6   6.316  -6.599   3.988
   25    H    CYS   7           H        CYS   7   5.172  -1.128   3.244
   26    HA   CYS   7           HA       CYS   7   5.713   0.744   4.278
   27    HB3  CYS   7           2HB      CYS   7   7.969   0.546   5.769
   28    H    CYS   8           H        CYS   8   6.588  -0.021   1.623
   29    HA   CYS   8           HA       CYS   8   8.571   1.964   1.243
   30    HB3  CYS   8           2HB      CYS   8  10.322   0.598   1.638
   31    H    ARG   9           H        ARG   9   6.451   2.533   0.124
   32    HA   ARG   9           HA       ARG   9   4.987   1.423  -1.589
   33    HB3  ARG   9           2HB      ARG   9   5.352   3.950  -1.309
   34    HG3  ARG   9           2HG      ARG   9   6.689   5.021  -3.162
   35    HD3  ARG   9           2HD      ARG   9   9.005   3.932  -2.189
   36    HE   ARG   9           HE       ARG   9   7.599   5.601  -0.235
   37   HH11  ARG   9          2HH2      ARG   9   9.231   5.594  -3.379
   38   HH12  ARG   9          1HH2      ARG   9   9.597   7.287  -3.332
   39   HH22  ARG   9          1HH       ARG   9   8.913   8.583  -1.437
   40    H    ASN  10           H        ASN  10   8.470   2.042  -2.295
   41    HA   ASN  10           HA       ASN  10   8.274   0.014  -4.353
   42    HB3  ASN  10           2HB      ASN  10   8.226   2.436  -5.328
   43   HD21  ASN  10          1HD2      ASN  10   8.894   4.307  -4.578
   44   HD22  ASN  10          2HD2      ASN  10  10.528   4.763  -4.228
   45    H    CYS  11           H        CYS  11  10.323   2.270  -2.381
   46    HA   CYS  11           HA       CYS  11  11.845   0.263  -1.255
   47    HB3  CYS  11           2HB      CYS  11  13.442   1.656  -3.399
   48    H    LYS  12           H        LYS  12  10.405   2.645  -0.542
   49    HA   LYS  12           HA       LYS  12  12.374   3.940   1.011
   50    HB3  LYS  12           2HB      LYS  12  11.130   5.796  -1.008
   51    HG3  LYS  12           2HG      LYS  12  12.341   6.449   1.250
   52    HD3  LYS  12           2HD      LYS  12  14.342   4.866   0.352
   53    HE3  LYS  12           2HE      LYS  12  15.400   7.579  -0.449
   54    HZ1  LYS  12           1HZ      LYS  12  16.090   5.006  -1.677
   55    HZ2  LYS  12           2HZ      LYS  12  17.050   6.289  -1.389
   56    H    PHE  13           H        PHE  13  10.564   2.719   2.237
   57    HA   PHE  13           HA       PHE  13   8.167   2.850   2.671
   58    HB3  PHE  13           2HB      PHE  13  10.055   4.458   4.494
   59    HD1  PHE  13           HD1      PHE  13   6.691   3.187   4.050
   60    HD2  PHE  13           HD2      PHE  13   9.543   4.465   6.921
   61    HE1  PHE  13           HE1      PHE  13   4.864   3.444   5.750
   62    HE2  PHE  13           HE2      PHE  13   7.715   4.721   8.622
   63    HZ   PHE  13           HZ       PHE  13   5.398   4.208   8.017
   64    H    LEU  14           H        LEU  14   6.448   4.017   1.967
   65    HA   LEU  14           HA       LEU  14   6.734   6.753   1.286
   66    HB3  LEU  14           2HB      LEU  14   4.056   5.500   1.596
   67    HG   LEU  14           HG       LEU  14   3.608   6.397  -0.583
   68   HD11  LEU  14          1HD1      LEU  14   4.062   8.847  -0.187
   69   HD12  LEU  14          2HD1      LEU  14   3.252   7.985   1.144
   70   HD13  LEU  14          3HD1      LEU  14   4.987   8.364   1.255
   71   HD21  LEU  14          1HD2      LEU  14   5.245   7.576  -1.932
   72   HD22  LEU  14          2HD2      LEU  14   6.504   7.284  -0.707
   73   HD23  LEU  14          3HD2      LEU  14   5.799   5.916  -1.603
   74    H    LYS  15           H        LYS  15   4.282   5.306   3.532
   75    HA   LYS  15           HA       LYS  15   5.014   6.509   5.842
   76    HB3  LYS  15           2HB      LYS  15   5.025   8.693   4.968
   77    HG3  LYS  15           2HG      LYS  15   2.574   7.760   3.481
   78    HD3  LYS  15           2HD      LYS  15   2.426  10.419   3.002
   79    HE3  LYS  15           2HE      LYS  15   1.109   9.021   5.380
   80    HZ1  LYS  15           1HZ      LYS  15  -0.494  10.709   5.244
   81    HZ2  LYS  15           2HZ      LYS  15   0.887  11.553   5.076
   82    H    GLU  16           H        GLU  16   4.070   4.682   6.727
   83    HA   GLU  16           HA       GLU  16   2.175   3.168   6.367
   84    HB3  GLU  16           2HB      GLU  16   1.128   3.851   8.771
   85    HG3  GLU  16           2HG      GLU  16   4.022   2.925   8.505
   86    HE2  GLU  16           HE       GLU  16   1.019   2.047   9.792
   87    H    GLY  17           H        GLY  17   0.778   3.791   4.624
   88    HA2  GLY  17           1HA      GLY  17  -1.765   4.250   4.930
   89    HA3  GLY  17           2HA      GLY  17  -1.196   5.885   5.205
   90    H    THR  18           H        THR  18  -0.564   3.159   2.872
   91    HA   THR  18           HA       THR  18  -1.057   5.039   0.690
   92    HB   THR  18           HB       THR  18   1.199   3.451  -0.058
   93    HG1  THR  18           HG1      THR  18   2.589   4.198   1.798
   94   HG21  THR  18          1HG2      THR  18   0.452   6.209   0.009
   95   HG22  THR  18          2HG2      THR  18   1.969   6.088   0.931
   96   HG23  THR  18          3HG2      THR  18   1.902   5.512  -0.751
   97    H    ILE  19           H        ILE  19  -2.990   4.052   0.166
   98    HA   ILE  19           HA       ILE  19  -3.527   1.382   0.177
   99    HB   ILE  19           HB       ILE  19  -4.955   3.505  -0.347
  100   HG13  ILE  19          2HG1      ILE  19  -6.403   1.829  -0.064
  101   HG21  ILE  19          1HG2      ILE  19  -4.511   2.503  -3.166
  102   HG22  ILE  19          2HG2      ILE  19  -5.481   3.896  -2.630
  103   HG23  ILE  19          3HG2      ILE  19  -3.707   3.942  -2.494
  104   HD11  ILE  19          1HD1      ILE  19  -7.126   2.585  -2.314
  105   HD12  ILE  19          2HD1      ILE  19  -6.004   1.424  -3.064
  106   HD13  ILE  19          3HD1      ILE  19  -7.389   0.836  -2.114
  107    H    CYS  20           H        CYS  20  -3.942   0.005  -1.921
  108    HA   CYS  20           HA       CYS  20  -1.490   0.193  -3.517
  109    HB3  CYS  20           2HB      CYS  20  -2.994  -2.344  -2.861
  110    H    LYS  21           H        LYS  21  -5.018  -0.287  -3.331
  111    HA   LYS  21           HA       LYS  21  -5.289   0.477  -6.066
  112    HB3  LYS  21           2HB      LYS  21  -6.625  -1.639  -6.629
  113    HG3  LYS  21           2HG      LYS  21  -4.289  -2.932  -6.910
  114    HD3  LYS  21           2HD      LYS  21  -5.040  -0.298  -8.258
  115    HE3  LYS  21           2HE      LYS  21  -3.290  -2.418  -9.521
  116    HZ1  LYS  21           1HZ      LYS  21  -4.174   0.240 -10.108
  117    HZ2  LYS  21           2HZ      LYS  21  -2.553   0.129 -10.216
  118    H    ARG  22           H        ARG  22  -6.749   2.070  -5.701
  119    HA   ARG  22           HA       ARG  22  -8.391   2.249  -3.576
  120    HB3  ARG  22           2HB      ARG  22  -8.383   3.392  -6.353
  121    HG3  ARG  22           2HG      ARG  22 -10.805   2.900  -5.988
  122    HD3  ARG  22           2HD      ARG  22 -10.968   2.840  -3.567
  123    HE   ARG  22           HE       ARG  22  -9.518   4.355  -2.523
  124   HH11  ARG  22          2HH2      ARG  22 -11.540   6.116  -4.840
  125   HH12  ARG  22          1HH2      ARG  22 -10.991   7.675  -4.323
  126   HH22  ARG  22          1HH       ARG  22  -9.376   7.827  -2.558
  127    H    ALA  23           H        ALA  23  -9.534   0.338  -3.006
  128    HA   ALA  23           HA       ALA  23 -11.082  -1.054  -4.973
  129    HB1  ALA  23           1HB      ALA  23 -10.154  -1.418  -2.226
  130    HB2  ALA  23           2HB      ALA  23 -11.859  -1.889  -2.412
  131    HB3  ALA  23           3HB      ALA  23 -10.612  -2.635  -3.440
  132    H    ARG  24           H        ARG  24 -13.048  -1.212  -2.361
  133    HA   ARG  24           HA       ARG  24 -15.211  -0.191  -3.410
  134    HB3  ARG  24           2HB      ARG  24 -15.340  -1.267  -1.255
  135    HG3  ARG  24           2HG      ARG  24 -13.043   0.176  -0.635
  136    HD3  ARG  24           2HD      ARG  24 -15.157   1.070   1.359
  137    HE   ARG  24           HE       ARG  24 -12.312   1.858   0.842
  138   HH11  ARG  24          2HH2      ARG  24 -15.129   1.751   2.988
  139   HH12  ARG  24          1HH2      ARG  24 -14.259   2.339   4.365
  140   HH22  ARG  24          1HH       ARG  24 -11.928   2.852   4.149
  141    H    GLY  25           H        GLY  25 -13.023   1.752  -1.233
  142    HA2  GLY  25           1HA      GLY  25 -12.919   4.045  -2.748
  143    HA3  GLY  25           2HA      GLY  25 -14.368   4.211  -1.777
  144    H    ASP  26           H        ASP  26 -10.982   4.645  -1.855
  145    HA   ASP  26           HA       ASP  26 -10.500   6.073   0.157
  146    HB3  ASP  26           2HB      ASP  26 -11.153   3.355   1.298
  147    HD2  ASP  26           HD       ASP  26  -8.472   5.460   3.409
  148    H    ASP  27           H        ASP  27  -8.924   5.827  -1.825
  149    HA   ASP  27           HA       ASP  27  -6.906   3.815  -1.282
  150    HB3  ASP  27           2HB      ASP  27  -7.997   5.075  -3.674
  151    HD2  ASP  27           HD       ASP  27  -6.346   7.169  -4.441
  152    H    MET  28           H        MET  28  -4.537   4.656  -1.701
  153    HA   MET  28           HA       MET  28  -4.304   7.463  -1.000
  154    HB3  MET  28           2HB      MET  28  -2.874   7.009   0.868
  155    HG3  MET  28           2HG      MET  28  -4.294   4.497   1.419
  156    HE1  MET  28           1HE      MET  28  -5.747   8.325   3.317
  157    HE2  MET  28           2HE      MET  28  -4.580   8.613   2.005
  158    HE3  MET  28           3HE      MET  28  -6.060   7.676   1.690
  159    H    ASP  29           H        ASP  29  -2.257   4.496  -1.542
  160    HA   ASP  29           HA       ASP  29  -1.305   5.353  -3.980
  161    HB3  ASP  29           2HB      ASP  29   1.163   5.545  -2.596
  162    HD2  ASP  29           HD       ASP  29   0.881   8.331  -2.145
  163    H    ASP  30           H        ASP  30   1.009   4.305  -1.455
  164    HA   ASP  30           HA       ASP  30   0.418   1.546  -1.850
  165    HB3  ASP  30           2HB      ASP  30   2.405   0.887  -2.945
  166    HD2  ASP  30           HD       ASP  30   1.648   2.011  -5.998
  167    H    TYR  31           H        TYR  31   0.420   1.081   0.371
  168    HA   TYR  31           HA       TYR  31   2.678   2.126   1.939
  169    HB3  TYR  31           2HB      TYR  31  -0.195   2.122   2.208
  170    HD1  TYR  31           HD2      TYR  31  -0.919  -0.311   2.284
  171    HD2  TYR  31           HD1      TYR  31   1.353   1.516   5.416
  172    HE1  TYR  31           HE2      TYR  31  -1.600  -2.173   3.876
  173    HE2  TYR  31           HE1      TYR  31   0.664  -0.352   6.996
  174    HH   TYR  31           HH       TYR  31  -1.011  -1.958   7.259
  175    H    CYS  32           H        CYS  32   3.172   0.640   3.919
  176    HA   CYS  32           HA       CYS  32   4.089  -1.778   2.915
  177    HB3  CYS  32           2HB      CYS  32   5.348  -1.393   4.702
  178    H    ASN  33           H        ASN  33   3.264  -3.453   5.307
  179    HA   ASN  33           HA       ASN  33   0.765  -3.812   5.861
  180    HB3  ASN  33           2HB      ASN  33   0.365  -3.603   3.280
  181   HD21  ASN  33          1HD2      ASN  33  -0.673  -6.247   2.432
  182   HD22  ASN  33          2HD2      ASN  33   0.645  -7.075   1.672
  183    H    GLY  34           H        GLY  34   3.427  -4.615   6.602
  184    HA2  GLY  34           1HA      GLY  34   4.799  -6.448   6.901
  185    HA3  GLY  34           2HA      GLY  34   3.360  -6.929   7.778
  186    H    LYS  35           H        LYS  35   4.832  -7.005   4.465
  187    HA   LYS  35           HA       LYS  35   4.633  -9.706   4.122
  188    HB3  LYS  35           2HB      LYS  35   2.257  -8.463   2.738
  189    HG3  LYS  35           2HG      LYS  35   3.268 -11.264   3.359
  190    HD3  LYS  35           2HD      LYS  35   0.446 -10.357   2.650
  191    HE3  LYS  35           2HE      LYS  35   1.762 -13.089   2.298
  192    HZ1  LYS  35           1HZ      LYS  35  -0.273 -14.013   2.486
  193    HZ2  LYS  35           2HZ      LYS  35  -0.761 -12.655   3.241
  194    H    THR  36           H        THR  36   4.324  -6.439   2.698
  195    HA   THR  36           HA       THR  36   6.595  -6.510   1.223
  196    HB   THR  36           HB       THR  36   4.448  -8.164   0.020
  197    HG1  THR  36           HG1      THR  36   7.264  -7.511  -0.507
  198   HG21  THR  36          1HG2      THR  36   4.115  -6.278  -1.506
  199   HG22  THR  36          2HG2      THR  36   5.869  -5.988  -1.597
  200   HG23  THR  36          3HG2      THR  36   5.171  -7.453  -2.328
  201    H    CYS  37           H        CYS  37   6.963  -4.564   0.170
  202    HA   CYS  37           HA       CYS  37   4.862  -2.629   0.644
  203    HB3  CYS  37           2HB      CYS  37   6.949  -1.953   1.491
  204    H    ASP  38           H        ASP  38   3.425  -3.391  -1.096
  205    HA   ASP  38           HA       ASP  38   4.471  -2.643  -3.713
  206    HB3  ASP  38           2HB      ASP  38   2.350  -4.753  -3.096
  207    HD2  ASP  38           HD       ASP  38   3.780  -6.124  -5.565
  208    H    CYS  39           H        CYS  39   2.703  -1.501  -1.269
  209    HA   CYS  39           HA       CYS  39   1.315   0.289  -1.393
  210    HB3  CYS  39           2HB      CYS  39   1.549   0.354  -3.887
  211    HA   PRO  40           HA       PRO  40  -1.509  -3.330  -0.405
  212    HB3  PRO  40           2HB      PRO  40  -0.180  -5.100   0.227
  213    HG3  PRO  40           2HG      PRO  40   2.054  -4.587   0.477
  214    HD3  PRO  40           2HD      PRO  40   2.205  -2.744  -0.889
  215    H    ARG  41           H        ARG  41  -2.485  -1.096  -0.162
  216    HA   ARG  41           HA       ARG  41  -3.206  -0.971   2.623
  217    HB3  ARG  41           2HB      ARG  41  -1.913   1.279   1.046
  218    HG3  ARG  41           2HG      ARG  41  -4.231   1.505   2.835
  219    HD3  ARG  41           2HD      ARG  41  -2.736   3.695   3.741
  220    HE   ARG  41           HE       ARG  41  -2.806   1.567   5.669
  221   HH11  ARG  41          2HH2      ARG  41  -4.991   3.501   3.659
  222   HH12  ARG  41          1HH2      ARG  41  -6.336   3.330   4.737
  223   HH22  ARG  41          1HH       ARG  41  -6.071   2.055   6.750
  224    H    ASN  42           H        ASN  42  -4.616  -1.972   0.312
  225    HA   ASN  42           HA       ASN  42  -6.579   0.148  -0.072
  226    HB3  ASN  42           2HB      ASN  42  -6.019  -0.367  -2.275
  227   HD21  ASN  42          1HD2      ASN  42  -4.038  -1.482  -0.559
  228   HD22  ASN  42          2HD2      ASN  42  -3.382  -2.896  -1.313
  229    HA   PRO  43           HA       PRO  43  -8.408  -3.344   2.316
  230    HB3  PRO  43           2HB      PRO  43  -7.646  -2.868   4.435
  231    HG3  PRO  43           2HG      PRO  43  -6.593  -0.826   4.644
  232    HD3  PRO  43           2HD      PRO  43  -5.918  -0.491   2.472
  233    H    HIS  44           H        HIS  44  -9.388  -1.478   0.248
  234    HA   HIS  44           HA       HIS  44 -12.053  -0.958   1.253
  235    HB3  HIS  44           2HB      HIS  44 -12.195   0.626  -0.333
  236    HD1  HIS  44           HD1      HIS  44  -9.297  -0.059   1.362
  237    HD2  HIS  44           HD2      HIS  44  -9.962   1.989  -2.238
  238    HE1  HIS  44           HE1      HIS  44  -7.272   1.456   1.017
  239    H    LYS  45           H        LYS  45 -13.248  -1.286  -1.479
  240    HA   LYS  45           HA       LYS  45 -14.739  -3.197  -1.668
  241    HB3  LYS  45           2HB      LYS  45 -13.908  -3.987  -3.931
  242    HG3  LYS  45           2HG      LYS  45 -13.644  -1.009  -3.947
  243    HD3  LYS  45           2HD      LYS  45 -15.553  -1.261  -5.555
  244    HE3  LYS  45           2HE      LYS  45 -12.967  -2.767  -5.865
  245    HZ1  LYS  45           1HZ      LYS  45 -14.734  -4.117  -6.996
  246    HZ2  LYS  45           2HZ      LYS  45 -15.088  -2.839  -7.940
  247    H    GLY  46           H        GLY  46 -11.427  -4.428  -2.474
  248    HA2  GLY  46           1HA      GLY  46 -11.200  -6.244  -0.373
  249    HA3  GLY  46           2HA      GLY  46 -12.050  -7.065  -1.667
  250    HA   PRO  47           HA       PRO  47  -8.061  -6.007  -3.832
  251    HB3  PRO  47           2HB      PRO  47  -7.890  -3.800  -4.469
  252    HG3  PRO  47           2HG      PRO  47  -9.039  -2.319  -3.124
  253    HD3  PRO  47           2HD      PRO  47 -10.631  -3.721  -2.238
  254    H    ALA  48           H        ALA  48  -6.362  -4.183  -1.443
  255    HA   ALA  48           HA       ALA  48  -4.846  -4.763   0.064
  256    HB1  ALA  48           1HB      ALA  48  -5.801  -6.247   1.457
  257    HB2  ALA  48           2HB      ALA  48  -6.756  -6.951   0.129
  258    HB3  ALA  48           3HB      ALA  48  -5.111  -7.548   0.457
  259    H    THR  49           H        THR  49  -2.669  -5.073  -0.217
  260    HA   THR  49           HA       THR  49  -1.843  -7.056  -2.214
  261    HB   THR  49           HB       THR  49  -1.166  -4.075  -2.120
  262    HG1  THR  49           HG1      THR  49  -1.726  -5.002  -4.556
  263   HG21  THR  49          1HG2      THR  49   0.585  -4.405  -3.648
  264   HG22  THR  49          2HG2      THR  49   0.793  -5.854  -2.636
  265   HG23  THR  49          3HG2      THR  49  -0.058  -5.972  -4.195
  Start of MODEL   15
    1    H2   GLU   1           1H       GLU   1  11.797  -4.970   2.316
    2    HA   GLU   1           HA       GLU   1   9.668  -3.133   1.872
    3    HB3  GLU   1           2HB      GLU   1  10.080  -2.776   4.292
    4    HG3  GLU   1           2HG      GLU   1  12.578  -1.422   4.258
    5    HE2  GLU   1           HE       GLU   1  13.541  -3.999   6.540
    6    H    CYS   2           H        CYS   2  11.021  -4.114  -0.139
    7    HA   CYS   2           HA       CYS   2  12.126  -2.109  -1.490
    8    HB3  CYS   2           2HB      CYS   2  14.681  -3.116  -1.141
    9    H    GLU   3           H        GLU   3  12.146  -5.512  -0.523
   10    HA   GLU   3           HA       GLU   3  11.879  -6.263  -3.252
   11    HB3  GLU   3           2HB      GLU   3  14.226  -7.441  -1.706
   12    HG3  GLU   3           2HG      GLU   3  12.980  -8.716  -3.640
   13    HE2  GLU   3           HE       GLU   3  12.024  -6.807  -5.592
   14    H    SER   4           H        SER   4   9.824  -6.560  -1.773
   15    HA   SER   4           HA       SER   4   8.457  -8.343  -1.441
   16    HB3  SER   4           2HB      SER   4  10.724  -9.907  -0.157
   17    HG   SER   4           HG       SER   4   9.330 -11.553  -0.235
   18    H    GLY   5           H        GLY   5   8.494  -6.111   0.023
   19    HA2  GLY   5           1HA      GLY   5   7.793  -6.989   2.655
   20    HA3  GLY   5           2HA      GLY   5   9.297  -6.090   2.644
   21    HA   PRO   6           HA       PRO   6   5.515  -3.329   2.049
   22    HB3  PRO   6           2HB      PRO   6   3.673  -4.221   3.104
   23    HG3  PRO   6           2HG      PRO   6   4.122  -6.037   4.453
   24    HD3  PRO   6           2HD      PRO   6   6.066  -6.792   3.487
   25    H    CYS   7           H        CYS   7   5.170  -1.102   2.814
   26    HA   CYS   7           HA       CYS   7   5.830   0.711   3.921
   27    HB3  CYS   7           2HB      CYS   7   8.114   0.092   5.418
   28    H    CYS   8           H        CYS   8   6.520   0.222   1.326
   29    HA   CYS   8           HA       CYS   8   8.709   1.825   0.909
   30    HB3  CYS   8           2HB      CYS   8   9.696  -0.549   1.762
   31    H    ARG   9           H        ARG   9   6.460   2.225  -0.231
   32    HA   ARG   9           HA       ARG   9   5.120   1.078  -1.970
   33    HB3  ARG   9           2HB      ARG   9   4.848   3.355  -2.275
   34    HG3  ARG   9           2HG      ARG   9   7.611   4.172  -2.947
   35    HD3  ARG   9           2HD      ARG   9   5.325   5.074  -1.201
   36    HE   ARG   9           HE       ARG   9   7.413   5.237   0.237
   37   HH11  ARG   9          2HH2      ARG   9   6.874   7.580  -2.365
   38   HH12  ARG   9          1HH2      ARG   9   7.848   8.808  -1.629
   39   HH22  ARG   9          1HH       ARG   9   8.911   8.362   0.471
   40    H    ASN  10           H        ASN  10   8.566   1.896  -2.776
   41    HA   ASN  10           HA       ASN  10   8.463  -0.290  -4.693
   42    HB3  ASN  10           2HB      ASN  10   8.432   1.901  -5.911
   43   HD21  ASN  10          1HD2      ASN  10   8.455   3.624  -4.390
   44   HD22  ASN  10          2HD2      ASN  10   9.901   4.518  -4.061
   45    H    CYS  11           H        CYS  11  10.391   1.958  -2.614
   46    HA   CYS  11           HA       CYS  11  11.883  -0.030  -1.436
   47    HB3  CYS  11           2HB      CYS  11  13.477   1.347  -3.606
   48    H    LYS  12           H        LYS  12  10.429   2.227  -0.630
   49    HA   LYS  12           HA       LYS  12  12.354   3.592   0.907
   50    HB3  LYS  12           2HB      LYS  12  12.928   4.884  -0.976
   51    HG3  LYS  12           2HG      LYS  12   9.927   5.036  -1.501
   52    HD3  LYS  12           2HD      LYS  12  11.276   7.256  -1.800
   53    HE3  LYS  12           2HE      LYS  12  12.211   5.785  -4.303
   54    HZ1  LYS  12           1HZ      LYS  12  11.977   8.429  -3.811
   55    HZ2  LYS  12           2HZ      LYS  12  13.520   8.180  -3.354
   56    H    PHE  13           H        PHE  13  10.837   2.534   2.396
   57    HA   PHE  13           HA       PHE  13   8.340   2.477   2.772
   58    HB3  PHE  13           2HB      PHE  13  10.400   3.911   4.532
   59    HD1  PHE  13           HD1      PHE  13   6.905   2.662   4.515
   60    HD2  PHE  13           HD2      PHE  13   9.929   4.689   6.697
   61    HE1  PHE  13           HE1      PHE  13   5.217   3.304   6.258
   62    HE2  PHE  13           HE2      PHE  13   8.241   5.331   8.440
   63    HZ   PHE  13           HZ       PHE  13   5.905   4.631   8.200
   64    H    LEU  14           H        LEU  14   6.456   3.646   2.694
   65    HA   LEU  14           HA       LEU  14   6.679   6.391   1.862
   66    HB3  LEU  14           2HB      LEU  14   5.075   5.395   0.624
   67    HG   LEU  14           HG       LEU  14   3.222   3.936   1.671
   68   HD11  LEU  14          1HD1      LEU  14   4.976   3.179   0.072
   69   HD12  LEU  14          2HD1      LEU  14   5.999   2.746   1.463
   70   HD13  LEU  14          3HD1      LEU  14   4.441   1.920   1.212
   71   HD21  LEU  14          1HD2      LEU  14   4.485   2.533   3.587
   72   HD22  LEU  14          2HD2      LEU  14   5.142   4.152   3.922
   73   HD23  LEU  14          3HD2      LEU  14   3.381   3.888   3.925
   74    H    LYS  15           H        LYS  15   3.835   5.844   3.696
   75    HA   LYS  15           HA       LYS  15   4.962   6.711   6.199
   76    HB3  LYS  15           2HB      LYS  15   4.870   8.836   5.012
   77    HG3  LYS  15           2HG      LYS  15   1.856   8.541   4.830
   78    HD3  LYS  15           2HD      LYS  15   3.979  10.326   3.573
   79    HE3  LYS  15           2HE      LYS  15   1.913  11.374   2.403
   80    HZ1  LYS  15           1HZ      LYS  15   2.699  10.309   0.598
   81    HZ2  LYS  15           2HZ      LYS  15   3.650   9.415   1.572
   82    H    GLU  16           H        GLU  16   3.879   4.306   5.839
   83    HA   GLU  16           HA       GLU  16   2.074   3.014   6.047
   84    HB3  GLU  16           2HB      GLU  16   1.093   3.385   8.449
   85    HG3  GLU  16           2HG      GLU  16   4.105   3.088   8.023
   86    HE2  GLU  16           HE       GLU  16   2.086   1.156  10.525
   87    H    GLY  17           H        GLY  17   0.587   3.577   4.393
   88    HA2  GLY  17           1HA      GLY  17  -1.926   3.992   4.688
   89    HA3  GLY  17           2HA      GLY  17  -1.419   5.622   5.085
   90    H    THR  18           H        THR  18  -0.656   3.106   2.561
   91    HA   THR  18           HA       THR  18  -1.281   5.087   0.513
   92    HB   THR  18           HB       THR  18   1.216   3.592  -0.033
   93    HG1  THR  18           HG1      THR  18   1.043   4.153   2.418
   94   HG21  THR  18          1HG2      THR  18   1.804   5.566  -1.081
   95   HG22  THR  18          2HG2      THR  18   0.072   5.944  -0.935
   96   HG23  THR  18          3HG2      THR  18   1.222   6.562   0.274
   97    H    ILE  19           H        ILE  19  -3.197   3.593   0.578
   98    HA   ILE  19           HA       ILE  19  -3.163   0.945   0.070
   99    HB   ILE  19           HB       ILE  19  -5.254   1.741   0.365
  100   HG13  ILE  19          2HG1      ILE  19  -6.436   0.927  -1.364
  101   HG21  ILE  19          1HG2      ILE  19  -4.982   4.047   0.370
  102   HG22  ILE  19          2HG2      ILE  19  -4.406   4.089  -1.313
  103   HG23  ILE  19          3HG2      ILE  19  -6.124   3.780  -0.967
  104   HD11  ILE  19          1HD1      ILE  19  -6.823   2.273  -3.140
  105   HD12  ILE  19          2HD1      ILE  19  -5.458   3.301  -2.639
  106   HD13  ILE  19          3HD1      ILE  19  -5.186   1.944  -3.760
  107    H    CYS  20           H        CYS  20  -3.286  -0.381  -1.875
  108    HA   CYS  20           HA       CYS  20  -1.351   0.496  -3.786
  109    HB3  CYS  20           2HB      CYS  20  -2.981  -2.051  -3.747
  110    H    LYS  21           H        LYS  21  -4.832  -0.575  -3.835
  111    HA   LYS  21           HA       LYS  21  -5.212   1.205  -6.128
  112    HB3  LYS  21           2HB      LYS  21  -6.727  -0.554  -7.109
  113    HG3  LYS  21           2HG      LYS  21  -4.739  -2.036  -7.852
  114    HD3  LYS  21           2HD      LYS  21  -4.855   0.980  -8.089
  115    HE3  LYS  21           2HE      LYS  21  -2.725  -0.859  -9.282
  116    HZ1  LYS  21           1HZ      LYS  21  -3.928   1.226 -10.549
  117    HZ2  LYS  21           2HZ      LYS  21  -2.633   1.954  -9.880
  118    H    ARG  22           H        ARG  22  -7.434   1.986  -6.355
  119    HA   ARG  22           HA       ARG  22  -8.593   2.258  -3.750
  120    HB3  ARG  22           2HB      ARG  22  -8.728   3.692  -6.362
  121    HG3  ARG  22           2HG      ARG  22 -11.147   2.891  -5.859
  122    HD3  ARG  22           2HD      ARG  22 -11.420   3.138  -3.519
  123    HE   ARG  22           HE       ARG  22  -9.623   4.502  -2.745
  124   HH11  ARG  22          2HH2      ARG  22 -11.995   6.416  -4.553
  125   HH12  ARG  22          1HH2      ARG  22 -11.373   7.935  -4.003
  126   HH22  ARG  22          1HH       ARG  22  -9.496   7.966  -2.514
  127    H    ALA  23           H        ALA  23  -9.809   0.436  -3.186
  128    HA   ALA  23           HA       ALA  23 -11.419  -0.872  -5.187
  129    HB1  ALA  23           1HB      ALA  23 -12.057  -1.996  -2.751
  130    HB2  ALA  23           2HB      ALA  23 -10.720  -2.525  -3.800
  131    HB3  ALA  23           3HB      ALA  23 -10.407  -1.396  -2.461
  132    H    ARG  24           H        ARG  24 -12.940  -0.905  -2.122
  133    HA   ARG  24           HA       ARG  24 -15.300   0.011  -3.013
  134    HB3  ARG  24           2HB      ARG  24 -15.182  -1.108  -0.879
  135    HG3  ARG  24           2HG      ARG  24 -12.831   0.297  -0.484
  136    HD3  ARG  24           2HD      ARG  24 -14.713   1.259   1.702
  137    HE   ARG  24           HE       ARG  24 -11.908   1.933   0.905
  138   HH11  ARG  24          2HH2      ARG  24 -14.534   2.075   3.279
  139   HH12  ARG  24          1HH2      ARG  24 -13.525   2.694   4.544
  140   HH22  ARG  24          1HH       ARG  24 -11.201   3.082   4.106
  141    H    GLY  25           H        GLY  25 -12.821   1.912  -1.139
  142    HA2  GLY  25           1HA      GLY  25 -12.946   4.237  -2.594
  143    HA3  GLY  25           2HA      GLY  25 -14.234   4.381  -1.414
  144    H    ASP  26           H        ASP  26 -10.886   4.793  -1.987
  145    HA   ASP  26           HA       ASP  26 -10.090   6.191  -0.063
  146    HB3  ASP  26           2HB      ASP  26 -10.609   3.475   1.159
  147    HD2  ASP  26           HD       ASP  26  -7.719   3.321   2.987
  148    H    ASP  27           H        ASP  27  -8.922   5.749  -2.360
  149    HA   ASP  27           HA       ASP  27  -6.910   3.708  -2.137
  150    HB3  ASP  27           2HB      ASP  27  -8.258   5.080  -4.265
  151    HD2  ASP  27           HD       ASP  27  -6.016   7.254  -5.680
  152    H    MET  28           H        MET  28  -4.555   4.426  -2.765
  153    HA   MET  28           HA       MET  28  -4.003   7.171  -2.087
  154    HB3  MET  28           2HB      MET  28  -2.215   6.349  -0.418
  155    HG3  MET  28           2HG      MET  28  -4.104   5.522   1.296
  156    HE1  MET  28           1HE      MET  28  -5.753   9.420   0.651
  157    HE2  MET  28           2HE      MET  28  -6.286   7.734   0.455
  158    HE3  MET  28           3HE      MET  28  -5.992   8.391   2.082
  159    H    ASP  29           H        ASP  29  -1.655   4.488  -1.836
  160    HA   ASP  29           HA       ASP  29  -0.861   4.799  -4.559
  161    HB3  ASP  29           2HB      ASP  29   1.530   5.140  -2.937
  162    HD2  ASP  29           HD       ASP  29   0.121   8.106  -4.480
  163    H    ASP  30           H        ASP  30   1.262   4.034  -1.747
  164    HA   ASP  30           HA       ASP  30   0.683   1.248  -1.929
  165    HB3  ASP  30           2HB      ASP  30   2.711   0.483  -2.805
  166    HD2  ASP  30           HD       ASP  30   3.542   3.053  -5.515
  167    H    TYR  31           H        TYR  31   0.752   0.606   0.230
  168    HA   TYR  31           HA       TYR  31   2.685   1.988   1.968
  169    HB3  TYR  31           2HB      TYR  31  -0.195   1.821   1.967
  170    HD1  TYR  31           HD2      TYR  31  -0.695  -0.695   2.103
  171    HD2  TYR  31           HD1      TYR  31   0.978   1.532   5.351
  172    HE1  TYR  31           HE2      TYR  31  -1.421  -2.508   3.731
  173    HE2  TYR  31           HE1      TYR  31   0.246  -0.289   6.967
  174    HH   TYR  31           HH       TYR  31  -0.568  -2.295   7.165
  175    H    CYS  32           H        CYS  32   2.802   0.576   4.174
  176    HA   CYS  32           HA       CYS  32   3.654  -2.033   3.236
  177    HB3  CYS  32           2HB      CYS  32   5.338  -0.879   4.421
  178    H    ASN  33           H        ASN  33   1.999  -3.536   3.269
  179    HA   ASN  33           HA       ASN  33  -0.014  -3.274   5.305
  180    HB3  ASN  33           2HB      ASN  33   0.130  -4.358   2.626
  181   HD21  ASN  33          1HD2      ASN  33  -0.039  -6.306   1.797
  182   HD22  ASN  33          2HD2      ASN  33  -0.325  -7.781   2.657
  183    H    GLY  34           H        GLY  34   3.009  -4.315   5.479
  184    HA2  GLY  34           1HA      GLY  34   3.981  -5.666   7.043
  185    HA3  GLY  34           2HA      GLY  34   2.435  -6.419   7.380
  186    H    LYS  35           H        LYS  35   2.283  -6.594   4.167
  187    HA   LYS  35           HA       LYS  35   3.550  -9.221   4.133
  188    HB3  LYS  35           2HB      LYS  35   1.608  -8.027   2.137
  189    HG3  LYS  35           2HG      LYS  35   3.183 -10.316   1.986
  190    HD3  LYS  35           2HD      LYS  35   0.381 -11.176   2.832
  191    HE3  LYS  35           2HE      LYS  35   2.842 -12.537   1.776
  192    HZ1  LYS  35           1HZ      LYS  35   1.010 -13.980   3.595
  193    HZ2  LYS  35           2HZ      LYS  35   2.442 -14.488   3.010
  194    H    THR  36           H        THR  36   3.208  -6.299   1.993
  195    HA   THR  36           HA       THR  36   6.017  -6.372   1.418
  196    HB   THR  36           HB       THR  36   5.517  -6.663  -1.109
  197    HG1  THR  36           HG1      THR  36   3.426  -7.671  -1.463
  198   HG21  THR  36          1HG2      THR  36   6.348  -8.559   0.542
  199   HG22  THR  36          2HG2      THR  36   4.669  -9.141   0.436
  200   HG23  THR  36          3HG2      THR  36   5.669  -9.035  -1.033
  201    H    CYS  37           H        CYS  37   6.658  -4.555  -0.046
  202    HA   CYS  37           HA       CYS  37   4.883  -2.328   0.538
  203    HB3  CYS  37           2HB      CYS  37   7.139  -2.080   1.331
  204    H    ASP  38           H        ASP  38   3.787  -3.925  -1.403
  205    HA   ASP  38           HA       ASP  38   4.694  -2.858  -3.936
  206    HB3  ASP  38           2HB      ASP  38   2.371  -4.646  -4.047
  207    HD2  ASP  38           HD       ASP  38   4.848  -3.517  -5.933
  208    H    CYS  39           H        CYS  39   2.832  -1.765  -1.501
  209    HA   CYS  39           HA       CYS  39   1.457   0.039  -1.648
  210    HB3  CYS  39           2HB      CYS  39   1.778   0.099  -4.152
  211    HA   PRO  40           HA       PRO  40  -1.408  -3.599  -0.842
  212    HB3  PRO  40           2HB      PRO  40  -0.113  -5.415  -0.268
  213    HG3  PRO  40           2HG      PRO  40   2.125  -4.945   0.036
  214    HD3  PRO  40           2HD      PRO  40   2.321  -3.047  -1.245
  215    H    ARG  41           H        ARG  41  -2.292  -1.311  -0.512
  216    HA   ARG  41           HA       ARG  41  -3.056  -1.305   2.274
  217    HB3  ARG  41           2HB      ARG  41  -1.880   1.067   0.753
  218    HG3  ARG  41           2HG      ARG  41  -4.049   1.123   2.632
  219    HD3  ARG  41           2HD      ARG  41  -1.603   2.544   3.750
  220    HE   ARG  41           HE       ARG  41  -3.670   3.357   4.707
  221   HH11  ARG  41          2HH2      ARG  41  -3.145  -0.100   5.279
  222   HH12  ARG  41          1HH2      ARG  41  -4.304  -0.191   6.564
  223   HH22  ARG  41          1HH       ARG  41  -5.499   1.784   7.207
  224    H    ASN  42           H        ASN  42  -4.450  -2.212  -0.105
  225    HA   ASN  42           HA       ASN  42  -6.356  -0.055  -0.516
  226    HB3  ASN  42           2HB      ASN  42  -6.152  -0.717  -2.697
  227   HD21  ASN  42          1HD2      ASN  42  -3.819  -1.156  -1.182
  228   HD22  ASN  42          2HD2      ASN  42  -2.924  -2.467  -1.875
  229    HA   PRO  43           HA       PRO  43  -8.313  -3.315   2.112
  230    HB3  PRO  43           2HB      PRO  43  -7.415  -2.844   4.179
  231    HG3  PRO  43           2HG      PRO  43  -6.190  -0.891   4.275
  232    HD3  PRO  43           2HD      PRO  43  -5.594  -0.675   2.066
  233    H    HIS  44           H        HIS  44  -9.212  -1.333   0.066
  234    HA   HIS  44           HA       HIS  44 -11.724  -0.468   1.131
  235    HB3  HIS  44           2HB      HIS  44 -11.914   0.790  -0.758
  236    HD1  HIS  44           HD1      HIS  44  -8.928   0.036   0.951
  237    HD2  HIS  44           HD2      HIS  44  -9.748   2.027  -2.649
  238    HE1  HIS  44           HE1      HIS  44  -6.889   1.487   0.457
  239    H    LYS  45           H        LYS  45 -13.038  -1.084  -1.590
  240    HA   LYS  45           HA       LYS  45 -14.802  -2.851  -1.178
  241    HB3  LYS  45           2HB      LYS  45 -14.518  -3.794  -3.489
  242    HG3  LYS  45           2HG      LYS  45 -14.205  -1.245  -4.444
  243    HD3  LYS  45           2HD      LYS  45 -16.738  -1.439  -2.983
  244    HE3  LYS  45           2HE      LYS  45 -15.835  -1.515  -5.886
  245    HZ1  LYS  45           1HZ      LYS  45 -17.793  -2.490  -6.358
  246    HZ2  LYS  45           2HZ      LYS  45 -18.310  -2.447  -4.814
  247    H    GLY  46           H        GLY  46 -11.605  -4.198  -2.279
  248    HA2  GLY  46           1HA      GLY  46 -11.260  -5.980  -0.178
  249    HA3  GLY  46           2HA      GLY  46 -12.222  -6.814  -1.382
  250    HA   PRO  47           HA       PRO  47  -8.394  -5.881  -3.872
  251    HB3  PRO  47           2HB      PRO  47  -8.236  -3.692  -4.571
  252    HG3  PRO  47           2HG      PRO  47  -9.250  -2.160  -3.177
  253    HD3  PRO  47           2HD      PRO  47 -10.793  -3.512  -2.139
  254    H    ALA  48           H        ALA  48  -6.378  -4.039  -1.808
  255    HA   ALA  48           HA       ALA  48  -4.837  -4.631  -0.309
  256    HB1  ALA  48           1HB      ALA  48  -5.432  -7.549  -0.324
  257    HB2  ALA  48           2HB      ALA  48  -5.185  -6.437   1.044
  258    HB3  ALA  48           3HB      ALA  48  -6.755  -6.483   0.207
  259    H    THR  49           H        THR  49  -2.657  -5.007  -0.646
  260    HA   THR  49           HA       THR  49  -1.983  -6.737  -2.929
  261    HB   THR  49           HB       THR  49  -1.653  -3.834  -2.592
  262    HG1  THR  49           HG1      THR  49  -1.134  -5.939  -4.568
  263   HG21  THR  49          1HG2      THR  49   0.800  -5.525  -3.312
  264   HG22  THR  49          2HG2      THR  49   0.658  -3.764  -3.534
  265   HG23  THR  49          3HG2      THR  49   0.672  -4.456  -1.895
  Start of MODEL   16
    1    H2   GLU   1           1H       GLU   1   7.889  -5.976  -3.336
    2    HA   GLU   1           HA       GLU   1   8.431  -3.548  -2.489
    3    HB3  GLU   1           2HB      GLU   1   8.647  -5.406  -0.178
    4    HG3  GLU   1           2HG      GLU   1  11.087  -4.723  -0.991
    5    HE2  GLU   1           HE       GLU   1  10.477  -2.836   1.596
    6    H    CYS   2           H        CYS   2  10.804  -2.977  -2.624
    7    HA   CYS   2           HA       CYS   2  12.076  -3.965  -4.685
    8    HB3  CYS   2           2HB      CYS   2  14.029  -3.581  -2.562
    9    H    GLU   3           H        GLU   3  12.670  -5.193  -1.302
   10    HA   GLU   3           HA       GLU   3  13.632  -7.649  -2.531
   11    HB3  GLU   3           2HB      GLU   3  14.076  -7.414   0.359
   12    HG3  GLU   3           2HG      GLU   3  15.919  -7.601  -2.071
   13    HE2  GLU   3           HE       GLU   3  18.658  -7.992  -0.040
   14    H    SER   4           H        SER   4  11.408  -6.269  -0.061
   15    HA   SER   4           HA       SER   4   9.374  -7.928  -0.444
   16    HB3  SER   4           2HB      SER   4  11.450  -9.256   1.298
   17    HG   SER   4           HG       SER   4   8.727 -10.123   1.411
   18    H    GLY   5           H        GLY   5  11.455  -6.096   1.706
   19    HA2  GLY   5           1HA      GLY   5   9.871  -5.837   3.979
   20    HA3  GLY   5           2HA      GLY   5  11.027  -4.662   3.381
   21    HA   PRO   6           HA       PRO   6   6.549  -3.563   2.217
   22    HB3  PRO   6           2HB      PRO   6   4.959  -4.883   3.234
   23    HG3  PRO   6           2HG      PRO   6   5.760  -6.212   4.940
   24    HD3  PRO   6           2HD      PRO   6   7.972  -6.367   4.333
   25    H    CYS   7           H        CYS   7   5.241  -1.552   2.690
   26    HA   CYS   7           HA       CYS   7   5.111   0.387   3.962
   27    HB3  CYS   7           2HB      CYS   7   7.148   1.380   4.993
   28    H    CYS   8           H        CYS   8   7.782  -0.626   1.791
   29    HA   CYS   8           HA       CYS   8   8.224   1.925   0.692
   30    HB3  CYS   8           2HB      CYS   8   9.565  -0.408   0.623
   31    H    ARG   9           H        ARG   9   7.491   2.743  -1.396
   32    HA   ARG   9           HA       ARG   9   4.909   1.638  -2.080
   33    HB3  ARG   9           2HB      ARG   9   5.367   4.161  -1.541
   34    HG3  ARG   9           2HG      ARG   9   6.002   5.509  -3.526
   35    HD3  ARG   9           2HD      ARG   9   8.432   4.813  -3.680
   36    HE   ARG   9           HE       ARG   9   7.392   4.758  -0.865
   37   HH11  ARG   9          2HH2      ARG   9   9.222   6.355  -3.446
   38   HH12  ARG   9          1HH2      ARG   9   9.785   7.635  -2.423
   39   HH22  ARG   9          1HH       ARG   9   9.133   7.669  -0.117
   40    H    ASN  10           H        ASN  10   8.024   1.107  -2.966
   41    HA   ASN  10           HA       ASN  10   7.349  -0.041  -5.389
   42    HB3  ASN  10           2HB      ASN  10   7.327   2.360  -6.174
   43   HD21  ASN  10          1HD2      ASN  10   8.039   4.314  -5.828
   44   HD22  ASN  10          2HD2      ASN  10   9.605   4.779  -5.251
   45    H    CYS  11           H        CYS  11   9.588   1.237  -2.989
   46    HA   CYS  11           HA       CYS  11  11.191  -1.015  -3.003
   47    HB3  CYS  11           2HB      CYS  11  13.297   0.542  -3.765
   48    H    LYS  12           H        LYS  12  10.505   2.388  -2.347
   49    HA   LYS  12           HA       LYS  12  11.984   2.125   0.177
   50    HB3  LYS  12           2HB      LYS  12  12.842   3.766  -1.719
   51    HG3  LYS  12           2HG      LYS  12  10.742   5.408  -0.224
   52    HD3  LYS  12           2HD      LYS  12  11.609   7.063  -2.142
   53    HE3  LYS  12           2HE      LYS  12  12.913   6.496   0.549
   54    HZ1  LYS  12           1HZ      LYS  12  14.604   7.755  -0.265
   55    HZ2  LYS  12           2HZ      LYS  12  13.763   8.318  -1.540
   56    H    PHE  13           H        PHE  13  10.888   2.701   2.047
   57    HA   PHE  13           HA       PHE  13   8.173   2.476   2.098
   58    HB3  PHE  13           2HB      PHE  13  10.283   3.839   3.844
   59    HD1  PHE  13           HD1      PHE  13   6.656   2.997   3.809
   60    HD2  PHE  13           HD2      PHE  13   9.806   5.058   5.768
   61    HE1  PHE  13           HE1      PHE  13   4.991   4.087   5.339
   62    HE2  PHE  13           HE2      PHE  13   8.143   6.148   7.298
   63    HZ   PHE  13           HZ       PHE  13   5.754   5.650   7.066
   64    H    LEU  14           H        LEU  14   6.389   3.876   2.104
   65    HA   LEU  14           HA       LEU  14   6.979   6.529   1.030
   66    HB3  LEU  14           2HB      LEU  14   4.344   5.059   1.120
   67    HG   LEU  14           HG       LEU  14   3.673   6.452  -0.726
   68   HD11  LEU  14          1HD1      LEU  14   3.701   7.254   1.828
   69   HD12  LEU  14          2HD1      LEU  14   4.682   8.557   1.115
   70   HD13  LEU  14          3HD1      LEU  14   3.039   8.245   0.506
   71   HD21  LEU  14          1HD2      LEU  14   6.504   7.049  -0.886
   72   HD22  LEU  14          2HD2      LEU  14   5.216   7.279  -2.093
   73   HD23  LEU  14          3HD2      LEU  14   5.529   8.538  -0.873
   74    H    LYS  15           H        LYS  15   4.258   5.267   3.061
   75    HA   LYS  15           HA       LYS  15   4.943   6.454   5.427
   76    HB3  LYS  15           2HB      LYS  15   3.889   8.402   3.452
   77    HG3  LYS  15           2HG      LYS  15   2.956   8.263   6.355
   78    HD3  LYS  15           2HD      LYS  15   2.613  10.552   4.364
   79    HE3  LYS  15           2HE      LYS  15   1.004   9.910   6.487
   80    HZ1  LYS  15           1HZ      LYS  15   1.691  11.124   8.377
   81    HZ2  LYS  15           2HZ      LYS  15   3.037  10.311   7.955
   82    H    GLU  16           H        GLU  16   3.878   4.850   6.491
   83    HA   GLU  16           HA       GLU  16   1.969   3.294   5.975
   84    HB3  GLU  16           2HB      GLU  16   0.896   3.928   8.345
   85    HG3  GLU  16           2HG      GLU  16   3.806   3.060   8.003
   86    HE2  GLU  16           HE       GLU  16   1.516   1.373  10.219
   87    H    GLY  17           H        GLY  17  -0.167   3.159   5.313
   88    HA2  GLY  17           1HA      GLY  17  -2.375   3.932   5.218
   89    HA3  GLY  17           2HA      GLY  17  -1.827   5.573   5.496
   90    H    THR  18           H        THR  18   0.093   3.678   3.257
   91    HA   THR  18           HA       THR  18  -0.618   5.452   1.117
   92    HB   THR  18           HB       THR  18   1.032   3.105   0.451
   93    HG1  THR  18           HG1      THR  18   1.715   4.886   2.682
   94   HG21  THR  18          1HG2      THR  18   2.109   4.768  -0.683
   95   HG22  THR  18          2HG2      THR  18   1.028   5.969   0.062
   96   HG23  THR  18          3HG2      THR  18   2.553   5.525   0.865
   97    H    ILE  19           H        ILE  19  -1.846   2.464   2.347
   98    HA   ILE  19           HA       ILE  19  -3.065   0.832   1.393
   99    HB   ILE  19           HB       ILE  19  -4.906   1.983   1.910
  100   HG13  ILE  19          2HG1      ILE  19  -6.139   1.265   0.201
  101   HG21  ILE  19          1HG2      ILE  19  -3.953   4.136   2.124
  102   HG22  ILE  19          2HG2      ILE  19  -3.744   4.305   0.365
  103   HG23  ILE  19          3HG2      ILE  19  -5.376   4.329   1.073
  104   HD11  ILE  19          1HD1      ILE  19  -5.394   3.722  -1.415
  105   HD12  ILE  19          2HD1      ILE  19  -6.957   2.875  -1.332
  106   HD13  ILE  19          3HD1      ILE  19  -6.406   3.863   0.043
  107    H    CYS  20           H        CYS  20  -3.212  -0.540  -0.363
  108    HA   CYS  20           HA       CYS  20  -1.500  -0.229  -2.443
  109    HB3  CYS  20           2HB      CYS  20  -3.839  -1.955  -1.890
  110    H    LYS  21           H        LYS  21  -4.991  -0.457  -3.272
  111    HA   LYS  21           HA       LYS  21  -4.853   2.152  -4.565
  112    HB3  LYS  21           2HB      LYS  21  -5.980   1.004  -6.596
  113    HG3  LYS  21           2HG      LYS  21  -3.070   1.037  -5.815
  114    HD3  LYS  21           2HD      LYS  21  -4.274  -0.591  -8.032
  115    HE3  LYS  21           2HE      LYS  21  -1.756  -0.128  -9.026
  116    HZ1  LYS  21           1HZ      LYS  21  -3.740  -0.077 -10.371
  117    HZ2  LYS  21           2HZ      LYS  21  -4.274   1.300  -9.686
  118    H    ARG  22           H        ARG  22  -6.287   2.976  -3.008
  119    HA   ARG  22           HA       ARG  22  -8.358   1.859  -1.851
  120    HB3  ARG  22           2HB      ARG  22  -7.817   4.620  -2.865
  121    HG3  ARG  22           2HG      ARG  22 -10.294   4.125  -3.422
  122    HD3  ARG  22           2HD      ARG  22 -10.952   2.773  -1.517
  123    HE   ARG  22           HE       ARG  22  -9.225   3.867   0.085
  124   HH11  ARG  22          2HH2      ARG  22 -12.672   4.688   0.105
  125   HH12  ARG  22          1HH2      ARG  22 -12.678   5.157   1.772
  126   HH22  ARG  22          1HH       ARG  22 -10.644   5.028   3.035
  127    H    ALA  23           H        ALA  23  -9.346   0.198  -3.183
  128    HA   ALA  23           HA       ALA  23 -10.494   0.829  -5.697
  129    HB1  ALA  23           1HB      ALA  23 -11.441  -1.450  -5.497
  130    HB2  ALA  23           2HB      ALA  23  -9.708  -1.423  -5.088
  131    HB3  ALA  23           3HB      ALA  23 -10.927  -1.509  -3.793
  132    H    ARG  24           H        ARG  24 -12.183  -0.360  -2.711
  133    HA   ARG  24           HA       ARG  24 -14.637   0.096  -3.166
  134    HB3  ARG  24           2HB      ARG  24 -13.282  -0.130  -0.855
  135    HG3  ARG  24           2HG      ARG  24 -14.310   2.748  -0.841
  136    HD3  ARG  24           2HD      ARG  24 -14.559   1.203   1.297
  137    HE   ARG  24           HE       ARG  24 -11.807   0.888   0.911
  138   HH11  ARG  24          2HH2      ARG  24 -13.854   2.164   3.507
  139   HH12  ARG  24          1HH2      ARG  24 -12.737   1.742   4.763
  140   HH22  ARG  24          1HH       ARG  24 -10.675   0.666   4.187
  141    H    GLY  25           H        GLY  25 -12.227   2.714  -2.989
  142    HA2  GLY  25           1HA      GLY  25 -14.301   4.609  -3.900
  143    HA3  GLY  25           2HA      GLY  25 -13.170   5.039  -2.632
  144    H    ASP  26           H        ASP  26 -11.278   6.020  -3.226
  145    HA   ASP  26           HA       ASP  26 -10.551   5.731  -6.034
  146    HB3  ASP  26           2HB      ASP  26  -9.200   7.958  -4.837
  147    HD2  ASP  26           HD       ASP  26 -10.332  10.140  -6.633
  148    H    ASP  27           H        ASP  27  -8.827   4.269  -6.133
  149    HA   ASP  27           HA       ASP  27  -7.343   3.285  -4.223
  150    HB3  ASP  27           2HB      ASP  27  -7.216   2.961  -6.809
  151    HD2  ASP  27           HD       ASP  27  -7.222   4.528  -8.100
  152    H    MET  28           H        MET  28  -5.306   3.800  -3.128
  153    HA   MET  28           HA       MET  28  -4.731   6.655  -3.183
  154    HB3  MET  28           2HB      MET  28  -3.678   6.121  -0.891
  155    HG3  MET  28           2HG      MET  28  -5.869   5.780   0.274
  156    HE1  MET  28           1HE      MET  28  -4.506   7.758   0.610
  157    HE2  MET  28           2HE      MET  28  -4.873   9.378  -0.027
  158    HE3  MET  28           3HE      MET  28  -6.028   8.565   1.055
  159    H    ASP  29           H        ASP  29  -2.520   4.414  -1.607
  160    HA   ASP  29           HA       ASP  29  -0.742   4.620  -3.901
  161    HB3  ASP  29           2HB      ASP  29   1.145   4.871  -2.169
  162    HD2  ASP  29           HD       ASP  29  -0.391   7.785  -3.853
  163    H    ASP  30           H        ASP  30   0.733   3.467  -1.003
  164    HA   ASP  30           HA       ASP  30  -0.314   0.852  -1.035
  165    HB3  ASP  30           2HB      ASP  30   0.989   0.389  -2.953
  166    HD2  ASP  30           HD       ASP  30   2.542   3.455  -2.267
  167    H    TYR  31           H        TYR  31  -0.113   0.306   1.143
  168    HA   TYR  31           HA       TYR  31   2.156   1.476   2.602
  169    HB3  TYR  31           2HB      TYR  31  -0.713   1.382   2.944
  170    HD1  TYR  31           HD1      TYR  31   1.256   0.799   5.999
  171    HD2  TYR  31           HD2      TYR  31  -1.641  -0.844   3.313
  172    HE1  TYR  31           HE1      TYR  31   0.687  -1.001   7.703
  173    HE2  TYR  31           HE2      TYR  31  -2.200  -2.639   5.026
  174    HH   TYR  31           HH       TYR  31  -2.070  -2.918   7.445
  175    H    CYS  32           H        CYS  32   3.424   0.166   3.959
  176    HA   CYS  32           HA       CYS  32   3.871  -2.404   3.164
  177    HB3  CYS  32           2HB      CYS  32   5.595  -1.447   4.348
  178    H    ASN  33           H        ASN  33   2.852  -4.361   3.552
  179    HA   ASN  33           HA       ASN  33   0.653  -4.255   5.451
  180    HB3  ASN  33           2HB      ASN  33  -0.036  -4.867   3.172
  181   HD21  ASN  33          1HD2      ASN  33  -0.128  -6.845   1.675
  182   HD22  ASN  33          2HD2      ASN  33   1.390  -7.471   1.126
  183    H    GLY  34           H        GLY  34   3.671  -4.739   5.923
  184    HA2  GLY  34           1HA      GLY  34   4.932  -6.034   7.259
  185    HA3  GLY  34           2HA      GLY  34   3.462  -6.802   7.824
  186    H    LYS  35           H        LYS  35   4.124  -6.799   4.352
  187    HA   LYS  35           HA       LYS  35   5.347  -9.427   4.488
  188    HB3  LYS  35           2HB      LYS  35   2.545  -9.108   4.101
  189    HG3  LYS  35           2HG      LYS  35   4.109  -9.975   1.628
  190    HD3  LYS  35           2HD      LYS  35   2.406 -11.682   2.041
  191    HE3  LYS  35           2HE      LYS  35   0.446  -9.350   2.300
  192    HZ1  LYS  35           1HZ      LYS  35   0.130 -12.259   2.077
  193    HZ2  LYS  35           2HZ      LYS  35  -0.902 -11.456   3.047
  194    H    THR  36           H        THR  36   3.982  -6.769   2.447
  195    HA   THR  36           HA       THR  36   6.484  -6.605   1.035
  196    HB   THR  36           HB       THR  36   3.915  -7.489  -0.386
  197    HG1  THR  36           HG1      THR  36   6.568  -8.614   0.178
  198   HG21  THR  36          1HG2      THR  36   6.725  -7.259  -1.547
  199   HG22  THR  36          2HG2      THR  36   5.190  -7.480  -2.420
  200   HG23  THR  36          3HG2      THR  36   5.567  -5.913  -1.665
  201    H    CYS  37           H        CYS  37   6.495  -4.749  -0.516
  202    HA   CYS  37           HA       CYS  37   4.604  -2.738   0.464
  203    HB3  CYS  37           2HB      CYS  37   7.230  -2.629   0.854
  204    H    ASP  38           H        ASP  38   3.200  -3.799  -1.308
  205    HA   ASP  38           HA       ASP  38   3.752  -2.381  -3.768
  206    HB3  ASP  38           2HB      ASP  38   4.556  -4.718  -4.099
  207    HD2  ASP  38           HD       ASP  38   1.706  -7.199  -4.179
  208    H    CYS  39           H        CYS  39   1.991  -1.147  -2.388
  209    HA   CYS  39           HA       CYS  39  -0.094  -0.451  -2.295
  210    HB3  CYS  39           2HB      CYS  39  -0.101  -1.576  -4.709
  211    HA   PRO  40           HA       PRO  40  -0.780  -4.261   0.358
  212    HB3  PRO  40           2HB      PRO  40   1.284  -4.997   1.066
  213    HG3  PRO  40           2HG      PRO  40   3.036  -3.587   0.556
  214    HD3  PRO  40           2HD      PRO  40   2.149  -2.470  -1.247
  215    H    ARG  41           H        ARG  41  -2.388  -2.199   0.080
  216    HA   ARG  41           HA       ARG  41  -3.459  -2.012   2.620
  217    HB3  ARG  41           2HB      ARG  41  -2.112   0.560   1.648
  218    HG3  ARG  41           2HG      ARG  41  -4.115  -0.074   3.795
  219    HD3  ARG  41           2HD      ARG  41  -1.870   1.975   4.138
  220    HE   ARG  41           HE       ARG  41  -3.911   2.874   5.122
  221   HH11  ARG  41          2HH2      ARG  41  -2.832  -0.178   6.563
  222   HH12  ARG  41          1HH2      ARG  41  -3.760   0.034   8.011
  223   HH22  ARG  41          1HH       ARG  41  -5.107   2.000   8.264
  224    H    ASN  42           H        ASN  42  -4.835  -2.833   0.595
  225    HA   ASN  42           HA       ASN  42  -6.329  -0.506  -0.309
  226    HB3  ASN  42           2HB      ASN  42  -5.209  -1.156  -2.315
  227   HD21  ASN  42          1HD2      ASN  42  -4.084  -2.817  -0.327
  228   HD22  ASN  42          2HD2      ASN  42  -3.749  -4.374  -1.009
  229    HA   PRO  43           HA       PRO  43  -8.778  -4.002   1.549
  230    HB3  PRO  43           2HB      PRO  43  -8.099  -4.024   3.749
  231    HG3  PRO  43           2HG      PRO  43  -6.743  -2.260   4.356
  232    HD3  PRO  43           2HD      PRO  43  -5.869  -1.693   2.306
  233    H    HIS  44           H        HIS  44  -9.384  -1.965  -0.337
  234    HA   HIS  44           HA       HIS  44 -11.903  -0.945   0.675
  235    HB3  HIS  44           2HB      HIS  44 -11.874   0.566  -1.100
  236    HD1  HIS  44           HD1      HIS  44  -8.999  -0.695   0.815
  237    HD2  HIS  44           HD2      HIS  44  -9.785   2.550  -1.726
  238    HE1  HIS  44           HE1      HIS  44  -7.135   1.000   1.220
  239    H    LYS  45           H        LYS  45 -12.542  -1.053  -2.485
  240    HA   LYS  45           HA       LYS  45 -14.577  -2.602  -2.658
  241    HB3  LYS  45           2HB      LYS  45 -13.747  -3.389  -4.960
  242    HG3  LYS  45           2HG      LYS  45 -13.570  -0.921  -5.746
  243    HD3  LYS  45           2HD      LYS  45 -15.988  -0.474  -4.629
  244    HE3  LYS  45           2HE      LYS  45 -15.022  -2.110  -6.897
  245    HZ1  LYS  45           1HZ      LYS  45 -17.844  -2.506  -6.134
  246    HZ2  LYS  45           2HZ      LYS  45 -16.964  -3.349  -7.215
  247    H    GLY  46           H        GLY  46 -11.607  -4.370  -3.688
  248    HA2  GLY  46           1HA      GLY  46 -12.312  -6.537  -1.824
  249    HA3  GLY  46           2HA      GLY  46 -12.196  -6.872  -3.541
  250    HA   PRO  47           HA       PRO  47  -7.777  -5.850  -3.029
  251    HB3  PRO  47           2HB      PRO  47  -7.384  -3.735  -3.851
  252    HG3  PRO  47           2HG      PRO  47  -9.138  -2.260  -3.593
  253    HD3  PRO  47           2HD      PRO  47 -10.895  -3.737  -3.452
  254    H    ALA  48           H        ALA  48  -5.859  -4.798  -1.353
  255    HA   ALA  48           HA       ALA  48  -5.757  -4.570   1.097
  256    HB1  ALA  48           1HB      ALA  48  -6.510  -6.659   2.339
  257    HB2  ALA  48           2HB      ALA  48  -7.819  -5.662   1.658
  258    HB3  ALA  48           3HB      ALA  48  -7.323  -7.162   0.837
  259    H    THR  49           H        THR  49  -3.559  -4.519   0.556
  260    HA   THR  49           HA       THR  49  -2.321  -7.180   0.279
  261    HB   THR  49           HB       THR  49  -1.760  -4.525  -1.119
  262    HG1  THR  49           HG1      THR  49  -3.276  -6.380  -1.826
  263   HG21  THR  49          1HG2      THR  49  -0.078  -6.936  -1.691
  264   HG22  THR  49          2HG2      THR  49   0.366  -5.213  -1.741
  265   HG23  THR  49          3HG2      THR  49   0.309  -6.072  -0.183
  Start of MODEL   17
    1    H2   GLU   1           1H       GLU   1   7.773  -2.791  -5.222
    2    HA   GLU   1           HA       GLU   1   8.081  -4.481  -2.878
    3    HB3  GLU   1           2HB      GLU   1   8.657  -6.351  -4.656
    4    HG3  GLU   1           2HG      GLU   1   5.746  -6.030  -4.782
    5    HE2  GLU   1           HE       GLU   1   7.031  -8.342  -2.085
    6    H    CYS   2           H        CYS   2  10.124  -4.166  -2.117
    7    HA   CYS   2           HA       CYS   2  12.160  -3.448  -4.091
    8    HB3  CYS   2           2HB      CYS   2  12.237  -2.989  -1.104
    9    H    GLU   3           H        GLU   3  11.885  -5.080  -0.839
   10    HA   GLU   3           HA       GLU   3  13.514  -7.218  -1.961
   11    HB3  GLU   3           2HB      GLU   3  15.012  -5.898  -0.580
   12    HG3  GLU   3           2HG      GLU   3  12.623  -5.733   1.164
   13    HE2  GLU   3           HE       GLU   3  16.160  -6.226   2.744
   14    H    SER   4           H        SER   4  10.595  -6.985  -1.708
   15    HA   SER   4           HA       SER   4   8.953  -8.327  -1.202
   16    HB3  SER   4           2HB      SER   4  11.131  -9.976   0.129
   17    HG   SER   4           HG       SER   4   8.284 -10.415   0.034
   18    H    GLY   5           H        GLY   5  10.694  -6.423   0.868
   19    HA2  GLY   5           1HA      GLY   5   9.147  -7.043   3.281
   20    HA3  GLY   5           2HA      GLY   5  10.537  -5.984   3.156
   21    HA   PRO   6           HA       PRO   6   6.455  -3.725   2.463
   22    HB3  PRO   6           2HB      PRO   6   4.774  -4.695   3.703
   23    HG3  PRO   6           2HG      PRO   6   5.487  -6.298   5.202
   24    HD3  PRO   6           2HD      PRO   6   7.462  -6.934   4.211
   25    H    CYS   7           H        CYS   7   5.758  -1.505   3.273
   26    HA   CYS   7           HA       CYS   7   6.284   0.463   4.142
   27    HB3  CYS   7           2HB      CYS   7   8.426   0.665   5.581
   28    H    CYS   8           H        CYS   8   6.879  -0.344   1.507
   29    HA   CYS   8           HA       CYS   8   8.982   1.490   0.903
   30    HB3  CYS   8           2HB      CYS   8   9.954  -0.952   1.348
   31    H    ARG   9           H        ARG   9   6.538   2.098   0.294
   32    HA   ARG   9           HA       ARG   9   4.870   1.204  -1.323
   33    HB3  ARG   9           2HB      ARG   9   4.533   3.477  -1.309
   34    HG3  ARG   9           2HG      ARG   9   7.561   3.608  -1.399
   35    HD3  ARG   9           2HD      ARG   9   5.578   5.866  -1.906
   36    HE   ARG   9           HE       ARG   9   7.736   6.095  -0.142
   37   HH11  ARG   9          2HH2      ARG   9   6.880   7.533  -3.266
   38   HH12  ARG   9          1HH2      ARG   9   7.737   9.007  -2.961
   39   HH22  ARG   9          1HH       ARG   9   8.898   9.282  -0.884
   40    H    ASN  10           H        ASN  10   8.047   2.335  -2.707
   41    HA   ASN  10           HA       ASN  10   7.702   0.297  -4.748
   42    HB3  ASN  10           2HB      ASN  10   7.099   2.624  -5.636
   43   HD21  ASN  10          1HD2      ASN  10   7.823   4.000  -3.767
   44   HD22  ASN  10          2HD2      ASN  10   9.212   5.010  -3.997
   45    H    CYS  11           H        CYS  11   9.370   1.207  -2.130
   46    HA   CYS  11           HA       CYS  11  11.362   0.077  -1.634
   47    HB3  CYS  11           2HB      CYS  11  12.361   1.004  -4.335
   48    H    LYS  12           H        LYS  12  10.720   2.049  -0.249
   49    HA   LYS  12           HA       LYS  12  12.853   3.658   0.227
   50    HB3  LYS  12           2HB      LYS  12  11.358   5.798  -0.805
   51    HG3  LYS  12           2HG      LYS  12  13.469   5.335  -2.591
   52    HD3  LYS  12           2HD      LYS  12  14.647   6.579  -0.370
   53    HE3  LYS  12           2HE      LYS  12  13.037   8.492  -1.829
   54    HZ1  LYS  12           1HZ      LYS  12  15.842   7.753  -1.554
   55    HZ2  LYS  12           2HZ      LYS  12  15.469   8.594  -2.897
   56    H    PHE  13           H        PHE  13   9.387   3.038   0.210
   57    HA   PHE  13           HA       PHE  13   8.011   2.998   1.971
   58    HB3  PHE  13           2HB      PHE  13   9.905   4.813   3.534
   59    HD1  PHE  13           HD1      PHE  13   6.831   3.722   3.588
   60    HD2  PHE  13           HD2      PHE  13  10.396   2.956   5.759
   61    HE1  PHE  13           HE1      PHE  13   5.470   3.013   5.574
   62    HE2  PHE  13           HE2      PHE  13   9.035   2.246   7.744
   63    HZ   PHE  13           HZ       PHE  13   6.588   2.283   7.629
   64    H    LEU  14           H        LEU  14   6.192   4.225   1.844
   65    HA   LEU  14           HA       LEU  14   6.489   6.987   1.053
   66    HB3  LEU  14           2HB      LEU  14   4.018   5.289   1.431
   67    HG   LEU  14           HG       LEU  14   2.991   6.830  -0.218
   68   HD11  LEU  14          1HD1      LEU  14   3.561   8.760   1.889
   69   HD12  LEU  14          2HD1      LEU  14   2.043   7.930   1.470
   70   HD13  LEU  14          3HD1      LEU  14   3.231   7.133   2.529
   71   HD21  LEU  14          1HD2      LEU  14   3.974   9.040  -0.615
   72   HD22  LEU  14          2HD2      LEU  14   5.426   8.559   0.297
   73   HD23  LEU  14          3HD2      LEU  14   5.018   7.733  -1.226
   74    H    LYS  15           H        LYS  15   4.388   5.332   3.515
   75    HA   LYS  15           HA       LYS  15   5.353   6.546   5.744
   76    HB3  LYS  15           2HB      LYS  15   3.659   8.401   4.139
   77    HG3  LYS  15           2HG      LYS  15   3.729   8.675   7.150
   78    HD3  LYS  15           2HD      LYS  15   2.558  10.064   4.872
   79    HE3  LYS  15           2HE      LYS  15   0.619   9.265   7.095
   80    HZ1  LYS  15           1HZ      LYS  15   0.293  11.496   6.139
   81    HZ2  LYS  15           2HZ      LYS  15   0.227  10.881   4.632
   82    H    GLU  16           H        GLU  16   4.690   4.824   6.935
   83    HA   GLU  16           HA       GLU  16   2.839   3.091   6.657
   84    HB3  GLU  16           2HB      GLU  16   2.338   3.766   9.337
   85    HG3  GLU  16           2HG      GLU  16   4.892   2.356   8.573
   86    HE2  GLU  16           HE       GLU  16   1.750   1.796  10.433
   87    H    GLY  17           H        GLY  17   1.055   3.751   5.344
   88    HA2  GLY  17           1HA      GLY  17  -1.335   4.260   6.560
   89    HA3  GLY  17           2HA      GLY  17  -0.703   5.853   6.195
   90    H    THR  18           H        THR  18   0.859   4.636   3.808
   91    HA   THR  18           HA       THR  18  -0.713   5.400   1.760
   92    HB   THR  18           HB       THR  18   0.737   3.211   0.750
   93    HG1  THR  18           HG1      THR  18   2.685   4.084   2.388
   94   HG21  THR  18          1HG2      THR  18   0.880   5.958   0.513
   95   HG22  THR  18          2HG2      THR  18   2.352   5.625   1.456
   96   HG23  THR  18          3HG2      THR  18   2.116   4.849  -0.129
   97    H    ILE  19           H        ILE  19  -1.159   3.396  -0.095
   98    HA   ILE  19           HA       ILE  19  -2.646   1.254   0.938
   99    HB   ILE  19           HB       ILE  19  -4.440   2.388   1.627
  100   HG13  ILE  19          2HG1      ILE  19  -5.923   1.607   0.169
  101   HG21  ILE  19          1HG2      ILE  19  -5.080   4.669   0.541
  102   HG22  ILE  19          2HG2      ILE  19  -3.699   4.576   1.660
  103   HG23  ILE  19          3HG2      ILE  19  -3.420   4.625  -0.097
  104   HD11  ILE  19          1HD1      ILE  19  -5.188   4.086  -1.453
  105   HD12  ILE  19          2HD1      ILE  19  -6.578   3.031  -1.804
  106   HD13  ILE  19          3HD1      ILE  19  -6.515   3.940  -0.275
  107    H    CYS  20           H        CYS  20  -2.504  -0.260  -0.626
  108    HA   CYS  20           HA       CYS  20  -1.271  -0.010  -2.948
  109    HB3  CYS  20           2HB      CYS  20  -3.508  -1.794  -2.088
  110    H    LYS  21           H        LYS  21  -4.825  -0.486  -3.276
  111    HA   LYS  21           HA       LYS  21  -4.989   1.989  -4.816
  112    HB3  LYS  21           2HB      LYS  21  -4.970  -0.680  -5.938
  113    HG3  LYS  21           2HG      LYS  21  -7.467   1.031  -6.331
  114    HD3  LYS  21           2HD      LYS  21  -7.746  -1.236  -7.910
  115    HE3  LYS  21           2HE      LYS  21  -7.117   0.431  -9.831
  116    HZ1  LYS  21           1HZ      LYS  21  -9.132   1.817  -9.171
  117    HZ2  LYS  21           2HZ      LYS  21  -9.391   0.213  -9.267
  118    H    ARG  22           H        ARG  22  -6.798   3.140  -4.327
  119    HA   ARG  22           HA       ARG  22  -8.430   2.177  -2.278
  120    HB3  ARG  22           2HB      ARG  22  -8.836   4.557  -4.161
  121    HG3  ARG  22           2HG      ARG  22 -10.917   4.257  -3.037
  122    HD3  ARG  22           2HD      ARG  22 -10.072   2.461  -1.456
  123    HE   ARG  22           HE       ARG  22  -8.186   3.527  -0.355
  124   HH11  ARG  22          2HH2      ARG  22 -11.329   4.843   0.614
  125   HH12  ARG  22          1HH2      ARG  22 -10.717   5.571   2.062
  126   HH22  ARG  22          1HH       ARG  22  -8.391   5.349   2.594
  127    H    ALA  23           H        ALA  23  -8.906   0.091  -3.697
  128    HA   ALA  23           HA       ALA  23 -10.398  -0.044  -5.905
  129    HB1  ALA  23           1HB      ALA  23  -9.568  -1.906  -4.365
  130    HB2  ALA  23           2HB      ALA  23 -11.051  -1.653  -3.413
  131    HB3  ALA  23           3HB      ALA  23 -11.161  -2.167  -5.114
  132    H    ARG  24           H        ARG  24 -12.020  -0.101  -2.652
  133    HA   ARG  24           HA       ARG  24 -14.509   0.233  -3.362
  134    HB3  ARG  24           2HB      ARG  24 -13.515   0.244  -0.995
  135    HG3  ARG  24           2HG      ARG  24 -13.558   3.269  -1.404
  136    HD3  ARG  24           2HD      ARG  24 -13.782   1.770   0.931
  137    HE   ARG  24           HE       ARG  24 -10.958   1.865   0.264
  138   HH11  ARG  24          2HH2      ARG  24 -13.218   2.132   2.981
  139   HH12  ARG  24          1HH2      ARG  24 -12.048   1.643   4.162
  140   HH22  ARG  24          1HH       ARG  24  -9.820   1.112   3.458
  141    H    GLY  25           H        GLY  25 -11.944   2.560  -3.911
  142    HA2  GLY  25           1HA      GLY  25 -13.891   4.392  -5.142
  143    HA3  GLY  25           2HA      GLY  25 -12.734   5.016  -3.983
  144    H    ASP  26           H        ASP  26 -10.503   5.188  -4.526
  145    HA   ASP  26           HA       ASP  26  -9.726   4.188  -7.108
  146    HB3  ASP  26           2HB      ASP  26  -8.649   6.771  -7.144
  147    HD2  ASP  26           HD       ASP  26  -8.924   5.705  -9.716
  148    H    ASP  27           H        ASP  27  -7.808   3.136  -6.567
  149    HA   ASP  27           HA       ASP  27  -6.447   2.952  -4.455
  150    HB3  ASP  27           2HB      ASP  27  -5.785   2.450  -7.004
  151    HD2  ASP  27           HD       ASP  27  -2.717   3.729  -6.085
  152    H    MET  28           H        MET  28  -4.997   4.129  -3.064
  153    HA   MET  28           HA       MET  28  -4.903   6.981  -3.647
  154    HB3  MET  28           2HB      MET  28  -4.686   7.267  -1.206
  155    HG3  MET  28           2HG      MET  28  -6.714   5.900  -0.394
  156    HE1  MET  28           1HE      MET  28  -8.732   8.034  -0.214
  157    HE2  MET  28           2HE      MET  28  -7.008   8.015   0.227
  158    HE3  MET  28           3HE      MET  28  -7.679   9.390  -0.684
  159    H    ASP  29           H        ASP  29  -2.917   4.463  -1.913
  160    HA   ASP  29           HA       ASP  29  -0.624   5.444  -3.360
  161    HB3  ASP  29           2HB      ASP  29   0.731   5.689  -1.324
  162    HD2  ASP  29           HD       ASP  29   0.872   7.618  -1.752
  163    H    ASP  30           H        ASP  30   0.702   3.876  -0.795
  164    HA   ASP  30           HA       ASP  30  -0.216   1.259  -1.076
  165    HB3  ASP  30           2HB      ASP  30   0.815   1.007  -3.170
  166    HD2  ASP  30           HD       ASP  30   2.785   4.184  -3.162
  167    H    TYR  31           H        TYR  31   0.064   0.985   1.169
  168    HA   TYR  31           HA       TYR  31   2.627   1.805   2.321
  169    HB3  TYR  31           2HB      TYR  31  -0.157   1.911   3.026
  170    HD1  TYR  31           HD2      TYR  31  -0.955  -0.511   3.133
  171    HD2  TYR  31           HD1      TYR  31   1.771   1.156   5.978
  172    HE1  TYR  31           HE2      TYR  31  -1.498  -2.387   4.761
  173    HE2  TYR  31           HE1      TYR  31   1.219  -0.724   7.597
  174    HH   TYR  31           HH       TYR  31  -1.428  -2.837   7.071
  175    H    CYS  32           H        CYS  32   3.580   0.327   4.013
  176    HA   CYS  32           HA       CYS  32   4.169  -2.121   2.927
  177    HB3  CYS  32           2HB      CYS  32   5.743  -1.781   4.451
  178    H    ASN  33           H        ASN  33   3.754  -3.774   5.444
  179    HA   ASN  33           HA       ASN  33   1.355  -4.051   6.411
  180    HB3  ASN  33           2HB      ASN  33   0.532  -3.922   3.950
  181   HD21  ASN  33          1HD2      ASN  33  -0.578  -6.395   3.050
  182   HD22  ASN  33          2HD2      ASN  33   0.639  -7.258   2.171
  183    H    GLY  34           H        GLY  34   4.087  -4.864   6.783
  184    HA2  GLY  34           1HA      GLY  34   5.474  -6.690   6.980
  185    HA3  GLY  34           2HA      GLY  34   4.149  -7.155   8.030
  186    H    LYS  35           H        LYS  35   4.999  -7.178   4.491
  187    HA   LYS  35           HA       LYS  35   4.880  -9.916   4.215
  188    HB3  LYS  35           2HB      LYS  35   2.465  -9.378   2.818
  189    HG3  LYS  35           2HG      LYS  35   2.910 -10.923   5.414
  190    HD3  LYS  35           2HD      LYS  35   0.803 -10.914   3.243
  191    HE3  LYS  35           2HE      LYS  35   1.948 -13.254   3.470
  192    HZ1  LYS  35           1HZ      LYS  35   0.308 -13.439   5.912
  193    HZ2  LYS  35           2HZ      LYS  35   1.500 -14.433   5.417
  194    H    THR  36           H        THR  36   4.355  -6.651   2.889
  195    HA   THR  36           HA       THR  36   6.315  -6.943   0.939
  196    HB   THR  36           HB       THR  36   4.677  -8.554  -0.074
  197    HG1  THR  36           HG1      THR  36   4.681  -5.970  -1.444
  198   HG21  THR  36          1HG2      THR  36   2.802  -6.385   0.558
  199   HG22  THR  36          2HG2      THR  36   2.794  -6.744  -1.186
  200   HG23  THR  36          3HG2      THR  36   2.450  -8.035  -0.011
  201    H    CYS  37           H        CYS  37   6.325  -5.051  -0.616
  202    HA   CYS  37           HA       CYS  37   4.855  -2.825   0.592
  203    HB3  CYS  37           2HB      CYS  37   7.111  -2.674   1.390
  204    H    ASP  38           H        ASP  38   3.498  -3.874  -1.367
  205    HA   ASP  38           HA       ASP  38   4.220  -2.267  -3.674
  206    HB3  ASP  38           2HB      ASP  38   2.876  -4.885  -4.213
  207    HD2  ASP  38           HD       ASP  38   3.984  -4.581  -7.378
  208    H    CYS  39           H        CYS  39   2.493  -0.990  -2.304
  209    HA   CYS  39           HA       CYS  39   0.461  -0.144  -2.271
  210    HB3  CYS  39           2HB      CYS  39   0.436  -1.044  -4.716
  211    HA   PRO  40           HA       PRO  40  -0.578  -3.986   0.220
  212    HB3  PRO  40           2HB      PRO  40   1.404  -4.896   0.958
  213    HG3  PRO  40           2HG      PRO  40   3.269  -3.602   0.552
  214    HD3  PRO  40           2HD      PRO  40   2.523  -2.360  -1.233
  215    H    ARG  41           H        ARG  41  -2.041  -1.826  -0.023
  216    HA   ARG  41           HA       ARG  41  -3.091  -1.617   2.548
  217    HB3  ARG  41           2HB      ARG  41  -1.628   0.852   1.485
  218    HG3  ARG  41           2HG      ARG  41  -3.945   0.607   3.238
  219    HD3  ARG  41           2HD      ARG  41  -2.631   2.397   4.843
  220    HE   ARG  41           HE       ARG  41  -2.411  -0.394   5.730
  221   HH11  ARG  41          2HH2      ARG  41  -4.622   2.323   5.202
  222   HH12  ARG  41          1HH2      ARG  41  -5.816   1.727   6.306
  223   HH22  ARG  41          1HH       ARG  41  -5.422  -0.335   7.461
  224    H    ASN  42           H        ASN  42  -4.780  -2.383   0.955
  225    HA   ASN  42           HA       ASN  42  -6.217  -0.092  -0.012
  226    HB3  ASN  42           2HB      ASN  42  -5.181  -0.563  -2.093
  227   HD21  ASN  42          1HD2      ASN  42  -4.141  -2.426  -0.021
  228   HD22  ASN  42          2HD2      ASN  42  -3.597  -3.839  -0.861
  229    HA   PRO  43           HA       PRO  43  -8.551  -3.677   1.760
  230    HB3  PRO  43           2HB      PRO  43  -7.974  -3.569   3.986
  231    HG3  PRO  43           2HG      PRO  43  -6.771  -1.693   4.580
  232    HD3  PRO  43           2HD      PRO  43  -5.845  -1.143   2.550
  233    H    HIS  44           H        HIS  44  -9.306  -2.097  -0.320
  234    HA   HIS  44           HA       HIS  44 -11.921  -1.142   0.569
  235    HB3  HIS  44           2HB      HIS  44 -11.781   0.510  -0.946
  236    HD1  HIS  44           HD1      HIS  44  -9.346  -0.073   1.132
  237    HD2  HIS  44           HD2      HIS  44  -9.041   1.240  -2.840
  238    HE1  HIS  44           HE1      HIS  44  -7.093   1.109   0.942
  239    H    LYS  45           H        LYS  45 -12.729  -1.265  -2.404
  240    HA   LYS  45           HA       LYS  45 -14.447  -3.087  -2.657
  241    HB3  LYS  45           2HB      LYS  45 -13.714  -3.619  -4.987
  242    HG3  LYS  45           2HG      LYS  45 -13.280  -0.991  -5.490
  243    HD3  LYS  45           2HD      LYS  45 -15.456  -2.636  -5.595
  244    HE3  LYS  45           2HE      LYS  45 -16.749  -0.453  -4.084
  245    HZ1  LYS  45           1HZ      LYS  45 -16.938  -3.400  -4.222
  246    HZ2  LYS  45           2HZ      LYS  45 -17.777  -2.568  -3.100
  247    H    GLY  46           H        GLY  46 -11.279  -4.413  -3.760
  248    HA2  GLY  46           1HA      GLY  46 -11.520  -6.626  -1.870
  249    HA3  GLY  46           2HA      GLY  46 -11.670  -7.016  -3.572
  250    HA   PRO  47           HA       PRO  47  -7.338  -5.392  -3.640
  251    HB3  PRO  47           2HB      PRO  47  -7.257  -3.109  -3.923
  252    HG3  PRO  47           2HG      PRO  47  -9.048  -1.963  -3.029
  253    HD3  PRO  47           2HD      PRO  47 -10.636  -3.627  -3.025
  254    H    ALA  48           H        ALA  48  -5.383  -4.306  -1.822
  255    HA   ALA  48           HA       ALA  48  -4.772  -4.748   0.430
  256    HB1  ALA  48           1HB      ALA  48  -5.334  -6.891   1.470
  257    HB2  ALA  48           2HB      ALA  48  -6.815  -6.102   0.875
  258    HB3  ALA  48           3HB      ALA  48  -6.096  -7.450  -0.039
  259    H    THR  49           H        THR  49  -2.594  -4.985   0.427
  260    HA   THR  49           HA       THR  49  -1.447  -7.258  -0.987
  261    HB   THR  49           HB       THR  49  -1.177  -4.342  -1.746
  262    HG1  THR  49           HG1      THR  49  -2.298  -6.390  -2.788
  263   HG21  THR  49          1HG2      THR  49   1.069  -6.277  -1.463
  264   HG22  THR  49          2HG2      THR  49   0.886  -5.616  -3.106
  265   HG23  THR  49          3HG2      THR  49   1.123  -4.518  -1.725
  Start of MODEL   18
    1    H2   GLU   1           1H       GLU   1   8.297  -2.642  -4.718
    2    HA   GLU   1           HA       GLU   1   8.195  -3.789  -2.042
    3    HB3  GLU   1           2HB      GLU   1   6.838  -5.041  -3.615
    4    HG3  GLU   1           2HG      GLU   1   9.093  -4.465  -5.427
    5    HE2  GLU   1           HE       GLU   1  10.108  -7.715  -5.076
    6    H    CYS   2           H        CYS   2  10.240  -2.628  -1.526
    7    HA   CYS   2           HA       CYS   2  12.550  -2.642  -2.837
    8    HB3  CYS   2           2HB      CYS   2  12.720  -3.441   0.030
    9    H    GLU   3           H        GLU   3  11.188  -5.371  -0.875
   10    HA   GLU   3           HA       GLU   3  12.157  -7.311  -2.558
   11    HB3  GLU   3           2HB      GLU   3  13.834  -8.069  -0.432
   12    HG3  GLU   3           2HG      GLU   3  15.578  -7.006  -2.273
   13    HE2  GLU   3           HE       GLU   3  14.459  -9.604  -4.278
   14    H    SER   4           H        SER   4   9.714  -6.877  -1.412
   15    HA   SER   4           HA       SER   4   8.212  -8.357  -0.631
   16    HB3  SER   4           2HB      SER   4  10.184  -9.503   1.368
   17    HG   SER   4           HG       SER   4   8.734 -11.431   0.454
   18    H    GLY   5           H        GLY   5  10.581  -7.612   2.041
   19    HA2  GLY   5           1HA      GLY   5   8.985  -7.064   4.105
   20    HA3  GLY   5           2HA      GLY   5  10.408  -6.108   3.738
   21    HA   PRO   6           HA       PRO   6   6.365  -3.847   2.685
   22    HB3  PRO   6           2HB      PRO   6   4.492  -4.847   3.576
   23    HG3  PRO   6           2HG      PRO   6   4.928  -6.503   5.121
   24    HD3  PRO   6           2HD      PRO   6   7.046  -7.119   4.473
   25    H    CYS   7           H        CYS   7   5.531  -1.653   3.442
   26    HA   CYS   7           HA       CYS   7   5.909   0.292   4.421
   27    HB3  CYS   7           2HB      CYS   7   7.859   0.319   6.235
   28    H    CYS   8           H        CYS   8   6.772   0.210   1.998
   29    HA   CYS   8           HA       CYS   8   9.337   1.502   2.070
   30    HB3  CYS   8           2HB      CYS   8  10.618  -0.014   1.071
   31    H    ARG   9           H        ARG   9   6.518   0.169   0.258
   32    HA   ARG   9           HA       ARG   9   5.185   1.103  -1.177
   33    HB3  ARG   9           2HB      ARG   9   6.765   3.524  -0.368
   34    HG3  ARG   9           2HG      ARG   9   4.968   4.599  -2.180
   35    HD3  ARG   9           2HD      ARG   9   6.959   5.153  -3.548
   36    HE   ARG   9           HE       ARG   9   7.251   5.275  -0.585
   37   HH11  ARG   9          2HH2      ARG   9   8.113   6.580  -3.764
   38   HH12  ARG   9          1HH2      ARG   9   8.768   8.049  -3.121
   39   HH22  ARG   9          1HH       ARG   9   8.759   8.399  -0.751
   40    H    ASN  10           H        ASN  10   8.638   2.091  -1.687
   41    HA   ASN  10           HA       ASN  10   8.619   0.714  -4.181
   42    HB3  ASN  10           2HB      ASN  10   7.805   3.241  -4.498
   43   HD21  ASN  10          1HD2      ASN  10   9.617   3.465  -2.315
   44   HD22  ASN  10          2HD2      ASN  10  10.754   4.726  -2.661
   45    H    CYS  11           H        CYS  11   9.937   0.844  -1.412
   46    HA   CYS  11           HA       CYS  11  11.975   0.196  -0.755
   47    HB3  CYS  11           2HB      CYS  11  13.350   1.327  -3.169
   48    H    LYS  12           H        LYS  12  11.038   2.157   0.548
   49    HA   LYS  12           HA       LYS  12  13.004   3.814   1.341
   50    HB3  LYS  12           2HB      LYS  12  11.681   5.908  -0.023
   51    HG3  LYS  12           2HG      LYS  12  14.366   4.809  -0.874
   52    HD3  LYS  12           2HD      LYS  12  13.180   7.112  -1.529
   53    HE3  LYS  12           2HE      LYS  12  14.515   7.729   1.152
   54    HZ1  LYS  12           1HZ      LYS  12  13.850   9.358  -1.137
   55    HZ2  LYS  12           2HZ      LYS  12  13.241   9.940   0.256
   56    H    PHE  13           H        PHE  13   9.627   3.095   0.754
   57    HA   PHE  13           HA       PHE  13   7.953   3.097   2.229
   58    HB3  PHE  13           2HB      PHE  13   9.461   5.008   4.059
   59    HD1  PHE  13           HD1      PHE  13   6.482   3.940   3.666
   60    HD2  PHE  13           HD2      PHE  13   9.681   2.984   6.286
   61    HE1  PHE  13           HE1      PHE  13   4.835   3.157   5.392
   62    HE2  PHE  13           HE2      PHE  13   8.035   2.202   8.011
   63    HZ   PHE  13           HZ       PHE  13   5.632   2.297   7.544
   64    H    LEU  14           H        LEU  14   6.169   4.278   1.730
   65    HA   LEU  14           HA       LEU  14   6.557   7.025   0.922
   66    HB3  LEU  14           2HB      LEU  14   3.970   5.490   0.947
   67    HG   LEU  14           HG       LEU  14   3.362   6.760  -0.966
   68   HD11  LEU  14          1HD1      LEU  14   4.607   8.807   0.872
   69   HD12  LEU  14          2HD1      LEU  14   3.101   8.924  -0.070
   70   HD13  LEU  14          3HD1      LEU  14   3.190   7.832   1.334
   71   HD21  LEU  14          1HD2      LEU  14   5.607   6.762  -2.031
   72   HD22  LEU  14          2HD2      LEU  14   4.779   8.336  -2.106
   73   HD23  LEU  14          3HD2      LEU  14   6.090   8.076  -0.931
   74    H    LYS  15           H        LYS  15   4.315   5.251   3.175
   75    HA   LYS  15           HA       LYS  15   4.747   6.556   5.443
   76    HB3  LYS  15           2HB      LYS  15   3.547   8.439   3.520
   77    HG3  LYS  15           2HG      LYS  15   2.216   7.750   6.116
   78    HD3  LYS  15           2HD      LYS  15   2.712  10.613   5.176
   79    HE3  LYS  15           2HE      LYS  15   1.278  10.601   7.612
   80    HZ1  LYS  15           1HZ      LYS  15  -0.159  11.913   6.388
   81    HZ2  LYS  15           2HZ      LYS  15   1.143  12.000   5.414
   82    H    GLU  16           H        GLU  16   3.844   4.905   6.563
   83    HA   GLU  16           HA       GLU  16   2.123   3.128   6.032
   84    HB3  GLU  16           2HB      GLU  16   1.098   3.381   8.379
   85    HG3  GLU  16           2HG      GLU  16   4.098   3.452   7.870
   86    HE2  GLU  16           HE       GLU  16   2.986   1.992  11.245
   87    H    GLY  17           H        GLY  17   0.748   3.738   4.237
   88    HA2  GLY  17           1HA      GLY  17  -1.850   3.989   4.542
   89    HA3  GLY  17           2HA      GLY  17  -1.385   5.660   4.800
   90    H    THR  18           H        THR  18  -0.475   2.967   2.518
   91    HA   THR  18           HA       THR  18  -1.055   4.802   0.305
   92    HB   THR  18           HB       THR  18   1.267   3.160  -0.285
   93    HG1  THR  18           HG1      THR  18   1.317   4.939   2.051
   94   HG21  THR  18          1HG2      THR  18   1.687   5.126  -1.374
   95   HG22  THR  18          2HG2      THR  18   0.410   5.952  -0.450
   96   HG23  THR  18          3HG2      THR  18   2.061   5.854   0.206
   97    H    ILE  19           H        ILE  19  -3.052   3.296   0.779
   98    HA   ILE  19           HA       ILE  19  -3.178   0.674   0.352
   99    HB   ILE  19           HB       ILE  19  -5.213   1.584   0.696
  100   HG13  ILE  19          2HG1      ILE  19  -6.416   0.574  -0.880
  101   HG21  ILE  19          1HG2      ILE  19  -4.388   3.778  -1.202
  102   HG22  ILE  19          2HG2      ILE  19  -6.070   3.588  -0.653
  103   HG23  ILE  19          3HG2      ILE  19  -4.774   3.879   0.533
  104   HD11  ILE  19          1HD1      ILE  19  -5.510   1.857  -3.353
  105   HD12  ILE  19          2HD1      ILE  19  -7.139   1.811  -2.637
  106   HD13  ILE  19          3HD1      ILE  19  -5.977   3.059  -2.127
  107    H    CYS  20           H        CYS  20  -3.376  -0.782  -1.461
  108    HA   CYS  20           HA       CYS  20  -1.449  -0.300  -3.423
  109    HB3  CYS  20           2HB      CYS  20  -3.424  -2.433  -2.824
  110    H    LYS  21           H        LYS  21  -4.968  -1.033  -3.983
  111    HA   LYS  21           HA       LYS  21  -4.962   1.114  -5.987
  112    HB3  LYS  21           2HB      LYS  21  -6.553  -0.373  -7.288
  113    HG3  LYS  21           2HG      LYS  21  -4.278  -2.065  -7.506
  114    HD3  LYS  21           2HD      LYS  21  -4.412   0.572  -8.964
  115    HE3  LYS  21           2HE      LYS  21  -4.427  -1.593 -10.750
  116    HZ1  LYS  21           1HZ      LYS  21  -2.449  -0.656 -11.338
  117    HZ2  LYS  21           2HZ      LYS  21  -2.874   0.531 -10.309
  118    H    ARG  22           H        ARG  22  -7.138   2.052  -6.396
  119    HA   ARG  22           HA       ARG  22  -8.461   2.316  -3.883
  120    HB3  ARG  22           2HB      ARG  22  -8.818   3.656  -6.603
  121    HG3  ARG  22           2HG      ARG  22 -10.914   4.231  -5.925
  122    HD3  ARG  22           2HD      ARG  22 -10.802   2.304  -4.243
  123    HE   ARG  22           HE       ARG  22  -9.063   3.502  -2.752
  124   HH11  ARG  22          2HH2      ARG  22 -12.551   3.759  -2.183
  125   HH12  ARG  22          1HH2      ARG  22 -12.377   4.067  -0.487
  126   HH22  ARG  22          1HH       ARG  22 -10.182   4.149   0.472
  127    H    ALA  23           H        ALA  23  -9.708   0.454  -3.462
  128    HA   ALA  23           HA       ALA  23 -11.385  -0.586  -5.587
  129    HB1  ALA  23           1HB      ALA  23 -10.103  -1.587  -3.205
  130    HB2  ALA  23           2HB      ALA  23 -11.854  -1.890  -3.098
  131    HB3  ALA  23           3HB      ALA  23 -10.930  -2.494  -4.495
  132    H    ARG  24           H        ARG  24 -11.818   0.530  -2.148
  133    HA   ARG  24           HA       ARG  24 -14.504   0.568  -2.131
  134    HB3  ARG  24           2HB      ARG  24 -13.886   2.840  -0.643
  135    HG3  ARG  24           2HG      ARG  24 -13.456  -0.086   0.127
  136    HD3  ARG  24           2HD      ARG  24 -13.959   0.740   2.445
  137    HE   ARG  24           HE       ARG  24 -11.512   1.584   1.012
  138   HH11  ARG  24          2HH2      ARG  24 -13.105   1.114   4.141
  139   HH12  ARG  24          1HH2      ARG  24 -11.620   1.075   5.032
  140   HH22  ARG  24          1HH       ARG  24  -9.543   1.324   3.863
  141    H    GLY  25           H        GLY  25 -12.407   3.487  -2.767
  142    HA2  GLY  25           1HA      GLY  25 -13.980   4.338  -4.986
  143    HA3  GLY  25           2HA      GLY  25 -14.389   5.239  -3.540
  144    H    ASP  26           H        ASP  26 -11.909   5.389  -2.194
  145    HA   ASP  26           HA       ASP  26 -10.329   6.847  -4.165
  146    HB3  ASP  26           2HB      ASP  26 -10.329   7.503  -1.206
  147    HD2  ASP  26           HD       ASP  26 -10.764   9.956  -1.394
  148    H    ASP  27           H        ASP  27  -8.270   5.954  -4.385
  149    HA   ASP  27           HA       ASP  27  -7.420   4.129  -2.313
  150    HB3  ASP  27           2HB      ASP  27  -7.200   4.228  -5.171
  151    HD2  ASP  27           HD       ASP  27  -5.279   6.050  -5.316
  152    H    MET  28           H        MET  28  -4.652   4.203  -2.491
  153    HA   MET  28           HA       MET  28  -4.020   7.007  -1.979
  154    HB3  MET  28           2HB      MET  28  -2.375   6.064  -0.249
  155    HG3  MET  28           2HG      MET  28  -4.290   5.199   1.334
  156    HE1  MET  28           1HE      MET  28  -6.680   7.999   1.190
  157    HE2  MET  28           2HE      MET  28  -6.135   6.680   2.253
  158    HE3  MET  28           3HE      MET  28  -5.765   8.370   2.671
  159    H    ASP  29           H        ASP  29  -2.160   3.889  -2.194
  160    HA   ASP  29           HA       ASP  29  -1.080   4.478  -4.682
  161    HB3  ASP  29           2HB      ASP  29   1.349   4.602  -3.283
  162    HD2  ASP  29           HD       ASP  29   1.991   7.315  -3.350
  163    H    ASP  30           H        ASP  30   1.079   3.454  -2.024
  164    HA   ASP  30           HA       ASP  30   0.267   0.777  -1.986
  165    HB3  ASP  30           2HB      ASP  30   1.287   0.169  -3.954
  166    HD2  ASP  30           HD       ASP  30   1.227   1.584  -5.511
  167    H    TYR  31           H        TYR  31   0.645   0.671   0.251
  168    HA   TYR  31           HA       TYR  31   3.283   1.583   1.183
  169    HB3  TYR  31           2HB      TYR  31   0.643   2.298   1.892
  170    HD1  TYR  31           HD2      TYR  31  -0.488  -0.063   2.173
  171    HD2  TYR  31           HD1      TYR  31   2.160   1.693   5.039
  172    HE1  TYR  31           HE2      TYR  31  -1.438  -1.570   3.987
  173    HE2  TYR  31           HE1      TYR  31   1.201   0.179   6.842
  174    HH   TYR  31           HH       TYR  31   0.078  -1.986   6.962
  175    H    CYS  32           H        CYS  32   3.463   0.411   3.628
  176    HA   CYS  32           HA       CYS  32   4.184  -2.197   2.983
  177    HB3  CYS  32           2HB      CYS  32   5.413  -1.573   4.746
  178    H    ASN  33           H        ASN  33   3.119  -3.525   5.451
  179    HA   ASN  33           HA       ASN  33   0.511  -3.500   5.848
  180    HB3  ASN  33           2HB      ASN  33   0.159  -3.738   3.366
  181   HD21  ASN  33          1HD2      ASN  33  -0.438  -6.640   2.782
  182   HD22  ASN  33          2HD2      ASN  33   1.015  -7.284   2.092
  183    H    GLY  34           H        GLY  34   3.338  -4.464   6.583
  184    HA2  GLY  34           1HA      GLY  34   4.234  -6.071   7.876
  185    HA3  GLY  34           2HA      GLY  34   2.622  -6.709   8.128
  186    H    LYS  35           H        LYS  35   3.029  -6.525   4.791
  187    HA   LYS  35           HA       LYS  35   4.199  -9.215   4.679
  188    HB3  LYS  35           2HB      LYS  35   2.165  -8.660   2.641
  189    HG3  LYS  35           2HG      LYS  35   3.402 -10.878   3.519
  190    HD3  LYS  35           2HD      LYS  35   1.688 -10.233   5.712
  191    HE3  LYS  35           2HE      LYS  35   0.851 -12.913   4.597
  192    HZ1  LYS  35           1HZ      LYS  35  -1.181 -12.107   5.915
  193    HZ2  LYS  35           2HZ      LYS  35   0.136 -12.508   6.786
  194    H    THR  36           H        THR  36   2.956  -6.888   2.201
  195    HA   THR  36           HA       THR  36   5.713  -6.755   1.167
  196    HB   THR  36           HB       THR  36   3.076  -6.733  -0.393
  197    HG1  THR  36           HG1      THR  36   3.937  -8.746   0.842
  198   HG21  THR  36          1HG2      THR  36   4.770  -7.444  -2.242
  199   HG22  THR  36          2HG2      THR  36   4.768  -5.724  -1.780
  200   HG23  THR  36          3HG2      THR  36   6.030  -6.812  -1.155
  201    H    CYS  37           H        CYS  37   5.879  -4.766  -0.432
  202    HA   CYS  37           HA       CYS  37   4.415  -2.524   0.706
  203    HB3  CYS  37           2HB      CYS  37   6.439  -2.606   2.019
  204    H    ASP  38           H        ASP  38   3.281  -2.593  -1.366
  205    HA   ASP  38           HA       ASP  38   4.311  -0.934  -3.258
  206    HB3  ASP  38           2HB      ASP  38   4.435  -3.840  -4.184
  207    HD2  ASP  38           HD       ASP  38   6.385  -1.002  -5.509
  208    H    CYS  39           H        CYS  39   1.878  -1.040  -2.053
  209    HA   CYS  39           HA       CYS  39  -0.139  -0.633  -3.269
  210    HB3  CYS  39           2HB      CYS  39  -0.400  -3.388  -4.255
  211    HA   PRO  40           HA       PRO  40  -0.830  -4.072  -0.037
  212    HB3  PRO  40           2HB      PRO  40   1.113  -5.092   0.660
  213    HG3  PRO  40           2HG      PRO  40   3.049  -4.022   0.010
  214    HD3  PRO  40           2HD      PRO  40   2.287  -2.886  -1.838
  215    H    ARG  41           H        ARG  41  -2.610  -2.602   0.058
  216    HA   ARG  41           HA       ARG  41  -3.198  -1.808   2.514
  217    HB3  ARG  41           2HB      ARG  41  -1.728   0.441   1.062
  218    HG3  ARG  41           2HG      ARG  41  -4.008   0.581   2.913
  219    HD3  ARG  41           2HD      ARG  41  -1.561   2.243   3.652
  220    HE   ARG  41           HE       ARG  41  -3.540   3.287   4.515
  221   HH11  ARG  41          2HH2      ARG  41  -3.244  -0.075   5.592
  222   HH12  ARG  41          1HH2      ARG  41  -4.419   0.096   6.853
  223   HH22  ARG  41          1HH       ARG  41  -5.491   2.214   7.180
  224    H    ASN  42           H        ASN  42  -4.292  -2.713  -0.054
  225    HA   ASN  42           HA       ASN  42  -6.068  -0.495  -0.684
  226    HB3  ASN  42           2HB      ASN  42  -5.038  -1.261  -2.709
  227   HD21  ASN  42          1HD2      ASN  42  -3.563  -2.709  -1.044
  228   HD22  ASN  42          2HD2      ASN  42  -3.406  -4.357  -1.554
  229    HA   PRO  43           HA       PRO  43  -8.324  -4.003   1.439
  230    HB3  PRO  43           2HB      PRO  43  -7.367  -4.150   3.528
  231    HG3  PRO  43           2HG      PRO  43  -5.879  -2.460   4.027
  232    HD3  PRO  43           2HD      PRO  43  -5.258  -1.824   1.907
  233    H    HIS  44           H        HIS  44  -9.271  -2.232  -0.364
  234    HA   HIS  44           HA       HIS  44 -11.499  -0.977   1.033
  235    HB3  HIS  44           2HB      HIS  44 -11.707   0.475  -0.772
  236    HD1  HIS  44           HD1      HIS  44  -8.626  -0.838   0.702
  237    HD2  HIS  44           HD2      HIS  44  -9.640   2.272  -1.925
  238    HE1  HIS  44           HE1      HIS  44  -6.629   0.749   0.668
  239    H    LYS  45           H        LYS  45 -12.683  -1.168  -1.955
  240    HA   LYS  45           HA       LYS  45 -14.768  -2.631  -1.721
  241    HB3  LYS  45           2HB      LYS  45 -14.279  -3.594  -4.098
  242    HG3  LYS  45           2HG      LYS  45 -14.294  -1.100  -4.964
  243    HD3  LYS  45           2HD      LYS  45 -16.303  -2.790  -3.735
  244    HE3  LYS  45           2HE      LYS  45 -17.780  -0.446  -3.583
  245    HZ1  LYS  45           1HZ      LYS  45 -16.903  -2.469  -1.820
  246    HZ2  LYS  45           2HZ      LYS  45 -16.874  -1.053  -1.017
  247    H    GLY  46           H        GLY  46 -11.635  -4.301  -2.515
  248    HA2  GLY  46           1HA      GLY  46 -12.227  -6.418  -0.663
  249    HA3  GLY  46           2HA      GLY  46 -12.442  -6.896  -2.335
  250    HA   PRO  47           HA       PRO  47  -8.003  -6.057  -2.811
  251    HB3  PRO  47           2HB      PRO  47  -7.768  -4.147  -4.076
  252    HG3  PRO  47           2HG      PRO  47  -9.426  -2.575  -3.764
  253    HD3  PRO  47           2HD      PRO  47 -11.130  -3.924  -3.010
  254    H    ALA  48           H        ALA  48  -5.732  -5.174  -1.826
  255    HA   ALA  48           HA       ALA  48  -5.180  -4.383   0.526
  256    HB1  ALA  48           1HB      ALA  48  -5.625  -6.409   2.120
  257    HB2  ALA  48           2HB      ALA  48  -6.958  -5.283   1.765
  258    HB3  ALA  48           3HB      ALA  48  -6.874  -6.854   0.932
  259    H    THR  49           H        THR  49  -3.025  -4.496   0.124
  260    HA   THR  49           HA       THR  49  -1.928  -7.175  -0.421
  261    HB   THR  49           HB       THR  49  -1.414  -4.469  -1.718
  262    HG1  THR  49           HG1      THR  49  -2.885  -6.454  -2.360
  263   HG21  THR  49          1HG2      THR  49   0.739  -5.018  -2.297
  264   HG22  THR  49          2HG2      THR  49   0.685  -6.169  -0.941
  265   HG23  THR  49          3HG2      THR  49   0.298  -6.717  -2.589
  Start of MODEL   19
    1    H2   GLU   1           1H       GLU   1  11.359  -4.404   2.617
    2    HA   GLU   1           HA       GLU   1   9.526  -3.314   1.180
    3    HB3  GLU   1           2HB      GLU   1  10.920  -1.727   2.118
    4    HG3  GLU   1           2HG      GLU   1  13.520  -1.954   1.129
    5    HE2  GLU   1           HE       GLU   1  12.744  -0.932   4.099
    6    H    CYS   2           H        CYS   2  12.391  -2.662  -0.728
    7    HA   CYS   2           HA       CYS   2  11.398  -2.708  -3.134
    8    HB3  CYS   2           2HB      CYS   2  13.875  -4.263  -3.158
    9    H    GLU   3           H        GLU   3   9.632  -4.114  -3.535
   10    HA   GLU   3           HA       GLU   3   8.542  -6.057  -3.612
   11    HB3  GLU   3           2HB      GLU   3  10.371  -7.397  -5.412
   12    HG3  GLU   3           2HG      GLU   3   7.707  -6.063  -5.442
   13    HE2  GLU   3           HE       GLU   3   7.566  -5.226  -8.851
   14    H    SER   4           H        SER   4   9.535  -6.384  -1.221
   15    HA   SER   4           HA       SER   4   9.790  -9.021  -0.819
   16    HB3  SER   4           2HB      SER   4  12.457  -7.751  -1.404
   17    HG   SER   4           HG       SER   4  11.890  -9.493   0.757
   18    H    GLY   5           H        GLY   5   8.486  -6.935   0.422
   19    HA2  GLY   5           1HA      GLY   5   8.645  -7.229   3.035
   20    HA3  GLY   5           2HA      GLY   5  10.016  -6.165   2.791
   21    HA   PRO   6           HA       PRO   6   5.894  -3.895   2.560
   22    HB3  PRO   6           2HB      PRO   6   4.381  -4.852   4.008
   23    HG3  PRO   6           2HG      PRO   6   5.271  -6.445   5.418
   24    HD3  PRO   6           2HD      PRO   6   7.107  -7.093   4.195
   25    H    CYS   7           H        CYS   7   5.408  -1.645   3.162
   26    HA   CYS   7           HA       CYS   7   6.012   0.345   3.946
   27    HB3  CYS   7           2HB      CYS   7   8.579   0.107   5.078
   28    H    CYS   8           H        CYS   8   6.210   0.107   1.401
   29    HA   CYS   8           HA       CYS   8   8.259   1.663   0.533
   30    HB3  CYS   8           2HB      CYS   8   9.444  -0.683   1.160
   31    H    ARG   9           H        ARG   9   6.798   2.572  -0.906
   32    HA   ARG   9           HA       ARG   9   4.854   1.081  -2.199
   33    HB3  ARG   9           2HB      ARG   9   4.800   3.244  -3.719
   34    HG3  ARG   9           2HG      ARG   9   3.357   2.728  -1.641
   35    HD3  ARG   9           2HD      ARG   9   4.869   2.862   0.194
   36    HE   ARG   9           HE       ARG   9   6.758   4.202  -0.025
   37   HH11  ARG   9          2HH2      ARG   9   4.064   5.852  -1.628
   38   HH12  ARG   9          1HH2      ARG   9   5.030   7.192  -2.147
   39   HH22  ARG   9          1HH       ARG   9   7.362   7.241  -1.595
   40    H    ASN  10           H        ASN  10   8.244   1.499  -2.803
   41    HA   ASN  10           HA       ASN  10   8.339  -0.299  -4.829
   42    HB3  ASN  10           2HB      ASN  10   7.131   1.431  -6.204
   43   HD21  ASN  10          1HD2      ASN  10   8.016   2.963  -3.974
   44   HD22  ASN  10          2HD2      ASN  10   8.620   4.483  -4.546
   45    H    CYS  11           H        CYS  11   9.738   0.556  -2.430
   46    HA   CYS  11           HA       CYS  11  11.896   0.420  -1.841
   47    HB3  CYS  11           2HB      CYS  11  13.734   0.575  -3.308
   48    H    LYS  12           H        LYS  12  10.638   2.276  -0.690
   49    HA   LYS  12           HA       LYS  12  12.284   4.475  -0.448
   50    HB3  LYS  12           2HB      LYS  12   9.843   5.550  -1.738
   51    HG3  LYS  12           2HG      LYS  12  12.049   6.715  -0.776
   52    HD3  LYS  12           2HD      LYS  12  12.875   5.505  -3.391
   53    HE3  LYS  12           2HE      LYS  12  13.735   8.307  -2.523
   54    HZ1  LYS  12           1HZ      LYS  12  14.885   8.064  -4.780
   55    HZ2  LYS  12           2HZ      LYS  12  15.569   7.261  -3.541
   56    H    PHE  13           H        PHE  13   8.974   3.111  -0.303
   57    HA   PHE  13           HA       PHE  13   7.487   3.041   1.322
   58    HB3  PHE  13           2HB      PHE  13  10.115   3.587   2.744
   59    HD1  PHE  13           HD1      PHE  13   6.703   2.615   3.921
   60    HD2  PHE  13           HD2      PHE  13  10.179   4.953   4.596
   61    HE1  PHE  13           HE1      PHE  13   5.732   3.433   6.088
   62    HE2  PHE  13           HE2      PHE  13   9.210   5.771   6.762
   63    HZ   PHE  13           HZ       PHE  13   6.997   5.001   7.482
   64    H    LEU  14           H        LEU  14   5.942   4.370   2.388
   65    HA   LEU  14           HA       LEU  14   6.520   7.229   2.097
   66    HB3  LEU  14           2HB      LEU  14   3.772   6.087   2.414
   67    HG   LEU  14           HG       LEU  14   3.147   7.856   0.828
   68   HD11  LEU  14          1HD1      LEU  14   3.183   9.656   2.353
   69   HD12  LEU  14          2HD1      LEU  14   3.193   8.180   3.347
   70   HD13  LEU  14          3HD1      LEU  14   4.697   9.099   3.104
   71   HD21  LEU  14          1HD2      LEU  14   5.191   8.065  -0.443
   72   HD22  LEU  14          2HD2      LEU  14   4.767   9.642   0.264
   73   HD23  LEU  14          3HD2      LEU  14   6.064   8.662   0.988
   74    H    LYS  15           H        LYS  15   4.157   5.383   4.125
   75    HA   LYS  15           HA       LYS  15   5.377   5.527   6.533
   76    HB3  LYS  15           2HB      LYS  15   5.711   7.883   6.385
   77    HG3  LYS  15           2HG      LYS  15   2.960   7.830   5.239
   78    HD3  LYS  15           2HD      LYS  15   3.888  10.063   7.108
   79    HE3  LYS  15           2HE      LYS  15   1.193  10.149   5.838
   80    HZ1  LYS  15           1HZ      LYS  15   1.836  12.004   7.117
   81    HZ2  LYS  15           2HZ      LYS  15   3.343  12.068   6.501
   82    H    GLU  16           H        GLU  16   4.145   3.577   6.555
   83    HA   GLU  16           HA       GLU  16   2.124   2.485   6.303
   84    HB3  GLU  16           2HB      GLU  16   1.186   2.521   8.718
   85    HG3  GLU  16           2HG      GLU  16   4.190   2.152   8.297
   86    HE2  GLU  16           HE       GLU  16   4.975   2.074  10.223
   87    H    GLY  17           H        GLY  17   0.403   3.063   5.035
   88    HA2  GLY  17           1HA      GLY  17  -1.928   3.901   5.483
   89    HA3  GLY  17           2HA      GLY  17  -1.161   5.430   5.865
   90    H    THR  18           H        THR  18   0.286   3.383   3.369
   91    HA   THR  18           HA       THR  18  -0.373   5.425   1.398
   92    HB   THR  18           HB       THR  18   1.317   3.119   0.609
   93    HG1  THR  18           HG1      THR  18   2.082   4.962   2.758
   94   HG21  THR  18          1HG2      THR  18   2.353   4.797  -0.544
   95   HG22  THR  18          2HG2      THR  18   1.156   5.935   0.120
   96   HG23  THR  18          3HG2      THR  18   2.694   5.663   0.972
   97    H    ILE  19           H        ILE  19  -1.770   2.592   2.567
   98    HA   ILE  19           HA       ILE  19  -3.022   0.977   1.621
   99    HB   ILE  19           HB       ILE  19  -4.791   2.307   1.970
  100   HG13  ILE  19          2HG1      ILE  19  -6.011   1.517   0.287
  101   HG21  ILE  19          1HG2      ILE  19  -5.069   4.577   0.834
  102   HG22  ILE  19          2HG2      ILE  19  -3.764   4.417   2.033
  103   HG23  ILE  19          3HG2      ILE  19  -3.384   4.384   0.294
  104   HD11  ILE  19          1HD1      ILE  19  -4.922   3.934  -1.229
  105   HD12  ILE  19          2HD1      ILE  19  -6.312   2.949  -1.745
  106   HD13  ILE  19          3HD1      ILE  19  -6.400   3.890  -0.238
  107    H    CYS  20           H        CYS  20  -3.436  -0.380  -0.185
  108    HA   CYS  20           HA       CYS  20  -1.485  -0.207  -2.187
  109    HB3  CYS  20           2HB      CYS  20  -3.732  -2.014  -1.510
  110    H    LYS  21           H        LYS  21  -4.930  -0.732  -3.044
  111    HA   LYS  21           HA       LYS  21  -4.846   1.723  -4.643
  112    HB3  LYS  21           2HB      LYS  21  -6.103   0.378  -6.415
  113    HG3  LYS  21           2HG      LYS  21  -3.194   0.285  -5.723
  114    HD3  LYS  21           2HD      LYS  21  -4.476  -1.546  -7.803
  115    HE3  LYS  21           2HE      LYS  21  -1.734  -1.987  -7.866
  116    HZ1  LYS  21           1HZ      LYS  21  -2.146  -1.582 -10.031
  117    HZ2  LYS  21           2HZ      LYS  21  -3.684  -1.227  -9.628
  118    H    ARG  22           H        ARG  22  -6.378   3.048  -3.838
  119    HA   ARG  22           HA       ARG  22  -8.313   2.252  -2.102
  120    HB3  ARG  22           2HB      ARG  22  -8.202   4.635  -4.008
  121    HG3  ARG  22           2HG      ARG  22 -10.501   4.602  -3.453
  122    HD3  ARG  22           2HD      ARG  22 -10.468   2.663  -1.915
  123    HE   ARG  22           HE       ARG  22  -8.599   3.129  -0.430
  124   HH11  ARG  22          2HH2      ARG  22 -11.466   5.108   0.220
  125   HH12  ARG  22          1HH2      ARG  22 -10.959   5.539   1.820
  126   HH22  ARG  22          1HH       ARG  22  -8.876   4.698   2.657
  127    H    ALA  23           H        ALA  23  -8.913   0.189  -3.459
  128    HA   ALA  23           HA       ALA  23 -10.265   0.178  -5.796
  129    HB1  ALA  23           1HB      ALA  23  -9.625  -1.782  -4.356
  130    HB2  ALA  23           2HB      ALA  23 -11.024  -1.419  -3.318
  131    HB3  ALA  23           3HB      ALA  23 -11.274  -1.887  -5.017
  132    H    ARG  24           H        ARG  24 -11.702   0.739  -2.506
  133    HA   ARG  24           HA       ARG  24 -14.251   0.944  -3.038
  134    HB3  ARG  24           2HB      ARG  24 -14.031   3.196  -1.492
  135    HG3  ARG  24           2HG      ARG  24 -13.508   0.297  -0.695
  136    HD3  ARG  24           2HD      ARG  24 -14.286   1.115   1.604
  137    HE   ARG  24           HE       ARG  24 -11.626   1.770   0.460
  138   HH11  ARG  24          2HH2      ARG  24 -13.592   1.249   3.362
  139   HH12  ARG  24          1HH2      ARG  24 -12.224   1.018   4.398
  140   HH22  ARG  24          1HH       ARG  24 -10.017   1.149   3.475
  141    H    GLY  25           H        GLY  25 -11.730   3.125  -4.245
  142    HA2  GLY  25           1HA      GLY  25 -13.749   4.499  -5.879
  143    HA3  GLY  25           2HA      GLY  25 -12.658   5.454  -4.897
  144    H    ASP  26           H        ASP  26 -10.303   3.742  -5.118
  145    HA   ASP  26           HA       ASP  26  -9.760   3.169  -7.785
  146    HB3  ASP  26           2HB      ASP  26  -9.540   5.390  -8.435
  147    HD2  ASP  26           HD       ASP  26  -9.690   5.541  -4.993
  148    H    ASP  27           H        ASP  27  -7.181   4.985  -6.300
  149    HA   ASP  27           HA       ASP  27  -6.366   2.982  -4.481
  150    HB3  ASP  27           2HB      ASP  27  -5.746   2.162  -6.907
  151    HD2  ASP  27           HD       ASP  27  -5.109   4.123  -8.550
  152    H    MET  28           H        MET  28  -4.702   3.862  -3.093
  153    HA   MET  28           HA       MET  28  -4.123   6.650  -3.657
  154    HB3  MET  28           2HB      MET  28  -3.639   6.778  -1.221
  155    HG3  MET  28           2HG      MET  28  -5.861   5.730  -0.332
  156    HE1  MET  28           1HE      MET  28  -6.233   6.494  -3.822
  157    HE2  MET  28           2HE      MET  28  -7.322   7.901  -3.823
  158    HE3  MET  28           3HE      MET  28  -5.563   8.137  -3.965
  159    H    ASP  29           H        ASP  29  -2.375   3.964  -1.927
  160    HA   ASP  29           HA       ASP  29  -0.170   4.258  -3.706
  161    HB3  ASP  29           2HB      ASP  29   1.471   4.941  -2.066
  162    HD2  ASP  29           HD       ASP  29  -0.148   7.869  -0.543
  163    H    ASP  30           H        ASP  30   1.367   3.279  -1.003
  164    HA   ASP  30           HA       ASP  30   0.095   0.717  -0.715
  165    HB3  ASP  30           2HB      ASP  30   2.145  -0.541  -1.239
  166    HD2  ASP  30           HD       ASP  30   3.152  -0.722  -3.478
  167    H    TYR  31           H        TYR  31   0.270   0.150   1.472
  168    HA   TYR  31           HA       TYR  31   2.372   1.518   3.014
  169    HB3  TYR  31           2HB      TYR  31  -0.504   1.392   3.174
  170    HD1  TYR  31           HD1      TYR  31   1.491   0.723   6.246
  171    HD2  TYR  31           HD2      TYR  31  -1.683  -0.600   3.700
  172    HE1  TYR  31           HE1      TYR  31   0.816  -1.014   7.977
  173    HE2  TYR  31           HE2      TYR  31  -2.346  -2.333   5.438
  174    HH   TYR  31           HH       TYR  31  -0.456  -2.709   8.420
  175    H    CYS  32           H        CYS  32   3.587   0.322   4.511
  176    HA   CYS  32           HA       CYS  32   3.873  -2.405   3.905
  177    HB3  CYS  32           2HB      CYS  32   5.718  -0.973   4.656
  178    H    ASN  33           H        ASN  33   1.952  -3.582   4.298
  179    HA   ASN  33           HA       ASN  33   0.783  -3.287   6.927
  180    HB3  ASN  33           2HB      ASN  33  -0.304  -3.698   4.360
  181   HD21  ASN  33          1HD2      ASN  33   0.262  -5.499   3.248
  182   HD22  ASN  33          2HD2      ASN  33  -0.244  -7.106   3.651
  183    H    GLY  34           H        GLY  34   3.387  -4.827   5.827
  184    HA2  GLY  34           1HA      GLY  34   4.480  -6.528   6.984
  185    HA3  GLY  34           2HA      GLY  34   2.942  -7.207   7.478
  186    H    LYS  35           H        LYS  35   3.095  -6.187   4.140
  187    HA   LYS  35           HA       LYS  35   3.120  -8.996   3.354
  188    HB3  LYS  35           2HB      LYS  35   2.301  -6.516   1.811
  189    HG3  LYS  35           2HG      LYS  35   2.971  -8.340   0.304
  190    HD3  LYS  35           2HD      LYS  35   1.644  -9.983   2.388
  191    HE3  LYS  35           2HE      LYS  35   1.241 -10.642  -0.570
  192    HZ1  LYS  35           1HZ      LYS  35   1.304 -12.709   0.344
  193    HZ2  LYS  35           2HZ      LYS  35   1.092 -12.196   1.875
  194    H    THR  36           H        THR  36   3.994  -6.506   1.035
  195    HA   THR  36           HA       THR  36   6.834  -6.988   1.374
  196    HB   THR  36           HB       THR  36   5.841  -8.910  -0.022
  197    HG1  THR  36           HG1      THR  36   7.840  -8.745  -0.979
  198   HG21  THR  36          1HG2      THR  36   5.275  -8.423  -2.348
  199   HG22  THR  36          2HG2      THR  36   4.213  -7.422  -1.328
  200   HG23  THR  36          3HG2      THR  36   5.631  -6.694  -2.121
  201    H    CYS  37           H        CYS  37   4.666  -4.783   1.439
  202    HA   CYS  37           HA       CYS  37   4.564  -2.654   0.923
  203    HB3  CYS  37           2HB      CYS  37   7.034  -2.807   1.482
  204    H    ASP  38           H        ASP  38   3.194  -4.247  -0.786
  205    HA   ASP  38           HA       ASP  38   3.845  -3.096  -3.384
  206    HB3  ASP  38           2HB      ASP  38   2.449  -5.774  -2.990
  207    HD2  ASP  38           HD       ASP  38   4.599  -5.713  -6.113
  208    H    CYS  39           H        CYS  39   2.221  -1.649  -1.718
  209    HA   CYS  39           HA       CYS  39   0.271  -0.604  -1.809
  210    HB3  CYS  39           2HB      CYS  39   0.151  -1.593  -4.207
  211    HA   PRO  40           HA       PRO  40  -1.016  -4.219   0.886
  212    HB3  PRO  40           2HB      PRO  40   0.908  -5.202   1.685
  213    HG3  PRO  40           2HG      PRO  40   2.847  -4.047   1.211
  214    HD3  PRO  40           2HD      PRO  40   2.178  -2.869  -0.646
  215    H    ARG  41           H        ARG  41  -2.456  -2.127   0.552
  216    HA   ARG  41           HA       ARG  41  -3.473  -1.674   3.071
  217    HB3  ARG  41           2HB      ARG  41  -1.851   0.664   1.940
  218    HG3  ARG  41           2HG      ARG  41  -4.145   0.558   3.783
  219    HD3  ARG  41           2HD      ARG  41  -1.597   1.972   4.712
  220    HE   ARG  41           HE       ARG  41  -3.683   3.190   5.332
  221   HH11  ARG  41          2HH2      ARG  41  -3.068   0.102   6.957
  222   HH12  ARG  41          1HH2      ARG  41  -4.074   0.475   8.316
  223   HH22  ARG  41          1HH       ARG  41  -5.207   2.586   8.394
  224    H    ASN  42           H        ASN  42  -4.912  -2.501   1.082
  225    HA   ASN  42           HA       ASN  42  -6.245  -0.119   0.083
  226    HB3  ASN  42           2HB      ASN  42  -5.198  -0.860  -1.913
  227   HD21  ASN  42          1HD2      ASN  42  -4.411  -2.632   0.349
  228   HD22  ASN  42          2HD2      ASN  42  -3.977  -4.155  -0.354
  229    HA   PRO  43           HA       PRO  43  -8.931  -3.351   2.049
  230    HB3  PRO  43           2HB      PRO  43  -8.350  -3.202   4.272
  231    HG3  PRO  43           2HG      PRO  43  -6.955  -1.439   4.786
  232    HD3  PRO  43           2HD      PRO  43  -5.972  -1.085   2.739
  233    H    HIS  44           H        HIS  44  -9.555  -1.895  -0.117
  234    HA   HIS  44           HA       HIS  44 -12.023  -0.562   0.708
  235    HB3  HIS  44           2HB      HIS  44 -11.751   0.913  -0.978
  236    HD1  HIS  44           HD1      HIS  44  -9.433   0.315   1.238
  237    HD2  HIS  44           HD2      HIS  44  -8.910   1.275  -2.812
  238    HE1  HIS  44           HE1      HIS  44  -7.088   1.304   1.034
  239    H    LYS  45           H        LYS  45 -12.649  -0.914  -2.387
  240    HA   LYS  45           HA       LYS  45 -14.655  -2.506  -2.461
  241    HB3  LYS  45           2HB      LYS  45 -13.985  -3.305  -4.726
  242    HG3  LYS  45           2HG      LYS  45 -13.243  -0.829  -5.471
  243    HD3  LYS  45           2HD      LYS  45 -15.799  -0.229  -4.661
  244    HE3  LYS  45           2HE      LYS  45 -14.803  -1.987  -6.938
  245    HZ1  LYS  45           1HZ      LYS  45 -17.341  -0.881  -7.431
  246    HZ2  LYS  45           2HZ      LYS  45 -16.925  -2.456  -7.443
  247    H    GLY  46           H        GLY  46 -11.581  -4.225  -3.291
  248    HA2  GLY  46           1HA      GLY  46 -12.136  -6.249  -1.269
  249    HA3  GLY  46           2HA      GLY  46 -12.276  -6.762  -2.939
  250    HA   PRO  47           HA       PRO  47  -7.800  -5.644  -3.019
  251    HB3  PRO  47           2HB      PRO  47  -7.475  -3.445  -3.615
  252    HG3  PRO  47           2HG      PRO  47  -9.159  -2.010  -2.961
  253    HD3  PRO  47           2HD      PRO  47 -10.910  -3.490  -2.786
  254    H    ALA  48           H        ALA  48  -5.709  -4.696  -1.411
  255    HA   ALA  48           HA       ALA  48  -5.326  -4.815   1.008
  256    HB1  ALA  48           1HB      ALA  48  -6.795  -7.450   0.598
  257    HB2  ALA  48           2HB      ALA  48  -5.926  -6.999   2.085
  258    HB3  ALA  48           3HB      ALA  48  -7.342  -6.057   1.560
  259    H    THR  49           H        THR  49  -3.151  -5.033   1.104
  260    HA   THR  49           HA       THR  49  -1.963  -7.412  -0.125
  261    HB   THR  49           HB       THR  49  -1.517  -4.503  -0.841
  262    HG1  THR  49           HG1      THR  49  -1.425  -7.145  -2.123
  263   HG21  THR  49          1HG2      THR  49   0.563  -6.151  -1.961
  264   HG22  THR  49          2HG2      THR  49   0.754  -4.714  -0.926
  265   HG23  THR  49          3HG2      THR  49   0.638  -6.331  -0.192
  Start of MODEL   20
    1    H2   GLU   1           1H       GLU   1   6.454  -3.188  -4.111
    2    HA   GLU   1           HA       GLU   1   7.716  -4.157  -1.750
    3    HB3  GLU   1           2HB      GLU   1   6.681  -5.363  -4.312
    4    HG3  GLU   1           2HG      GLU   1   7.719  -7.411  -2.550
    5    HE2  GLU   1           HE       GLU   1   8.593  -8.892  -3.714
    6    H    CYS   2           H        CYS   2   9.726  -2.948  -1.729
    7    HA   CYS   2           HA       CYS   2  11.467  -2.805  -3.863
    8    HB3  CYS   2           2HB      CYS   2  12.636  -3.000  -1.143
    9    H    GLU   3           H        GLU   3  11.969  -4.851  -0.893
   10    HA   GLU   3           HA       GLU   3  11.973  -7.288  -1.836
   11    HB3  GLU   3           2HB      GLU   3  13.379  -6.890  -3.725
   12    HG3  GLU   3           2HG      GLU   3  15.279  -5.523  -1.763
   13    HE2  GLU   3           HE       GLU   3  16.102  -6.623  -5.504
   14    H    SER   4           H        SER   4  11.610  -6.269   0.610
   15    HA   SER   4           HA       SER   4  13.272  -7.787   2.197
   16    HB3  SER   4           2HB      SER   4  14.011  -4.855   2.008
   17    HG   SER   4           HG       SER   4  14.680  -4.801   4.062
   18    H    GLY   5           H        GLY   5  10.615  -7.808   2.102
   19    HA2  GLY   5           1HA      GLY   5   8.871  -7.805   3.556
   20    HA3  GLY   5           2HA      GLY   5   9.811  -6.863   4.697
   21    HA   PRO   6           HA       PRO   6   6.731  -4.151   2.595
   22    HB3  PRO   6           2HB      PRO   6   4.708  -4.966   3.335
   23    HG3  PRO   6           2HG      PRO   6   4.863  -6.578   4.977
   24    HD3  PRO   6           2HD      PRO   6   6.977  -7.380   4.565
   25    H    CYS   7           H        CYS   7   5.904  -1.885   3.311
   26    HA   CYS   7           HA       CYS   7   6.303   0.021   4.394
   27    HB3  CYS   7           2HB      CYS   7   8.591  -0.267   5.971
   28    H    CYS   8           H        CYS   8   7.213  -0.654   1.824
   29    HA   CYS   8           HA       CYS   8   9.589   0.999   1.696
   30    HB3  CYS   8           2HB      CYS   8  10.795  -0.938   1.603
   31    H    ARG   9           H        ARG   9   6.662   1.281   1.177
   32    HA   ARG   9           HA       ARG   9   5.345   1.126  -0.810
   33    HB3  ARG   9           2HB      ARG   9   6.693   3.756  -0.122
   34    HG3  ARG   9           2HG      ARG   9   4.476   4.529  -1.557
   35    HD3  ARG   9           2HD      ARG   9   6.070   5.230  -3.331
   36    HE   ARG   9           HE       ARG   9   7.349   5.490  -0.628
   37   HH11  ARG   9          2HH2      ARG   9   5.762   6.944  -3.444
   38   HH12  ARG   9          1HH2      ARG   9   5.966   8.567  -2.876
   39   HH22  ARG   9          1HH       ARG   9   7.059   8.949  -0.777
   40    H    ASN  10           H        ASN  10   5.610   0.330  -2.872
   41    HA   ASN  10           HA       ASN  10   6.820  -0.325  -4.630
   42    HB3  ASN  10           2HB      ASN  10   5.406   1.360  -5.609
   43   HD21  ASN  10          1HD2      ASN  10   8.401   3.166  -4.972
   44   HD22  ASN  10          2HD2      ASN  10   7.666   4.601  -4.339
   45    H    CYS  11           H        CYS  11   8.836  -0.687  -3.119
   46    HA   CYS  11           HA       CYS  11  10.964  -0.418  -2.604
   47    HB3  CYS  11           2HB      CYS  11  11.486   0.705  -5.334
   48    H    LYS  12           H        LYS  12  10.034   1.459  -1.191
   49    HA   LYS  12           HA       LYS  12  11.669   3.424  -0.765
   50    HB3  LYS  12           2HB      LYS  12  10.210   4.116  -3.288
   51    HG3  LYS  12           2HG      LYS  12  10.425   5.858  -0.941
   52    HD3  LYS  12           2HD      LYS  12  11.449   7.171  -3.452
   53    HE3  LYS  12           2HE      LYS  12  11.019   7.852  -0.663
   54    HZ1  LYS  12           1HZ      LYS  12  13.618   8.868  -1.360
   55    HZ2  LYS  12           2HZ      LYS  12  13.096   8.288   0.071
   56    H    PHE  13           H        PHE  13  10.437   2.603   1.130
   57    HA   PHE  13           HA       PHE  13   7.885   2.754   1.721
   58    HB3  PHE  13           2HB      PHE  13  10.265   3.938   3.267
   59    HD1  PHE  13           HD1      PHE  13   6.764   2.751   3.545
   60    HD2  PHE  13           HD2      PHE  13  10.068   4.518   5.538
   61    HE1  PHE  13           HE1      PHE  13   5.298   3.269   5.515
   62    HE2  PHE  13           HE2      PHE  13   8.602   5.037   7.508
   63    HZ   PHE  13           HZ       PHE  13   6.235   4.405   7.474
   64    H    LEU  14           H        LEU  14   6.223   4.221   2.065
   65    HA   LEU  14           HA       LEU  14   6.893   6.996   1.413
   66    HB3  LEU  14           2HB      LEU  14   4.358   5.385   1.167
   67    HG   LEU  14           HG       LEU  14   3.519   7.448  -0.092
   68   HD11  LEU  14          1HD1      LEU  14   3.195   8.470   2.509
   69   HD12  LEU  14          2HD1      LEU  14   2.104   7.385   1.615
   70   HD13  LEU  14          3HD1      LEU  14   3.352   6.705   2.688
   71   HD21  LEU  14          1HD2      LEU  14   5.905   8.576   1.285
   72   HD22  LEU  14          2HD2      LEU  14   5.161   9.005  -0.274
   73   HD23  LEU  14          3HD2      LEU  14   4.429   9.571   1.246
   74    H    LYS  15           H        LYS  15   4.680   5.067   3.560
   75    HA   LYS  15           HA       LYS  15   5.357   5.857   5.955
   76    HB3  LYS  15           2HB      LYS  15   4.363   8.255   4.526
   77    HG3  LYS  15           2HG      LYS  15   3.222   7.290   7.121
   78    HD3  LYS  15           2HD      LYS  15   4.774   9.771   6.927
   79    HE3  LYS  15           2HE      LYS  15   2.282  10.449   8.309
   80    HZ1  LYS  15           1HZ      LYS  15   2.684  12.277   6.404
   81    HZ2  LYS  15           2HZ      LYS  15   3.504  12.292   7.812
   82    H    GLU  16           H        GLU  16   4.250   4.056   6.615
   83    HA   GLU  16           HA       GLU  16   2.274   2.736   6.033
   84    HB3  GLU  16           2HB      GLU  16   1.262   2.835   8.393
   85    HG3  GLU  16           2HG      GLU  16   4.282   2.644   7.997
   86    HE2  GLU  16           HE       GLU  16   4.226   3.811  10.076
   87    H    GLY  17           H        GLY  17   0.308   2.887   5.039
   88    HA2  GLY  17           1HA      GLY  17  -1.957   3.748   5.248
   89    HA3  GLY  17           2HA      GLY  17  -1.276   5.337   5.535
   90    H    THR  18           H        THR  18   0.575   3.511   3.253
   91    HA   THR  18           HA       THR  18  -0.144   5.304   1.149
   92    HB   THR  18           HB       THR  18   1.431   2.914   0.431
   93    HG1  THR  18           HG1      THR  18   3.112   3.698   2.080
   94   HG21  THR  18          1HG2      THR  18   2.963   5.358   0.859
   95   HG22  THR  18          2HG2      THR  18   2.603   4.532  -0.676
   96   HG23  THR  18          3HG2      THR  18   1.468   5.740  -0.028
   97    H    ILE  19           H        ILE  19  -1.587   2.477   2.390
   98    HA   ILE  19           HA       ILE  19  -2.861   0.874   1.440
   99    HB   ILE  19           HB       ILE  19  -4.597   2.214   1.940
  100   HG13  ILE  19          2HG1      ILE  19  -5.980   1.525   0.346
  101   HG21  ILE  19          1HG2      ILE  19  -3.739   4.346   1.996
  102   HG22  ILE  19          2HG2      ILE  19  -3.185   4.290   0.304
  103   HG23  ILE  19          3HG2      ILE  19  -4.917   4.484   0.669
  104   HD11  ILE  19          1HD1      ILE  19  -6.290   3.827  -0.349
  105   HD12  ILE  19          2HD1      ILE  19  -4.762   3.811  -1.263
  106   HD13  ILE  19          3HD1      ILE  19  -6.145   2.842  -1.825
  107    H    CYS  20           H        CYS  20  -3.317  -0.439  -0.375
  108    HA   CYS  20           HA       CYS  20  -1.478  -0.194  -2.459
  109    HB3  CYS  20           2HB      CYS  20  -3.796  -1.974  -1.854
  110    H    LYS  21           H        LYS  21  -4.953  -0.661  -3.210
  111    HA   LYS  21           HA       LYS  21  -4.923   1.870  -4.686
  112    HB3  LYS  21           2HB      LYS  21  -6.084   0.723  -6.560
  113    HG3  LYS  21           2HG      LYS  21  -3.608  -0.891  -6.352
  114    HD3  LYS  21           2HD      LYS  21  -3.221   1.091  -8.247
  115    HE3  LYS  21           2HE      LYS  21  -4.725  -1.557  -8.487
  116    HZ1  LYS  21           1HZ      LYS  21  -5.197  -0.572 -10.507
  117    HZ2  LYS  21           2HZ      LYS  21  -3.889   0.398 -10.510
  118    H    ARG  22           H        ARG  22  -6.445   3.129  -3.762
  119    HA   ARG  22           HA       ARG  22  -8.333   2.211  -2.035
  120    HB3  ARG  22           2HB      ARG  22  -8.306   4.708  -3.796
  121    HG3  ARG  22           2HG      ARG  22 -10.570   4.648  -3.143
  122    HD3  ARG  22           2HD      ARG  22 -10.445   2.572  -1.777
  123    HE   ARG  22           HE       ARG  22  -8.521   3.069  -0.317
  124   HH11  ARG  22          2HH2      ARG  22 -11.596   4.547   0.639
  125   HH12  ARG  22          1HH2      ARG  22 -11.113   4.784   2.285
  126   HH22  ARG  22          1HH       ARG  22  -8.926   4.090   2.978
  127    H    ALA  23           H        ALA  23  -8.922   0.233  -3.542
  128    HA   ALA  23           HA       ALA  23 -10.330   0.349  -5.830
  129    HB1  ALA  23           1HB      ALA  23  -9.651  -1.673  -4.449
  130    HB2  ALA  23           2HB      ALA  23 -11.106  -1.394  -3.463
  131    HB3  ALA  23           3HB      ALA  23 -11.264  -1.772  -5.195
  132    H    ARG  24           H        ARG  24 -11.842   0.483  -2.521
  133    HA   ARG  24           HA       ARG  24 -14.347   0.780  -2.998
  134    HB3  ARG  24           2HB      ARG  24 -14.188   2.896  -1.297
  135    HG3  ARG  24           2HG      ARG  24 -13.424   0.003  -0.692
  136    HD3  ARG  24           2HD      ARG  24 -14.157   0.559   1.653
  137    HE   ARG  24           HE       ARG  24 -11.690   1.565   0.453
  138   HH11  ARG  24          2HH2      ARG  24 -13.510   1.311   3.482
  139   HH12  ARG  24          1HH2      ARG  24 -12.105   1.461   4.484
  140   HH22  ARG  24          1HH       ARG  24  -9.955   1.725   3.458
  141    H    GLY  25           H        GLY  25 -11.875   3.177  -3.948
  142    HA2  GLY  25           1HA      GLY  25 -13.941   4.608  -5.492
  143    HA3  GLY  25           2HA      GLY  25 -12.815   5.488  -4.479
  144    H    ASP  26           H        ASP  26 -10.448   3.888  -4.880
  145    HA   ASP  26           HA       ASP  26  -9.998   3.471  -7.603
  146    HB3  ASP  26           2HB      ASP  26  -8.876   6.040  -6.390
  147    HD2  ASP  26           HD       ASP  26  -9.088   4.659  -9.631
  148    H    ASP  27           H        ASP  27  -7.345   5.175  -6.164
  149    HA   ASP  27           HA       ASP  27  -6.471   3.048  -4.496
  150    HB3  ASP  27           2HB      ASP  27  -5.918   2.453  -7.006
  151    HD2  ASP  27           HD       ASP  27  -4.096   4.875  -8.654
  152    H    MET  28           H        MET  28  -4.767   3.828  -3.094
  153    HA   MET  28           HA       MET  28  -4.296   6.669  -3.375
  154    HB3  MET  28           2HB      MET  28  -3.395   6.345  -0.974
  155    HG3  MET  28           2HG      MET  28  -5.661   5.866   0.019
  156    HE1  MET  28           1HE      MET  28  -6.292   7.556   0.870
  157    HE2  MET  28           2HE      MET  28  -5.398   9.040   0.459
  158    HE3  MET  28           3HE      MET  28  -7.144   8.935   0.136
  159    H    ASP  29           H        ASP  29  -2.242   4.025  -1.974
  160    HA   ASP  29           HA       ASP  29  -0.225   4.607  -3.934
  161    HB3  ASP  29           2HB      ASP  29   1.520   4.892  -2.112
  162    HD2  ASP  29           HD       ASP  29  -0.186   7.946  -0.863
  163    H    ASP  30           H        ASP  30   1.232   3.368  -1.129
  164    HA   ASP  30           HA       ASP  30   0.201   0.765  -1.123
  165    HB3  ASP  30           2HB      ASP  30   1.311   0.021  -2.988
  166    HD2  ASP  30           HD       ASP  30   4.224   0.815  -4.155
  167    H    TYR  31           H        TYR  31   0.480   0.459   1.095
  168    HA   TYR  31           HA       TYR  31   3.018   1.380   2.260
  169    HB3  TYR  31           2HB      TYR  31   0.289   1.884   2.840
  170    HD1  TYR  31           HD2      TYR  31  -1.000  -0.255   3.045
  171    HD2  TYR  31           HD1      TYR  31   1.989   0.871   5.892
  172    HE1  TYR  31           HE2      TYR  31  -1.936  -1.938   4.705
  173    HE2  TYR  31           HE1      TYR  31   1.042  -0.816   7.543
  174    HH   TYR  31           HH       TYR  31  -1.817  -2.753   6.698
  175    H    CYS  32           H        CYS  32   4.038   0.030   3.884
  176    HA   CYS  32           HA       CYS  32   4.461  -2.509   3.229
  177    HB3  CYS  32           2HB      CYS  32   5.894  -1.861   4.849
  178    H    ASN  33           H        ASN  33   2.879  -2.397   6.398
  179    HA   ASN  33           HA       ASN  33   0.739  -2.962   6.917
  180    HB3  ASN  33           2HB      ASN  33   0.691  -3.668   4.079
  181   HD21  ASN  33          1HD2      ASN  33   0.062  -5.419   3.034
  182   HD22  ASN  33          2HD2      ASN  33  -0.449  -6.915   3.741
  183    H    GLY  34           H        GLY  34   3.319  -4.968   5.543
  184    HA2  GLY  34           1HA      GLY  34   4.362  -6.521   7.088
  185    HA3  GLY  34           2HA      GLY  34   2.763  -7.048   7.574
  186    H    LYS  35           H        LYS  35   3.201  -6.261   4.176
  187    HA   LYS  35           HA       LYS  35   3.211  -9.141   3.595
  188    HB3  LYS  35           2HB      LYS  35   2.186  -7.059   1.684
  189    HG3  LYS  35           2HG      LYS  35   2.494  -9.525   1.076
  190    HD3  LYS  35           2HD      LYS  35   1.501 -10.085   3.541
  191    HE3  LYS  35           2HE      LYS  35  -0.766  -9.119   2.817
  192    HZ1  LYS  35           1HZ      LYS  35  -0.872 -11.614   1.210
  193    HZ2  LYS  35           2HZ      LYS  35  -2.069 -10.520   1.367
  194    H    THR  36           H        THR  36   3.849  -6.247   1.530
  195    HA   THR  36           HA       THR  36   6.659  -6.976   1.379
  196    HB   THR  36           HB       THR  36   6.493  -7.125  -1.139
  197    HG1  THR  36           HG1      THR  36   3.647  -7.240  -0.438
  198   HG21  THR  36          1HG2      THR  36   5.459  -9.329  -1.285
  199   HG22  THR  36          2HG2      THR  36   6.269  -9.243   0.297
  200   HG23  THR  36          3HG2      THR  36   4.505  -9.035   0.188
  201    H    CYS  37           H        CYS  37   3.945  -4.779   0.932
  202    HA   CYS  37           HA       CYS  37   4.092  -2.550   1.308
  203    HB3  CYS  37           2HB      CYS  37   6.615  -2.995   1.899
  204    H    ASP  38           H        ASP  38   3.391  -4.242  -1.026
  205    HA   ASP  38           HA       ASP  38   4.029  -2.366  -3.162
  206    HB3  ASP  38           2HB      ASP  38   3.085  -5.268  -3.326
  207    HD2  ASP  38           HD       ASP  38   3.304  -6.143  -5.337
  208    H    CYS  39           H        CYS  39   2.112  -1.296  -1.674
  209    HA   CYS  39           HA       CYS  39   0.084  -0.422  -1.951
  210    HB3  CYS  39           2HB      CYS  39   0.268  -1.520  -4.360
  211    HA   PRO  40           HA       PRO  40  -1.046  -4.285   0.506
  212    HB3  PRO  40           2HB      PRO  40   0.883  -5.334   1.198
  213    HG3  PRO  40           2HG      PRO  40   2.819  -4.142   0.809
  214    HD3  PRO  40           2HD      PRO  40   2.134  -2.808  -0.932
  215    H    ARG  41           H        ARG  41  -2.544  -2.249   0.389
  216    HA   ARG  41           HA       ARG  41  -3.485  -1.983   2.960
  217    HB3  ARG  41           2HB      ARG  41  -1.942   0.457   1.940
  218    HG3  ARG  41           2HG      ARG  41  -3.893   0.077   4.243
  219    HD3  ARG  41           2HD      ARG  41  -2.800   2.648   4.487
  220    HE   ARG  41           HE       ARG  41  -1.786   0.473   6.223
  221   HH11  ARG  41          2HH2      ARG  41  -4.371   2.809   5.579
  222   HH12  ARG  41          1HH2      ARG  41  -5.017   2.723   7.184
  223   HH22  ARG  41          1HH       ARG  41  -3.983   1.276   8.790
  224    H    ASN  42           H        ASN  42  -4.684  -2.680   0.587
  225    HA   ASN  42           HA       ASN  42  -6.185  -0.275  -0.101
  226    HB3  ASN  42           2HB      ASN  42  -5.162  -0.910  -2.144
  227   HD21  ASN  42          1HD2      ASN  42  -4.224  -2.720  -0.033
  228   HD22  ASN  42          2HD2      ASN  42  -3.817  -4.222  -0.793
  229    HA   PRO  43           HA       PRO  43  -8.808  -3.646   1.727
  230    HB3  PRO  43           2HB      PRO  43  -8.159  -3.668   3.936
  231    HG3  PRO  43           2HG      PRO  43  -6.742  -1.951   4.541
  232    HD3  PRO  43           2HD      PRO  43  -5.821  -1.444   2.496
  233    H    HIS  44           H        HIS  44  -9.504  -2.053  -0.305
  234    HA   HIS  44           HA       HIS  44 -11.917  -0.742   0.692
  235    HB3  HIS  44           2HB      HIS  44 -11.730   0.786  -0.973
  236    HD1  HIS  44           HD1      HIS  44  -9.346   0.061   1.182
  237    HD2  HIS  44           HD2      HIS  44  -8.951   1.354  -2.788
  238    HE1  HIS  44           HE1      HIS  44  -7.033   1.124   1.004
  239    H    LYS  45           H        LYS  45 -12.684  -0.941  -2.386
  240    HA   LYS  45           HA       LYS  45 -14.720  -2.501  -2.436
  241    HB3  LYS  45           2HB      LYS  45 -13.991  -3.313  -4.772
  242    HG3  LYS  45           2HG      LYS  45 -13.528  -0.424  -4.877
  243    HD3  LYS  45           2HD      LYS  45 -15.194  -2.459  -6.085
  244    HE3  LYS  45           2HE      LYS  45 -16.652   0.044  -5.112
  245    HZ1  LYS  45           1HZ      LYS  45 -17.296  -0.492  -7.363
  246    HZ2  LYS  45           2HZ      LYS  45 -17.469  -2.075  -7.025
  247    H    GLY  46           H        GLY  46 -11.623  -4.157  -3.355
  248    HA2  GLY  46           1HA      GLY  46 -12.180  -6.299  -1.470
  249    HA3  GLY  46           2HA      GLY  46 -12.333  -6.723  -3.165
  250    HA   PRO  47           HA       PRO  47  -7.867  -5.632  -3.278
  251    HB3  PRO  47           2HB      PRO  47  -7.562  -3.440  -3.916
  252    HG3  PRO  47           2HG      PRO  47  -9.243  -2.004  -3.259
  253    HD3  PRO  47           2HD      PRO  47 -10.984  -3.490  -3.033
  254    H    ALA  48           H        ALA  48  -5.753  -4.653  -1.724
  255    HA   ALA  48           HA       ALA  48  -5.314  -4.727   0.681
  256    HB1  ALA  48           1HB      ALA  48  -7.308  -5.916   1.349
  257    HB2  ALA  48           2HB      ALA  48  -6.858  -7.328   0.363
  258    HB3  ALA  48           3HB      ALA  48  -5.904  -6.910   1.805
  259    H    THR  49           H        THR  49  -3.140  -4.979   0.752
  260    HA   THR  49           HA       THR  49  -2.006  -7.408  -0.413
  261    HB   THR  49           HB       THR  49  -1.460  -4.528  -1.237
  262    HG1  THR  49           HG1      THR  49  -1.474  -5.905  -3.309
  263   HG21  THR  49          1HG2      THR  49   0.752  -5.670  -0.657
  264   HG22  THR  49          2HG2      THR  49   0.318  -6.953  -1.813
  265   HG23  THR  49          3HG2      THR  49   0.567  -5.285  -2.385