*HEADER    CELL ADHESION                           24-MAR-04   1SSU              
*TITLE     STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR DISULFIDE BOND                
*TITLE    2 HETEROGENEITY IN ACTIVE FORMS OF THE SOMATOMEDIN B DOMAIN            
*TITLE    3 OF HUMAN VITRONECTIN                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VITRONECTIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SOMATOMEDIN B DOMAIN OF HUMAN VITRONECTIN;                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: VTN;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21TRXB(DE3);                             
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-32A                                   
*KEYWDS    SOMATOSTATIN B DOMAIN, VITRONECTIN, NMR STRUCTURE,                    
*KEYWDS   2 DISULFIDE BONDS HETEROGENEITY                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.KAMIKUBO, R.DE GUZMAN, G.KROON, S.CURRIDEN, J.G.NEELS,              
*AUTHOR   2 M.J.CHURCHILL, P.DAWSON, S.OLDZIEJ, A.JAGIELSKA,                     
*AUTHOR   3 H.A.SCHERAGA, D.J.LOSKUTOFF, H.J.DYSON                               
*REVDAT   1   27-JUL-04 1SSU    0                                                

# distance restraints 
  1 ASP  HB2     1 ASP  HB1     2.5 
  2 GLN  HB2     2 GLN  HA      4.0 
  2 GLN  HE21    2 GLN  HB1     6.5 
  2 GLN  HE22    2 GLN  HE21    2.5 
  2 GLN  HG1     2 GLN  HB2     3.0 
  2 GLN  HG1     2 GLN  HE21    6.5 
  2 GLN  HG1     2 GLN  HE22    6.5 
  2 GLN  HN      2 GLN  HB1     6.5 
  2 GLN  HA      3 GLU  HN      2.7 
  2 GLN  HB1     3 GLU  HN      6.5 
  3 GLU  HB1     3 GLU  HA      4.0 
  3 GLU  HB2     3 GLU  HA      4.0 
  3 GLU  HB2     3 GLU  HB1     4.0 
  3 GLU  HG1     3 GLU  HA      4.0 
  3 GLU  HG1     3 GLU  HB1     4.0 
  3 GLU  HG1     3 GLU  HB2     4.0 
  3 GLU  HG2     3 GLU  HB2     4.0 
  3 GLU  HN      3 GLU  HB1     4.0 
  3 GLU  HN      3 GLU  HB2     4.0 
  3 GLU  HN      3 GLU  HG1     5.0 
  3 GLU  HA      4 SER  HN      2.5 
  3 GLU  HB2     4 SER  HN      6.5 
  4 SER  HB1     4 SER  HA      6.5 
  4 SER  HB2     4 SER  HA      4.0 
  4 SER  HB2     4 SER  HB1     2.5 
  4 SER  HN      4 SER  HB1     4.0 
  4 SER  HN      4 SER  HB2     5.0 
  4 SER  HA      5 CYS  HN      2.7 
  4 SER  HB1     5 CYS  HN      6.5 
  4 SER  HB2     5 CYS  HN      5.0 
  4 SER  HN      5 CYS  HN      6.5 
  4 SER  HA      6 LYS  HN      6.5 
  4 SER  HB1     6 LYS  HN      6.5 
  4 SER  HN      6 LYS  HN      6.5 
  4 SER  HA     32 CYS  HB1     5.0 
  4 SER  HA     32 CYS  HB2     5.0 
  4 SER  HA     34 ASP  HN      6.5 
  5 CYS  HB1     5 CYS  HA      6.5 
  5 CYS  HB2     5 CYS  HB1     2.5 
  5 CYS  HN      5 CYS  HB1     5.0 
  5 CYS  HN      5 CYS  HB2     5.0 
  5 CYS  HB1     6 LYS  HN      6.5 
  5 CYS  HB2     6 LYS  HN      6.5 
  5 CYS  HN      6 LYS  HN      3.5 
  5 CYS  HA      8 ARG  HB1     6.5 
  5 CYS  HA      8 ARG  HD2     6.5 
  5 CYS  HA      8 ARG  HG2     6.5 
  5 CYS  HA      8 ARG  HN      6.5 
  5 CYS  HB1     8 ARG  HB2     6.5 
  5 CYS  HB1     9 CYS  HA      6.5 
  5 CYS  HB2    32 CYS  HB1     6.5 
  5 CYS  HB2    32 CYS  HB2     6.5 
  5 CYS  HN     32 CYS  HB1     6.5 
  5 CYS  HN     32 CYS  HB2     6.5 
  5 CYS  HN     34 ASP  HN      6.5 
  5 CYS  HB2    35 TYR  HA      5.0 
  5 CYS  HB2    35 TYR  HD1     6.5 
  5 CYS  HB2    35 TYR  HN      6.5 
  5 CYS  HN     35 TYR  HA      6.5 
  5 CYS  HB1    38 GLU  HB1     6.5 
  5 CYS  HB1    38 GLU  HB2     5.0 
  5 CYS  HB2    38 GLU  HB1     6.5 
  5 CYS  HB2    38 GLU  HN      6.5 
  5 CYS  HN     38 GLU  HB2     6.5 
  5 CYS  HB1    39 CYS  HB2     6.5 
  6 LYS  HB1     6 LYS  HA      4.0 
  6 LYS  HB2     6 LYS  HA      3.0 
  6 LYS  HB2     6 LYS  HB1     2.5 
  6 LYS  HD2     6 LYS  HA      5.0 
  6 LYS  HE2     6 LYS  HA      6.5 
  6 LYS  HE2     6 LYS  HB1     5.0 
  6 LYS  HG1     6 LYS  HA      5.0 
  6 LYS  HG1     6 LYS  HB1     4.0 
  6 LYS  HG1     6 LYS  HB2     4.0 
  6 LYS  HG1     6 LYS  HD1     6.5 
  6 LYS  HG1     6 LYS  HD2     3.0 
  6 LYS  HG1     6 LYS  HE2     4.0 
  6 LYS  HG2     6 LYS  HA      5.0 
  6 LYS  HG2     6 LYS  HB1     5.0 
  6 LYS  HG2     6 LYS  HD2     2.5 
  6 LYS  HG2     6 LYS  HE2     5.0 
  6 LYS  HG2     6 LYS  HG1     3.0 
  6 LYS  HN      6 LYS  HB1     4.0 
  6 LYS  HN      6 LYS  HB2     4.0 
  6 LYS  HN      6 LYS  HD1     6.5 
  6 LYS  HN      6 LYS  HE2     6.5 
  6 LYS  HN      6 LYS  HG1     6.5 
  6 LYS  HN      6 LYS  HG2     6.5 
  6 LYS  HA      7 GLY  HN      2.5 
  6 LYS  HB1     7 GLY  HN      6.5 
  6 LYS  HB2     7 GLY  HN      6.5 
  6 LYS  HD1     7 GLY  HN      6.5 
  6 LYS  HD2     7 GLY  HN      6.5 
  6 LYS  HG1     7 GLY  HN      6.5 
  6 LYS  HG2     7 GLY  HN      6.5 
  6 LYS  HN      7 GLY  HN      6.5 
  7 GLY  HA2     7 GLY  HA1     2.5 
  7 GLY  HA1     8 ARG  HN      6.5 
  7 GLY  HN      8 ARG  HN      3.5 
  7 GLY  HA1     9 CYS  HN      6.5 
  7 GLY  HN      9 CYS  HN      6.5 
  8 ARG  HB1     8 ARG  HA      3.0 
  8 ARG  HB2     8 ARG  HA      4.0 
  8 ARG  HD1     8 ARG  HB1     5.0 
  8 ARG  HD1     8 ARG  HB2     4.0 
  8 ARG  HD2     8 ARG  HA      6.5 
  8 ARG  HD2     8 ARG  HB1     5.0 
  8 ARG  HD2     8 ARG  HB2     5.0 
  8 ARG  HD2     8 ARG  HD1     2.5 
  8 ARG  HE      8 ARG  HA      6.5 
  8 ARG  HE      8 ARG  HB1     4.0 
  8 ARG  HE      8 ARG  HB2     5.0 
  8 ARG  HE      8 ARG  HD1     6.5 
  8 ARG  HE      8 ARG  HD2     6.5 
  8 ARG  HG1     8 ARG  HA      5.0 
  8 ARG  HG1     8 ARG  HB1     3.0 
  8 ARG  HG1     8 ARG  HB2     3.0 
  8 ARG  HG1     8 ARG  HD1     4.0 
  8 ARG  HG1     8 ARG  HD2     5.0 
  8 ARG  HG1     8 ARG  HE      5.0 
  8 ARG  HH11    8 ARG  HB1     6.5 
  8 ARG  HH11    8 ARG  HD1     6.5 
  8 ARG  HH11    8 ARG  HD2     6.5 
  8 ARG  HH11    8 ARG  HE      6.5 
  8 ARG  HN      8 ARG  HB2     4.0 
  8 ARG  HN      8 ARG  HD1     6.5 
  8 ARG  HN      8 ARG  HD2     6.5 
  8 ARG  HN      8 ARG  HE      6.5 
  8 ARG  HN      8 ARG  HG1     5.0 
  8 ARG  HB1     9 CYS  HN      6.5 
  8 ARG  HB2     9 CYS  HN      6.5 
  8 ARG  HD1     9 CYS  HN      6.5 
  8 ARG  HD2     9 CYS  HN      6.5 
  8 ARG  HE      9 CYS  HN      6.5 
  8 ARG  HG1     9 CYS  HN      6.5 
  8 ARG  HN      9 CYS  HN      3.0 
  8 ARG  HN     10 THR  HN      6.5 
  8 ARG  HA     11 GLU  HB2     6.5 
  8 ARG  HA     11 GLU  HG1     6.5 
  8 ARG  HB2    21 CYS  HB1     6.5 
  9 CYS  HB1     9 CYS  HA      4.0 
  9 CYS  HB2     9 CYS  HA      4.0 
  9 CYS  HB2     9 CYS  HB1     2.5 
  9 CYS  HN      9 CYS  HB1     4.0 
  9 CYS  HB1    10 THR  HN      6.5 
  9 CYS  HB2    10 THR  HN      6.5 
  9 CYS  HN     10 THR  HN      6.5 
  9 CYS  HA     21 CYS  HB2     5.0 
  9 CYS  HN     21 CYS  HB2     6.5 
  9 CYS  HA     35 TYR  HD1     6.5 
  9 CYS  HB1    35 TYR  HE1     6.5 
  9 CYS  HA     39 CYS  HB1     6.5 
  9 CYS  HA     39 CYS  HB2     6.5 
  9 CYS  HB1    39 CYS  HA      6.5 
  9 CYS  HB1    39 CYS  HB1     6.5 
  9 CYS  HB1    39 CYS  HB2     6.5 
  9 CYS  HB2    39 CYS  HA      6.5 
  9 CYS  HB2    39 CYS  HB1     6.5 
  9 CYS  HB2    39 CYS  HB2     6.5 
  9 CYS  HN     39 CYS  HA      6.5 
  9 CYS  HN     39 CYS  HB1     6.5 
  9 CYS  HN     39 CYS  HB2     6.5 
 10 THR  HN     10 THR  HB      6.5 
 10 THR  QG2    10 THR  HA      2.5 
 10 THR  QG2    10 THR  HB      2.5 
 10 THR  QG2    10 THR  HN      6.5 
 10 THR  HB     11 GLU  HN      6.5 
 10 THR  HN     11 GLU  HN      3.5 
 10 THR  QG2    11 GLU  HN      6.5 
 10 THR  HN     22 ASP  HB1     6.5 
 10 THR  HA     23 GLU  HN      6.5 
 10 THR  HN     23 GLU  HG1     6.5 
 10 THR  QG2    23 GLU  HG2     6.5 
 11 GLU  HB2    11 GLU  HA      3.0 
 11 GLU  HG1    11 GLU  HA      5.0 
 11 GLU  HG2    11 GLU  HA      5.0 
 11 GLU  HG2    11 GLU  HB2     4.0 
 11 GLU  HG2    11 GLU  HG1     2.5 
 11 GLU  HN     11 GLU  HA      5.0 
 11 GLU  HN     11 GLU  HB2     4.0 
 11 GLU  HN     11 GLU  HG1     6.5 
 11 GLU  HN     11 GLU  HG2     5.0 
 11 GLU  HB2    12 GLY  HN      4.0 
 11 GLU  HG2    12 GLY  HN      6.5 
 11 GLU  HN     12 GLY  HN      3.5 
 11 GLU  HG2    21 CYS  HB1     4.0 
 12 GLY  HA2    12 GLY  HA1     4.0 
 12 GLY  HA1    13 PHE  HN      3.0 
 12 GLY  HA2    13 PHE  HN      3.0 
 12 GLY  HA1    22 ASP  HB1     6.5 
 12 GLY  HA1    22 ASP  HB2     6.5 
 12 GLY  HA2    22 ASP  HB1     6.5 
 12 GLY  HA2    22 ASP  HB2     6.5 
 12 GLY  HN     22 ASP  HA      6.5 
 12 GLY  HN     22 ASP  HB2     6.5 
 12 GLY  HA1    23 GLU  HN      6.5 
 12 GLY  HA2    23 GLU  HN      6.5 
 12 GLY  HN     23 GLU  HG1     5.0 
 13 PHE  HB1    13 PHE  HA      4.0 
 13 PHE  HB2    13 PHE  HB1     2.5 
 13 PHE  HD1    13 PHE  HA      4.0 
 13 PHE  HD1    13 PHE  HB1     3.0 
 13 PHE  HD1    13 PHE  HB2     3.0 
 13 PHE  HE1    13 PHE  HD1     2.5 
 13 PHE  HN     13 PHE  HA      4.0 
 13 PHE  HN     13 PHE  HB2     4.0 
 13 PHE  HN     13 PHE  HD1     5.0 
 13 PHE  HA     14 ASN  HN      2.7 
 13 PHE  HB1    14 ASN  HN      6.5 
 13 PHE  HB2    14 ASN  HN      6.5 
 13 PHE  HD1    14 ASN  HN      6.5 
 13 PHE  HE1    14 ASN  HN      6.5 
 13 PHE  HB2    15 VAL  HN      6.5 
 13 PHE  HB2    15 VAL  QG2     6.5 
 13 PHE  HD1    15 VAL  HA      5.0 
 13 PHE  HD1    15 VAL  HB      5.0 
 13 PHE  HD1    15 VAL  HN      6.5 
 13 PHE  HD1    15 VAL  QG1     5.0 
 13 PHE  HD1    15 VAL  QG2     5.0 
 13 PHE  HE1    15 VAL  HA      5.0 
 13 PHE  HE1    15 VAL  HB      5.0 
 13 PHE  HE1    15 VAL  HN      6.5 
 13 PHE  HE1    15 VAL  QG1     5.0 
 13 PHE  HE1    15 VAL  QG2     5.0 
 13 PHE  HD1    16 ASP  HN      6.5 
 13 PHE  HE1    16 ASP  HN      6.5 
 13 PHE  HA     20 GLN  HE22    6.5 
 13 PHE  HD1    20 GLN  HA      6.5 
 13 PHE  HD1    20 GLN  HB2     6.5 
 13 PHE  HD1    20 GLN  HE21    6.5 
 13 PHE  HD1    20 GLN  HE22    6.5 
 13 PHE  HD1    20 GLN  HG2     5.0 
 13 PHE  HE1    20 GLN  HB2     6.5 
 13 PHE  HE1    20 GLN  HE21    6.5 
 13 PHE  HE1    20 GLN  HE22    6.5 
 13 PHE  HE1    20 GLN  HG2     6.5 
 13 PHE  HA     21 CYS  HN      6.5 
 13 PHE  HD1    21 CYS  HN      6.5 
 13 PHE  HA     22 ASP  HB1     6.5 
 13 PHE  HA     22 ASP  HB2     6.5 
 13 PHE  HD1    22 ASP  HB1     6.5 
 13 PHE  HD1    22 ASP  HN      6.5 
 13 PHE  HN     22 ASP  HB1     6.5 
 13 PHE  HN     22 ASP  HB2     6.5 
 13 PHE  HA     23 GLU  HN      6.5 
 13 PHE  HB1    24 LEU  QD1     6.5 
 13 PHE  HB1    24 LEU  QD2     6.5 
 13 PHE  HB2    24 LEU  QD1     6.5 
 13 PHE  HD1    24 LEU  HB1     6.5 
 13 PHE  HD1    24 LEU  HB2     6.5 
 13 PHE  HD1    24 LEU  QD1     6.5 
 13 PHE  HD1    24 LEU  QD2     6.5 
 13 PHE  HE1    24 LEU  HB1     6.5 
 13 PHE  HE1    24 LEU  QD1     6.5 
 13 PHE  HE1    24 LEU  QD2     6.5 
 13 PHE  HN     24 LEU  QD1     6.5 
 13 PHE  HN     24 LEU  QD2     6.5 
 13 PHE  HD1    25 CYS  HA      6.5 
 13 PHE  HD1    25 CYS  HN      6.5 
 13 PHE  HE1    25 CYS  HA      6.5 
 13 PHE  HE1    25 CYS  HB1     6.5 
 13 PHE  HD1    27 TYR  HD1     6.5 
 13 PHE  HD1    27 TYR  HE1     6.5 
 13 PHE  HE1    27 TYR  HD1     6.5 
 13 PHE  HE1    27 TYR  HE1     6.5 
 13 PHE  HD1    28 TYR  HD1     6.5 
 13 PHE  HD1    28 TYR  HE1     6.5 
 13 PHE  HE1    28 TYR  HE1     6.5 
 13 PHE  HE1    30 SER  HB1     6.5 
 14 ASN  HB1    14 ASN  HA      4.0 
 14 ASN  HB2    14 ASN  HA      4.0 
 14 ASN  HB2    14 ASN  HB1     2.5 
 14 ASN  HD21   14 ASN  HA      6.5 
 14 ASN  HD21   14 ASN  HB1     5.0 
 14 ASN  HD21   14 ASN  HB2     6.5 
 14 ASN  HD22   14 ASN  HA      6.5 
 14 ASN  HD22   14 ASN  HB1     5.0 
 14 ASN  HD22   14 ASN  HB2     6.5 
 14 ASN  HD22   14 ASN  HD21    2.5 
 14 ASN  HN     14 ASN  HB1     5.0 
 14 ASN  HN     14 ASN  HB2     5.0 
 14 ASN  HN     14 ASN  HD22    6.5 
 14 ASN  HA     15 VAL  HN      2.5 
 14 ASN  HB1    15 VAL  HN      6.5 
 14 ASN  HB2    15 VAL  HN      6.5 
 14 ASN  HD22   15 VAL  HN      6.5 
 14 ASN  HN     15 VAL  HN      6.5 
 14 ASN  HB2    16 ASP  HN      6.5 
 14 ASN  HD21   16 ASP  HB1     6.5 
 14 ASN  HD21   16 ASP  HN      6.5 
 14 ASN  HD22   16 ASP  HB2     6.5 
 14 ASN  HD22   16 ASP  HN      6.5 
 14 ASN  HA     17 LYS  HE1     6.5 
 14 ASN  HB1    17 LYS  HB2     6.5 
 14 ASN  HB1    17 LYS  HG1     6.5 
 14 ASN  HB1    17 LYS  HG2     6.5 
 14 ASN  HB1    17 LYS  HN      6.5 
 14 ASN  HB2    17 LYS  HB2     6.5 
 14 ASN  HB2    17 LYS  HE2     6.5 
 14 ASN  HB2    17 LYS  HG1     6.5 
 14 ASN  HB2    17 LYS  HG2     6.5 
 14 ASN  HB2    17 LYS  HN      6.5 
 14 ASN  HD21   17 LYS  HD1     6.5 
 14 ASN  HD21   17 LYS  HE1     6.5 
 14 ASN  HD21   17 LYS  HE2     6.5 
 14 ASN  HD21   17 LYS  HG1     6.5 
 14 ASN  HD21   17 LYS  HG2     6.5 
 14 ASN  HD22   17 LYS  HE1     6.5 
 14 ASN  HD22   17 LYS  HE2     6.5 
 14 ASN  HD22   17 LYS  HG1     6.5 
 14 ASN  HD22   17 LYS  HG2     6.5 
 14 ASN  HA     20 GLN  HE22    6.5 
 14 ASN  HN     20 GLN  HA      6.5 
 14 ASN  HN     20 GLN  HE21    6.5 
 14 ASN  HN     20 GLN  HE22    6.5 
 14 ASN  HN     20 GLN  HG1     6.5 
 15 VAL  HB     15 VAL  HA      3.0 
 15 VAL  HN     15 VAL  HB      3.0 
 15 VAL  QG1    15 VAL  HA      5.0 
 15 VAL  QG1    15 VAL  HB      3.0 
 15 VAL  QG1    15 VAL  HN      5.0 
 15 VAL  QG2    15 VAL  HA      3.0 
 15 VAL  QG2    15 VAL  HB      3.0 
 15 VAL  QG2    15 VAL  HN      5.0 
 15 VAL  QG2    15 VAL  QG1     2.5 
 15 VAL  HB     16 ASP  HN      6.5 
 15 VAL  HN     16 ASP  HN      3.5 
 15 VAL  QG1    16 ASP  HN      5.0 
 15 VAL  QG2    16 ASP  HN      6.5 
 15 VAL  HA     17 LYS  HN      6.5 
 15 VAL  HN     17 LYS  HN      6.5 
 15 VAL  QG1    17 LYS  HN      6.5 
 15 VAL  QG2    17 LYS  HN      6.5 
 15 VAL  HA     20 GLN  HE21    6.5 
 15 VAL  HA     20 GLN  HE22    6.5 
 15 VAL  QG1    27 TYR  HE1     6.5 
 15 VAL  QG2    27 TYR  HD1     6.5 
 15 VAL  QG2    27 TYR  HE1     6.5 
 15 VAL  QG2    30 SER  HB2     6.5 
 16 ASP  HB1    16 ASP  HA      3.0 
 16 ASP  HB2    16 ASP  HA      3.0 
 16 ASP  HB2    16 ASP  HB1     2.5 
 16 ASP  HN     16 ASP  HB1     6.5 
 16 ASP  HN     16 ASP  HB2     4.0 
 16 ASP  HB1    17 LYS  HG2     6.5 
 16 ASP  HB1    17 LYS  HN      6.5 
 16 ASP  HB2    17 LYS  HN      6.5 
 16 ASP  HN     17 LYS  HN      3.0 
 16 ASP  HN     20 GLN  HE22    6.5 
 17 LYS  HB1    17 LYS  HA      4.0 
 17 LYS  HB2    17 LYS  HB1     2.5 
 17 LYS  HD1    17 LYS  HB1     5.0 
 17 LYS  HD2    17 LYS  HB1     6.5 
 17 LYS  HD2    17 LYS  HD1     2.5 
 17 LYS  HE1    17 LYS  HD1     5.0 
 17 LYS  HE1    17 LYS  HD2     6.5 
 17 LYS  HE2    17 LYS  HD1     5.0 
 17 LYS  HE2    17 LYS  HD2     5.0 
 17 LYS  HE2    17 LYS  HE1     2.5 
 17 LYS  HG1    17 LYS  HA      5.0 
 17 LYS  HG1    17 LYS  HB1     5.0 
 17 LYS  HG1    17 LYS  HB2     5.0 
 17 LYS  HG1    17 LYS  HD1     6.5 
 17 LYS  HG1    17 LYS  HD2     5.0 
 17 LYS  HG1    17 LYS  HE1     6.5 
 17 LYS  HG1    17 LYS  HE2     5.0 
 17 LYS  HG2    17 LYS  HA      5.0 
 17 LYS  HG2    17 LYS  HB1     5.0 
 17 LYS  HG2    17 LYS  HB2     4.0 
 17 LYS  HG2    17 LYS  HD1     5.0 
 17 LYS  HG2    17 LYS  HD2     5.0 
 17 LYS  HG2    17 LYS  HE2     6.5 
 17 LYS  HG2    17 LYS  HG1     3.0 
 17 LYS  HN     17 LYS  HB1     5.0 
 17 LYS  HN     17 LYS  HB2     5.0 
 17 LYS  HN     17 LYS  HD1     6.5 
 17 LYS  HN     17 LYS  HD2     6.5 
 17 LYS  HN     17 LYS  HG1     6.5 
 17 LYS  HN     17 LYS  HG2     6.5 
 17 LYS  HA     18 LYS  HN      2.7 
 17 LYS  HA     19 CYS  HN      6.5 
 17 LYS  HB1    19 CYS  HN      5.0 
 17 LYS  HD2    19 CYS  HN      6.5 
 17 LYS  HG1    19 CYS  HN      6.5 
 17 LYS  HG2    19 CYS  HN      6.5 
 17 LYS  HN     19 CYS  HN      6.5 
 17 LYS  HB1    20 GLN  HE22    6.5 
 17 LYS  HN     20 GLN  HE22    6.5 
 18 LYS  HB1    18 LYS  HA      3.0 
 18 LYS  HB2    18 LYS  HA      4.0 
 18 LYS  HD2    18 LYS  HA      5.0 
 18 LYS  HD2    18 LYS  HB2     3.0 
 18 LYS  HE2    18 LYS  HA      5.0 
 18 LYS  HG1    18 LYS  HA      6.5 
 18 LYS  HG1    18 LYS  HB1     4.0 
 18 LYS  HG1    18 LYS  HB2     5.0 
 18 LYS  HG1    18 LYS  HD2     5.0 
 18 LYS  HG2    18 LYS  HA      5.0 
 18 LYS  HG2    18 LYS  HB1     5.0 
 18 LYS  HG2    18 LYS  HB2     5.0 
 18 LYS  HG2    18 LYS  HD2     4.0 
 18 LYS  HG2    18 LYS  HE2     6.5 
 18 LYS  HG2    18 LYS  HG1     2.5 
 18 LYS  HN     18 LYS  HB1     5.0 
 18 LYS  HN     18 LYS  HB2     4.0 
 18 LYS  HN     18 LYS  HD2     6.5 
 18 LYS  HN     18 LYS  HG1     6.5 
 18 LYS  HN     18 LYS  HG2     6.5 
 18 LYS  HB1    19 CYS  HN      6.5 
 18 LYS  HG1    19 CYS  HN      6.5 
 18 LYS  HN     19 CYS  HN      3.5 
 18 LYS  HA     20 GLN  HE22    6.5 
 18 LYS  HD2    20 GLN  HE22    6.5 
 19 CYS  HB1    19 CYS  HA      4.0 
 19 CYS  HB2    19 CYS  HA      4.0 
 19 CYS  HB2    19 CYS  HB1     3.0 
 19 CYS  HN     19 CYS  HB1     6.5 
 19 CYS  HN     19 CYS  HB2     6.5 
 19 CYS  HA     20 GLN  HN      2.7 
 19 CYS  HB1    20 GLN  HN      5.0 
 19 CYS  HB2    20 GLN  HN      5.0 
 19 CYS  HN     20 GLN  HE22    6.5 
 19 CYS  HA     31 CYS  HB1     6.5 
 19 CYS  HA     31 CYS  HN      6.5 
 19 CYS  HA     32 CYS  HN      6.5 
 19 CYS  HB1    32 CYS  HA      6.5 
 19 CYS  HB1    32 CYS  HB1     6.5 
 19 CYS  HB1    32 CYS  HN      5.0 
 19 CYS  HB2    32 CYS  HA      6.5 
 19 CYS  HB2    32 CYS  HN      5.0 
 19 CYS  HB1    33 THR  HN      6.5 
 19 CYS  HB2    33 THR  HN      6.5 
 20 GLN  HE22   20 GLN  HA      6.5 
 20 GLN  HE22   20 GLN  HE21    2.5 
 20 GLN  HG1    20 GLN  HA      6.5 
 20 GLN  HG1    20 GLN  HB2     5.0 
 20 GLN  HG1    20 GLN  HE21    6.5 
 20 GLN  HG2    20 GLN  HA      5.0 
 20 GLN  HG2    20 GLN  HB2     3.0 
 20 GLN  HG2    20 GLN  HE21    6.5 
 20 GLN  HG2    20 GLN  HE22    6.5 
 20 GLN  HG2    20 GLN  HG1     4.0 
 20 GLN  HN     20 GLN  HB2     5.0 
 20 GLN  HN     20 GLN  HG1     5.0 
 20 GLN  HN     20 GLN  HG2     5.0 
 20 GLN  HA     21 CYS  HN      2.7 
 20 GLN  HB2    21 CYS  HN      6.5 
 20 GLN  HE22   21 CYS  HN      6.5 
 20 GLN  HG1    21 CYS  HN      6.5 
 20 GLN  HG2    21 CYS  HN      6.5 
 20 GLN  HN     21 CYS  HN      6.5 
 20 GLN  HA     22 ASP  HN      6.5 
 20 GLN  HB2    22 ASP  HN      6.5 
 20 GLN  HG2    22 ASP  HN      6.5 
 20 GLN  HB2    25 CYS  HA      6.5 
 20 GLN  HB2    25 CYS  HB1     5.0 
 20 GLN  HB2    25 CYS  HB2     5.0 
 20 GLN  HB2    25 CYS  HN      6.5 
 20 GLN  HG1    25 CYS  HA      6.5 
 20 GLN  HG2    25 CYS  HB2     6.5 
 20 GLN  HN     25 CYS  HB1     6.5 
 20 GLN  HN     25 CYS  HB2     6.5 
 20 GLN  HB2    30 SER  HB2     6.5 
 20 GLN  HE22   30 SER  HB2     5.0 
 20 GLN  HG1    30 SER  HB1     6.5 
 20 GLN  HG2    30 SER  HG      6.5 
 20 GLN  HN     30 SER  HB1     6.5 
 20 GLN  HB2    31 CYS  HA      6.5 
 20 GLN  HN     31 CYS  HA      6.5 
 20 GLN  HN     31 CYS  HB1     6.5 
 20 GLN  HN     31 CYS  HN      6.5 
 20 GLN  HA     32 CYS  HN      6.5 
 20 GLN  HG2    32 CYS  HN      6.5 
 20 GLN  HN     32 CYS  HN      6.5 
 20 GLN  HB2    35 TYR  HB2     6.5 
 20 GLN  HB2    35 TYR  HD1     6.5 
 21 CYS  HB2    21 CYS  HA      5.0 
 21 CYS  HB2    21 CYS  HB1     3.0 
 21 CYS  HN     21 CYS  HB1     5.0 
 21 CYS  HN     21 CYS  HB2     5.0 
 21 CYS  HN     22 ASP  HN      3.5 
 21 CYS  HN     25 CYS  HB1     6.5 
 21 CYS  HA     35 TYR  HA      6.5 
 21 CYS  HA     35 TYR  HD1     3.0 
 21 CYS  HB1    35 TYR  HA      6.5 
 21 CYS  HB2    35 TYR  HD1     6.5 
 21 CYS  HN     35 TYR  HD1     6.5 
 22 ASP  HB1    22 ASP  HA      4.0 
 22 ASP  HB2    22 ASP  HA      3.0 
 22 ASP  HB2    22 ASP  HB1     3.0 
 22 ASP  HN     22 ASP  HB1     6.5 
 22 ASP  HA     23 GLU  HN      2.7 
 22 ASP  HB2    23 GLU  HN      4.0 
 22 ASP  HN     23 GLU  HN      6.5 
 22 ASP  HA     24 LEU  HN      6.5 
 22 ASP  HB1    24 LEU  HN      6.5 
 22 ASP  HB2    24 LEU  HN      6.5 
 22 ASP  HB2    24 LEU  QD1     6.5 
 22 ASP  HB1    25 CYS  HN      6.5 
 22 ASP  HN     25 CYS  HB2     6.5 
 22 ASP  HN     25 CYS  HN      6.5 
 22 ASP  HA     35 TYR  HE1     6.5 
 22 ASP  HN     35 TYR  HD1     6.5 
 23 GLU  HB1    23 GLU  HA      4.0 
 23 GLU  HB2    23 GLU  HA      4.0 
 23 GLU  HG2    23 GLU  HA      5.0 
 23 GLU  HN     23 GLU  HB1     5.0 
 23 GLU  HN     23 GLU  HB2     3.0 
 23 GLU  HN     23 GLU  HG1     3.0 
 23 GLU  HN     23 GLU  HG2     3.0 
 23 GLU  HB1    24 LEU  HN      6.5 
 23 GLU  HB2    24 LEU  HN      6.5 
 23 GLU  HB2    24 LEU  QD1     6.5 
 23 GLU  HG2    24 LEU  HN      6.5 
 23 GLU  HN     24 LEU  HN      3.5 
 23 GLU  HN     24 LEU  QD1     6.5 
 23 GLU  HN     24 LEU  QD2     6.5 
 23 GLU  HA     25 CYS  HN      6.5 
 23 GLU  HB1    25 CYS  HN      6.5 
 23 GLU  HB2    25 CYS  HN      6.5 
 23 GLU  HN     25 CYS  HN      6.5 
 23 GLU  HA     26 SER  HN      6.5 
 23 GLU  HA     35 TYR  HE1     6.5 
 23 GLU  HN     35 TYR  HE1     6.5 
 24 LEU  HB1    24 LEU  HA      2.5 
 24 LEU  HB2    24 LEU  HA      4.0 
 24 LEU  HG     24 LEU  HA      5.0 
 24 LEU  HN     24 LEU  HB1     6.5 
 24 LEU  HN     24 LEU  HB2     5.0 
 24 LEU  HN     24 LEU  HG      5.0 
 24 LEU  QD1    24 LEU  HA      5.0 
 24 LEU  QD1    24 LEU  HB1     4.0 
 24 LEU  QD1    24 LEU  HB2     4.0 
 24 LEU  QD1    24 LEU  HG      3.0 
 24 LEU  QD1    24 LEU  HN      6.5 
 24 LEU  QD2    24 LEU  HA      3.0 
 24 LEU  QD2    24 LEU  HB1     5.0 
 24 LEU  QD2    24 LEU  HB2     5.0 
 24 LEU  QD2    24 LEU  HG      4.0 
 24 LEU  QD2    24 LEU  HN      6.5 
 24 LEU  QD2    24 LEU  QD1     3.0 
 24 LEU  HB1    25 CYS  HN      6.5 
 24 LEU  HB2    25 CYS  HN      6.5 
 24 LEU  HG     25 CYS  HN      6.5 
 24 LEU  HN     25 CYS  HN      3.5 
 24 LEU  QD1    25 CYS  HN      6.5 
 24 LEU  QD2    25 CYS  HN      6.5 
 24 LEU  HN     26 SER  HN      6.5 
 24 LEU  QD2    26 SER  HN      6.5 
 24 LEU  HA     27 TYR  HB2     6.5 
 24 LEU  HA     27 TYR  HD1     5.0 
 24 LEU  HA     27 TYR  HE1     6.5 
 24 LEU  HA     27 TYR  HN      6.5 
 24 LEU  HB1    27 TYR  HB1     5.0 
 24 LEU  HB1    27 TYR  HD1     6.5 
 24 LEU  HB1    27 TYR  HE1     6.5 
 24 LEU  HB1    27 TYR  HN      6.5 
 24 LEU  HB2    27 TYR  HB1     6.5 
 24 LEU  HB2    27 TYR  HD1     6.5 
 24 LEU  HB2    27 TYR  HE1     6.5 
 24 LEU  HG     27 TYR  HD1     6.5 
 24 LEU  HN     27 TYR  HD1     6.5 
 24 LEU  QD1    27 TYR  HB2     6.5 
 24 LEU  QD1    27 TYR  HD1     6.5 
 24 LEU  QD1    27 TYR  HE1     6.5 
 24 LEU  QD1    27 TYR  HN      6.5 
 24 LEU  QD2    27 TYR  HA      6.5 
 24 LEU  QD2    27 TYR  HB2     6.5 
 24 LEU  QD2    27 TYR  HD1     5.0 
 24 LEU  QD2    27 TYR  HE1     6.5 
 24 LEU  QD2    27 TYR  HN      6.5 
 24 LEU  HA     28 TYR  HD1     6.5 
 24 LEU  HA     28 TYR  HE1     6.5 
 24 LEU  HB1    28 TYR  HD1     5.0 
 24 LEU  HB1    28 TYR  HE1     5.0 
 24 LEU  HB2    28 TYR  HD1     6.5 
 24 LEU  HB2    28 TYR  HE1     5.0 
 24 LEU  HG     28 TYR  HD1     6.5 
 24 LEU  HG     28 TYR  HE1     6.5 
 24 LEU  HN     28 TYR  HD1     6.5 
 24 LEU  HN     28 TYR  HE1     6.5 
 24 LEU  QD1    28 TYR  HD1     6.5 
 24 LEU  QD1    28 TYR  HE1     4.0 
 24 LEU  QD2    28 TYR  HD1     6.5 
 24 LEU  QD2    28 TYR  HE1     6.5 
 24 LEU  QD2    28 TYR  HN      6.5 
 25 CYS  HB1    25 CYS  HA      4.0 
 25 CYS  HB2    25 CYS  HA      4.0 
 25 CYS  HB2    25 CYS  HB1     4.0 
 25 CYS  HN     25 CYS  HB1     5.0 
 25 CYS  HN     25 CYS  HB2     5.0 
 25 CYS  HB1    26 SER  HN      6.5 
 25 CYS  HB2    26 SER  HN      6.5 
 25 CYS  HN     26 SER  HN      3.5 
 25 CYS  HA     27 TYR  HN      6.5 
 25 CYS  HN     27 TYR  HN      6.5 
 25 CYS  HA     28 TYR  HB1     6.5 
 25 CYS  HA     28 TYR  HB2     6.5 
 25 CYS  HA     28 TYR  HD1     6.5 
 25 CYS  HA     28 TYR  HE1     6.5 
 25 CYS  HA     28 TYR  HN      6.5 
 25 CYS  HB2    28 TYR  HD1     6.5 
 25 CYS  HN     28 TYR  HD1     6.5 
 25 CYS  HN     28 TYR  HE1     6.5 
 25 CYS  HA     30 SER  HB2     6.5 
 25 CYS  HA     30 SER  HN      6.5 
 25 CYS  HB1    30 SER  HB2     6.5 
 25 CYS  HB1    30 SER  HN      6.5 
 25 CYS  HB2    30 SER  HB2     6.5 
 25 CYS  HB2    30 SER  HG      6.5 
 25 CYS  HB2    30 SER  HN      6.5 
 25 CYS  HA     31 CYS  HN      6.5 
 25 CYS  HB1    31 CYS  HN      6.5 
 25 CYS  HB2    31 CYS  HA      5.0 
 25 CYS  HB2    31 CYS  HN      6.5 
 25 CYS  HB1    32 CYS  HN      6.5 
 25 CYS  HB2    32 CYS  HN      6.5 
 25 CYS  HB1    35 TYR  HD1     6.5 
 25 CYS  HB1    35 TYR  HE1     6.5 
 26 SER  HB2    26 SER  HA      5.0 
 26 SER  HN     26 SER  HB1     4.0 
 26 SER  HN     26 SER  HB2     5.0 
 26 SER  HB1    27 TYR  HN      6.5 
 26 SER  HB2    27 TYR  HN      6.5 
 26 SER  HN     27 TYR  HD1     6.5 
 26 SER  HN     27 TYR  HN      3.5 
 26 SER  HA     28 TYR  HN      6.5 
 26 SER  HN     28 TYR  HN      6.5 
 26 SER  HA     29 GLN  HN      6.5 
 26 SER  HB1    29 GLN  HN      6.5 
 26 SER  HB2    29 GLN  HN      6.5 
 26 SER  HN     29 GLN  HN      6.5 
 26 SER  HA     30 SER  HN      6.5 
 26 SER  HN     30 SER  HN      6.5 
 26 SER  HA     31 CYS  HN      6.5 
 26 SER  HB2    31 CYS  HB2     6.5 
 26 SER  HN     31 CYS  HN      6.5 
 26 SER  HB1    35 TYR  HE1     6.5 
 26 SER  HN     35 TYR  HD1     6.5 
 27 TYR  HB1    27 TYR  HA      3.0 
 27 TYR  HB2    27 TYR  HA      3.0 
 27 TYR  HD1    27 TYR  HA      4.0 
 27 TYR  HD1    27 TYR  HB1     3.0 
 27 TYR  HD1    27 TYR  HB2     3.0 
 27 TYR  HE1    27 TYR  HB1     6.5 
 27 TYR  HE1    27 TYR  HB2     6.5 
 27 TYR  HE1    27 TYR  HD1     2.5 
 27 TYR  HN     27 TYR  HA      5.0 
 27 TYR  HN     27 TYR  HB1     4.0 
 27 TYR  HN     27 TYR  HB2     4.0 
 27 TYR  HN     27 TYR  HD1     5.0 
 27 TYR  HA     28 TYR  HD1     6.5 
 27 TYR  HB1    28 TYR  HN      5.0 
 27 TYR  HB2    28 TYR  HD1     6.5 
 27 TYR  HB2    28 TYR  HN      5.0 
 27 TYR  HD1    28 TYR  HA      6.5 
 27 TYR  HD1    28 TYR  HB1     6.5 
 27 TYR  HD1    28 TYR  HD1     5.0 
 27 TYR  HD1    28 TYR  HE1     5.0 
 27 TYR  HD1    28 TYR  HN      6.5 
 27 TYR  HE1    28 TYR  HA      6.5 
 27 TYR  HE1    28 TYR  HD1     6.5 
 27 TYR  HE1    28 TYR  HE1     4.0 
 27 TYR  HE1    28 TYR  HN      6.5 
 27 TYR  HN     28 TYR  HD1     6.5 
 27 TYR  HN     28 TYR  HE1     6.5 
 27 TYR  HN     28 TYR  HN      3.0 
 27 TYR  HA     29 GLN  HN      6.5 
 27 TYR  HB2    29 GLN  HN      6.5 
 27 TYR  HD1    29 GLN  HN      6.5 
 27 TYR  HN     29 GLN  HN      6.5 
 28 TYR  HB1    28 TYR  HA      5.0 
 28 TYR  HB2    28 TYR  HA      4.0 
 28 TYR  HB2    28 TYR  HB1     3.0 
 28 TYR  HD1    28 TYR  HA      4.0 
 28 TYR  HD1    28 TYR  HB1     4.0 
 28 TYR  HD1    28 TYR  HB2     4.0 
 28 TYR  HE1    28 TYR  HD1     2.5 
 28 TYR  HN     28 TYR  HA      6.5 
 28 TYR  HN     28 TYR  HB1     5.0 
 28 TYR  HN     28 TYR  HB2     5.0 
 28 TYR  HN     28 TYR  HD1     5.0 
 28 TYR  HA     29 GLN  HN      6.5 
 28 TYR  HB2    29 GLN  HN      6.5 
 28 TYR  HD1    29 GLN  HN      6.5 
 28 TYR  HN     29 GLN  HN      3.5 
 28 TYR  HA     30 SER  HN      6.5 
 28 TYR  HB1    30 SER  HB2     6.5 
 28 TYR  HB2    30 SER  HB1     6.5 
 28 TYR  HB2    30 SER  HN      6.5 
 28 TYR  HD1    30 SER  HG      6.5 
 28 TYR  HD1    30 SER  HN      6.5 
 28 TYR  HN     30 SER  HN      6.5 
 29 GLN  HB1    29 GLN  HA      2.5 
 29 GLN  HE21   29 GLN  HB1     6.5 
 29 GLN  HE22   29 GLN  HB1     6.5 
 29 GLN  HE22   29 GLN  HE21    2.5 
 29 GLN  HG2    29 GLN  HE21    6.5 
 29 GLN  HG2    29 GLN  HG1     5.0 
 29 GLN  HN     29 GLN  HB1     4.0 
 29 GLN  HN     29 GLN  HE21    6.5 
 29 GLN  HN     29 GLN  HG1     6.5 
 29 GLN  HA     30 SER  HN      5.0 
 29 GLN  HB1    30 SER  HN      5.0 
 29 GLN  HN     30 SER  HN      3.5 
 29 GLN  HA     31 CYS  HN      5.0 
 29 GLN  HB1    31 CYS  HN      6.5 
 29 GLN  HN     31 CYS  HN      6.5 
 30 SER  HB2    30 SER  HA      6.5 
 30 SER  HB2    30 SER  HB1     3.0 
 30 SER  HG     30 SER  HB1     6.5 
 30 SER  HG     30 SER  HB2     5.0 
 30 SER  HN     30 SER  HB1     6.5 
 30 SER  HN     30 SER  HB2     5.0 
 30 SER  HN     30 SER  HG      6.5 
 30 SER  HB1    31 CYS  HN      6.5 
 30 SER  HB2    31 CYS  HN      6.5 
 30 SER  HG     31 CYS  HN      6.5 
 30 SER  HN     31 CYS  HN      3.0 
 31 CYS  HB1    31 CYS  HA      4.0 
 31 CYS  HB2    31 CYS  HB1     2.5 
 31 CYS  HN     31 CYS  HA      5.0 
 31 CYS  HN     31 CYS  HB1     5.0 
 31 CYS  HN     31 CYS  HB2     4.0 
 31 CYS  HA     32 CYS  HN      2.7 
 31 CYS  HB1    35 TYR  HA      6.5 
 31 CYS  HB1    35 TYR  HB1     5.0 
 31 CYS  HB1    35 TYR  HD1     5.0 
 31 CYS  HB1    35 TYR  HE1     6.5 
 31 CYS  HB1    35 TYR  HN      6.5 
 31 CYS  HB2    35 TYR  HN      6.5 
 31 CYS  HN     35 TYR  HD1     6.5 
 31 CYS  HB1    36 THR  HN      6.5 
 32 CYS  HB1    32 CYS  HA      6.5 
 32 CYS  HB2    32 CYS  HA      6.5 
 32 CYS  HB2    32 CYS  HB1     2.5 
 32 CYS  HN     32 CYS  HB1     5.0 
 32 CYS  HN     32 CYS  HB2     5.0 
 32 CYS  HA     33 THR  HN      2.7 
 32 CYS  HB1    33 THR  HN      6.5 
 32 CYS  HB2    33 THR  HN      6.5 
 32 CYS  HB1    34 ASP  HN      5.0 
 32 CYS  HB2    34 ASP  HN      5.0 
 32 CYS  HN     34 ASP  HN      6.5 
 32 CYS  HB1    35 TYR  HN      6.5 
 32 CYS  HB2    35 TYR  HB2     6.5 
 32 CYS  HB2    35 TYR  HN      6.5 
 32 CYS  HN     35 TYR  HA      6.5 
 32 CYS  HN     35 TYR  HD1     6.5 
 32 CYS  HN     35 TYR  HN      6.5 
 33 THR  HB     33 THR  HA      6.5 
 33 THR  HN     33 THR  HB      6.5 
 33 THR  QG2    33 THR  HA      3.0 
 33 THR  QG2    33 THR  HB      2.5 
 33 THR  QG2    33 THR  HN      5.0 
 33 THR  HB     34 ASP  HN      6.5 
 33 THR  HN     34 ASP  HN      3.5 
 33 THR  QG2    34 ASP  HN      6.5 
 33 THR  HA     35 TYR  HN      6.5 
 33 THR  HN     35 TYR  HN      6.5 
 34 ASP  HB1    34 ASP  HA      6.5 
 34 ASP  HB2    34 ASP  HA      4.0 
 34 ASP  HB2    34 ASP  HB1     3.0 
 34 ASP  HN     34 ASP  HB1     5.0 
 34 ASP  HN     34 ASP  HB2     5.0 
 34 ASP  HB1    35 TYR  HN      6.5 
 34 ASP  HB2    35 TYR  HN      6.5 
 34 ASP  HN     35 TYR  HN      3.5 
 34 ASP  HA     36 THR  HN      6.5 
 34 ASP  HN     36 THR  HN      6.5 
 34 ASP  HA     37 ALA  HN      6.5 
 34 ASP  HA     37 ALA  QB      6.5 
 34 ASP  HB1    37 ALA  HN      6.5 
 34 ASP  HB2    37 ALA  HN      6.5 
 34 ASP  HN     37 ALA  HN      6.5 
 34 ASP  HA     38 GLU  HG2     6.5 
 34 ASP  HB1    38 GLU  HB1     6.5 
 34 ASP  HB1    38 GLU  HG2     6.5 
 35 TYR  HB2    35 TYR  HA      5.0 
 35 TYR  HB2    35 TYR  HB1     3.0 
 35 TYR  HD1    35 TYR  HA      4.0 
 35 TYR  HD1    35 TYR  HB1     3.0 
 35 TYR  HD1    35 TYR  HB2     3.0 
 35 TYR  HE1    35 TYR  HA      6.5 
 35 TYR  HE1    35 TYR  HD1     2.5 
 35 TYR  HN     35 TYR  HA      5.0 
 35 TYR  HN     35 TYR  HB1     4.0 
 35 TYR  HN     35 TYR  HB2     4.0 
 35 TYR  HN     35 TYR  HD1     5.0 
 35 TYR  HB1    36 THR  HN      6.5 
 35 TYR  HB2    36 THR  HN      4.0 
 35 TYR  HD1    36 THR  HA      4.0 
 35 TYR  HD1    36 THR  HB      6.5 
 35 TYR  HD1    36 THR  HN      6.5 
 35 TYR  HD1    36 THR  QG2     5.0 
 35 TYR  HN     36 THR  HN      3.5 
 35 TYR  HA     37 ALA  HN      6.5 
 35 TYR  HA     37 ALA  QB      6.5 
 35 TYR  HB1    37 ALA  HN      6.5 
 35 TYR  HB2    37 ALA  HN      6.5 
 35 TYR  HD1    37 ALA  HN      6.5 
 35 TYR  HN     37 ALA  HN      6.5 
 35 TYR  HA     38 GLU  HB1     6.5 
 35 TYR  HA     38 GLU  HB2     6.5 
 35 TYR  HA     38 GLU  HN      6.5 
 35 TYR  HD1    38 GLU  HB2     6.5 
 35 TYR  HN     38 GLU  HN      6.5 
 35 TYR  HA     39 CYS  HB1     6.5 
 35 TYR  HA     39 CYS  HB2     6.5 
 35 TYR  HA     39 CYS  HN      6.5 
 35 TYR  HD1    39 CYS  HA      6.5 
 35 TYR  HD1    39 CYS  HB1     6.5 
 35 TYR  HD1    39 CYS  HN      6.5 
 35 TYR  HE1    39 CYS  HA      6.5 
 35 TYR  HE1    39 CYS  HB2     5.0 
 35 TYR  HE1    39 CYS  HN      6.5 
 35 TYR  HB2    40 LYS  HN      6.5 
 35 TYR  HD1    40 LYS  HB2     6.5 
 35 TYR  HD1    40 LYS  HN      6.5 
 35 TYR  HE1    40 LYS  HD1     6.5 
 35 TYR  HE1    40 LYS  HG1     6.5 
 35 TYR  HE1    40 LYS  HG2     6.5 
 35 TYR  HE1    40 LYS  HN      6.5 
 35 TYR  HD1    41 PRO  HD2     6.5 
 35 TYR  HD1    41 PRO  HG1     6.5 
 35 TYR  HE1    41 PRO  HD2     6.5 
 35 TYR  HE1    41 PRO  HG2     6.5 
 36 THR  HB     36 THR  HA      5.0 
 36 THR  HN     36 THR  HA      4.0 
 36 THR  HN     36 THR  HB      4.0 
 36 THR  QG2    36 THR  HA      3.0 
 36 THR  QG2    36 THR  HB      3.0 
 36 THR  QG2    36 THR  HN      5.0 
 36 THR  HB     37 ALA  HN      4.0 
 36 THR  HN     37 ALA  HN      3.0 
 36 THR  QG2    37 ALA  HN      6.5 
 36 THR  HA     38 GLU  HN      6.5 
 36 THR  HN     38 GLU  HN      6.5 
 36 THR  QG2    38 GLU  HN      6.5 
 36 THR  HA     39 CYS  HN      6.5 
 36 THR  HA     40 LYS  HB1     5.0 
 36 THR  HA     40 LYS  HB2     6.5 
 36 THR  HA     40 LYS  HG1     6.5 
 36 THR  HA     40 LYS  HG2     6.5 
 36 THR  QG2    40 LYS  HA      6.5 
 36 THR  QG2    40 LYS  HB1     5.0 
 36 THR  QG2    40 LYS  HB2     6.5 
 36 THR  QG2    40 LYS  HD2     6.5 
 36 THR  QG2    40 LYS  HE2     6.5 
 36 THR  QG2    40 LYS  HG2     6.5 
 36 THR  QG2    40 LYS  HN      6.5 
 36 THR  QG2    41 PRO  HD1     6.5 
 36 THR  QG2    41 PRO  HD2     6.5 
 36 THR  QG2    43 VAL  QG2     6.5 
 37 ALA  HN     37 ALA  HA      4.0 
 37 ALA  QB     37 ALA  HA      2.5 
 37 ALA  QB     37 ALA  HN      3.0 
 37 ALA  HN     38 GLU  HN      3.5 
 37 ALA  QB     38 GLU  HN      4.0 
 37 ALA  HA     39 CYS  HN      6.5 
 37 ALA  HN     39 CYS  HN      6.5 
 37 ALA  QB     39 CYS  HN      6.5 
 37 ALA  HA     40 LYS  HD1     6.5 
 37 ALA  HA     40 LYS  HN      6.5 
 37 ALA  HN     40 LYS  HN      6.5 
 37 ALA  QB     40 LYS  HN      6.5 
 38 GLU  HB1    38 GLU  HA      3.0 
 38 GLU  HB2    38 GLU  HA      4.0 
 38 GLU  HB2    38 GLU  HB1     2.5 
 38 GLU  HG2    38 GLU  HA      4.0 
 38 GLU  HG2    38 GLU  HB2     4.0 
 38 GLU  HN     38 GLU  HA      6.5 
 38 GLU  HN     38 GLU  HB2     5.0 
 38 GLU  HN     38 GLU  HG2     5.0 
 38 GLU  HB1    39 CYS  HN      5.0 
 38 GLU  HB2    39 CYS  HN      5.0 
 38 GLU  HN     39 CYS  HN      3.5 
 38 GLU  HA     40 LYS  HN      6.5 
 38 GLU  HB2    40 LYS  HN      6.5 
 38 GLU  HN     40 LYS  HN      6.5 
 39 CYS  HB1    39 CYS  HA      3.5 
 39 CYS  HB2    39 CYS  HA      4.0 
 39 CYS  HB2    39 CYS  HB1     2.5 
 39 CYS  HN     39 CYS  HB1     4.0 
 39 CYS  HN     39 CYS  HB2     5.0 
 39 CYS  HB1    40 LYS  HN      5.0 
 39 CYS  HB2    40 LYS  HN      6.5 
 39 CYS  HN     40 LYS  HN      3.0 
 39 CYS  HA     41 PRO  HD1     6.5 
 39 CYS  HA     41 PRO  HD2     6.5 
 39 CYS  HN     41 PRO  HD2     6.5 
 40 LYS  HB1    40 LYS  HA      4.0 
 40 LYS  HB2    40 LYS  HA      3.0 
 40 LYS  HD2    40 LYS  HA      6.5 
 40 LYS  HE2    40 LYS  HB1     6.5 
 40 LYS  HG1    40 LYS  HA      5.0 
 40 LYS  HG1    40 LYS  HB1     5.0 
 40 LYS  HG1    40 LYS  HB2     5.0 
 40 LYS  HG2    40 LYS  HA      6.5 
 40 LYS  HG2    40 LYS  HB1     5.0 
 40 LYS  HG2    40 LYS  HB2     4.0 
 40 LYS  HG2    40 LYS  HE2     6.5 
 40 LYS  HG2    40 LYS  HG1     3.0 
 40 LYS  HN     40 LYS  HB1     5.0 
 40 LYS  HN     40 LYS  HB2     5.0 
 40 LYS  HN     40 LYS  HD2     6.5 
 40 LYS  HN     40 LYS  HE2     6.5 
 40 LYS  HN     40 LYS  HG1     6.5 
 40 LYS  HN     40 LYS  HG2     6.5 
 40 LYS  HA     41 PRO  HD1     3.5 
 40 LYS  HA     41 PRO  HD2     3.5 
 40 LYS  HB1    41 PRO  HD1     6.5 
 40 LYS  HB1    41 PRO  HD2     6.5 
 40 LYS  HB2    41 PRO  HD1     6.5 
 40 LYS  HB2    41 PRO  HD2     6.5 
 40 LYS  HG1    41 PRO  HD1     6.5 
 40 LYS  HG1    41 PRO  HD2     6.5 
 40 LYS  HN     41 PRO  HG1     6.5 
 40 LYS  HA     42 GLN  HN      6.5 
 40 LYS  HB1    43 VAL  QG2     6.5 
 41 PRO  HB2    41 PRO  HA      6.5 
 41 PRO  HB2    41 PRO  HB1     5.0 
 41 PRO  HD1    41 PRO  HA      6.5 
 41 PRO  HD2    41 PRO  HD1     6.5 
 41 PRO  HG1    41 PRO  HA      6.5 
 41 PRO  HG1    41 PRO  HD1     6.5 
 41 PRO  HG1    41 PRO  HD2     6.5 
 41 PRO  HG2    41 PRO  HG1     6.5 
 41 PRO  HA     42 GLN  HN      2.7 
 41 PRO  HB1    42 GLN  HN      6.5 
 41 PRO  HD2    42 GLN  HN      6.5 
 41 PRO  HG1    42 GLN  HN      6.5 
 42 GLN  HB1    42 GLN  HA      6.5 
 42 GLN  HB2    42 GLN  HA      6.5 
 42 GLN  HB2    42 GLN  HB1     6.5 
 42 GLN  HE22   42 GLN  HE21    6.5 
 42 GLN  HG2    42 GLN  HA      6.5 
 42 GLN  HG2    42 GLN  HB1     6.5 
 42 GLN  HG2    42 GLN  HB2     6.5 
 42 GLN  HG2    42 GLN  HE21    6.5 
 42 GLN  HG2    42 GLN  HE22    6.5 
 42 GLN  HN     42 GLN  HB1     6.5 
 42 GLN  HN     42 GLN  HB2     6.5 
 42 GLN  HN     42 GLN  HG2     6.5 
 42 GLN  HA     43 VAL  HN      2.7 
 42 GLN  HB1    43 VAL  HN      6.5 
 42 GLN  HG2    43 VAL  HN      6.5 
 42 GLN  HN     43 VAL  HN      6.5 
 42 GLN  HA     44 THR  HN      6.5 
 42 GLN  HE21   51 MET  HA      6.5 
 43 VAL  HB     43 VAL  HA      6.5 
 43 VAL  HA     44 THR  HN      2.7 
 43 VAL  HB     44 THR  QG2     6.5 
 43 VAL  HN     44 THR  HN      6.5 
 44 THR  HB     44 THR  HA      6.5 
 44 THR  QG2    44 THR  HA      6.5 
 44 THR  QG2    44 THR  HB      6.5 
 44 THR  QG2    44 THR  HN      6.5 
 44 THR  HA     45 ARG  HN      2.7 
 44 THR  HN     45 ARG  HN      6.5 
 44 THR  QG2    45 ARG  HN      6.5 
 45 ARG  HB1    45 ARG  HA      6.5 
 45 ARG  HD2    45 ARG  HB1     6.5 
 45 ARG  HD2    45 ARG  HB2     6.5 
 45 ARG  HG1    45 ARG  HA      6.5 
 45 ARG  HG1    45 ARG  HD2     6.5 
 45 ARG  HG2    45 ARG  HA      6.5 
 45 ARG  HG2    45 ARG  HD2     6.5 
 45 ARG  HG2    45 ARG  HG1     6.5 
 45 ARG  HB1    47 ASP  HN      6.5 
 45 ARG  HB2    47 ASP  HN      6.5 
 45 ARG  HE     47 ASP  HB1     6.5 
 45 ARG  HB1    48 VAL  HN      6.5 
 46 GLY  HA1    47 ASP  HN      6.5 
 46 GLY  HA2    47 ASP  HN      4.5 
 46 GLY  HN     47 ASP  HN      6.5 
 47 ASP  HB2    47 ASP  HA      6.5 
 47 ASP  HN     47 ASP  HB2     6.5 
 47 ASP  HA     48 VAL  HN      3.0 
 47 ASP  HB2    48 VAL  HN      6.5 
 47 ASP  HN     48 VAL  HN      6.5 
 48 VAL  HB     48 VAL  HA      6.5 
 48 VAL  HN     48 VAL  HB      6.5 
 48 VAL  HA     49 PHE  HN      2.7 
 48 VAL  HB     49 PHE  HN      6.5 
 48 VAL  HN     49 PHE  HN      6.5 
 48 VAL  QG2    49 PHE  HN      6.5 
 49 PHE  HB2    49 PHE  HB1     6.5 
 49 PHE  HD1    49 PHE  HA      6.5 
 49 PHE  HD1    49 PHE  HB1     6.5 
 49 PHE  HD1    49 PHE  HB2     6.5 
 49 PHE  HE1    49 PHE  HB1     6.5 
 49 PHE  HE1    49 PHE  HB2     6.5 
 49 PHE  HE1    49 PHE  HD1     6.5 
 49 PHE  HN     49 PHE  HB1     6.5 
 49 PHE  HN     49 PHE  HB2     6.5 
 49 PHE  HN     49 PHE  HD1     6.5 
 49 PHE  HZ     49 PHE  HE1     6.5 
 49 PHE  HA     50 THR  HN      4.5 
 49 PHE  HB1    50 THR  HN      6.5 
 49 PHE  HD1    50 THR  HN      6.5 
 49 PHE  HN     50 THR  HN      6.5 
 50 THR  HN     50 THR  HB      6.5 
 50 THR  QG2    50 THR  HA      6.5 
 50 THR  QG2    50 THR  HB      6.5 
 50 THR  QG2    50 THR  HN      6.5 
 50 THR  HA     51 MET  HN      6.5 
 51 MET  HB1    51 MET  HA      6.5 
 51 MET  HG2    51 MET  HB1     6.5 
 51 MET  HG2    51 MET  HG1     6.5 

#dihedral angle restraints

  2 GLN PHI   -170    -70      
  3 GLU PHI   -170    -70
  4 SER PHI   -170    -70
  5 CYS PHI   -120    -20
  6 LYS PHI   -170    -70
  8 ARG PHI   -180      0
  9 CYS PHI   -180      0
 11 GLU PHI   -180      0
 13 PHE PHI   -170    -70
 14 ASN PHI   -170    -70
 15 VAL PHI   -120    -20
 16 ASP PHI   -120    -20
 17 LYS PHI   -170    -70
 18 LYS PHI   -120    -20
 19 CYS PHI   -180      0
 20 GLN PHI   -180      0
 21 CYS PHI   -180      0
 22 ASP PHI   -170    -70
 23 GLU PHI   -120    -20
 24 LEU PHI   -120    -20
 25 CYS PHI   -120    -20
 26 SER PHI   -120    -20
 27 TYR PHI   -120    -20
 28 TYR PHI   -120    -20
 29 GLN PHI      0    120
 30 SER PHI   -180      0
 31 CYS PHI   -180      0
 32 CYS PHI   -180      0
 33 THR PHI   -180      0
 34 ASP PHI   -180      0
 35 TYR PHI   -120    -20
 36 THR PHI   -120    -20
 37 ALA PHI   -120    -20
 38 GLU PHI   -120    -20
 39 CYS PHI   -120    -20
 40 LYS PHI   -180      0
 42 GLN PHI   -180      0
 43 VAL PHI   -180      0
 44 THR PHI   -180      0
 45 ARG PHI   -180      0
 47 ASP PHI   -180      0
 48 VAL PHI   -180      0
 49 PHE PHI   -180      0
 50 THR PHI   -180      0

  2 GLN PSI     80    180
  3 GLU PSI     80    180
  4 SER PSI     80    180
  5 CYS PSI    -80     20
  6 LYS PSI     80    180
 13 PHE PSI     80    180
 14 ASN PSI     80    180
 15 VAL PSI    -80     20
 16 ASP PSI    -80     20
 17 LYS PSI     80    180
 18 LYS PSI    -80     20
 22 ASP PSI     80    180
 23 GLU PSI    -80     20
 24 LEU PSI    -80     20
 25 CYS PSI    -80     20
 26 SER PSI    -80     20
 27 TYR PSI    -80     20
 28 TYR PSI    -80     20
 29 GLN PSI      0     60
 35 TYR PSI    -80     20
 36 THR PSI    -80     20
 37 ALA PSI    -80     20
 38 GLU PSI    -80     20
 39 CYS PSI    -80     20



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1H        ASP   1  -0.635   1.798 -20.985
    2   2H    ASP   1          2H        ASP   1  -1.556   0.582 -20.387
    3   3H    ASP   1          3H        ASP   1  -1.725   2.098 -19.797
    4    HA   ASP   1           HA       ASP   1   0.663   0.402 -19.515
    5   1HB   ASP   1          2HB       ASP   1   1.187   2.826 -19.737
    6   2HB   ASP   1          3HB       ASP   1   0.128   3.168 -18.356
    7    H    GLN   2           H        GLN   2   0.913  -0.674 -17.557
    8    HA   GLN   2           HA       GLN   2  -1.098  -0.443 -15.424
    9   1HB   GLN   2          2HB       GLN   2  -2.107  -1.910 -17.200
   10   2HB   GLN   2          3HB       GLN   2  -0.755  -3.031 -17.014
   11   1HG   GLN   2          2HG       GLN   2  -1.425  -3.479 -14.686
   12   2HG   GLN   2          3HG       GLN   2  -2.706  -2.264 -14.788
   13   1HE2  GLN   2          2HE2      GLN   2  -3.149  -4.994 -14.036
   14   2HE2  GLN   2          1HE2      GLN   2  -4.135  -5.720 -15.308
   15    H    GLU   3           H        GLU   3  -0.493  -1.650 -13.513
   16    HA   GLU   3           HA       GLU   3   2.214  -2.857 -13.405
   17   1HB   GLU   3          2HB       GLU   3   2.918  -1.549 -11.536
   18   2HB   GLU   3          3HB       GLU   3   2.499  -0.457 -12.860
   19   1HG   GLU   3          2HG       GLU   3   0.329   0.051 -11.773
   20   2HG   GLU   3          3HG       GLU   3   0.707  -1.071 -10.462
   21    H    SER   4           H        SER   4   2.589  -3.613 -11.025
   22    HA   SER   4           HA       SER   4   0.199  -4.761  -9.722
   23   1HB   SER   4          2HB       SER   4   1.010  -7.036  -9.800
   24   2HB   SER   4          3HB       SER   4   0.877  -6.433 -11.463
   25    HG   SER   4           HG       SER   4   3.137  -6.019 -11.415
   26    H    CYS   5           H        CYS   5   1.008  -6.106  -7.713
   27    HA   CYS   5           HA       CYS   5   2.446  -4.381  -6.036
   28   1HB   CYS   5          2HB       CYS   5   0.754  -6.189  -5.495
   29   2HB   CYS   5          3HB       CYS   5   2.088  -7.359  -5.564
   30    H    LYS   6           H        LYS   6   3.996  -6.349  -8.379
   31    HA   LYS   6           HA       LYS   6   6.103  -7.445  -6.764
   32   1HB   LYS   6          2HB       LYS   6   5.896  -7.000  -9.760
   33   2HB   LYS   6          3HB       LYS   6   7.235  -7.859  -8.963
   34   1HG   LYS   6          2HG       LYS   6   5.559  -9.408  -7.906
   35   2HG   LYS   6          3HG       LYS   6   4.287  -8.656  -8.883
   36   1HD   LYS   6          2HD       LYS   6   6.754 -10.085  -9.937
   37   2HD   LYS   6          3HD       LYS   6   5.151 -10.788  -9.820
   38   1HE   LYS   6          2HE       LYS   6   5.905  -8.392 -11.562
   39   2HE   LYS   6          3HE       LYS   6   5.763 -10.058 -12.122
   40   1HZ   LYS   6          1HZ       LYS   6   3.399  -9.991 -11.414
   41   2HZ   LYS   6          2HZ       LYS   6   3.543  -8.392 -11.058
   42   3HZ   LYS   6          3HZ       LYS   6   3.729  -8.909 -12.589
   43    H    GLY   7           H        GLY   7   7.344  -6.276  -5.613
   44   1HA   GLY   7          2HA       GLY   7   9.320  -4.934  -5.304
   45   2HA   GLY   7          3HA       GLY   7   8.869  -3.938  -6.696
   46    H    ARG   8           H        ARG   8   6.113  -4.478  -4.782
   47    HA   ARG   8           HA       ARG   8   6.403  -1.832  -3.369
   48   1HB   ARG   8          2HB       ARG   8   3.966  -2.893  -4.861
   49   2HB   ARG   8          3HB       ARG   8   4.136  -1.343  -4.050
   50   1HG   ARG   8          2HG       ARG   8   6.085  -0.879  -5.706
   51   2HG   ARG   8          3HG       ARG   8   5.474  -2.284  -6.601
   52   1HD   ARG   8          2HD       ARG   8   4.510  -0.315  -7.555
   53   2HD   ARG   8          3HD       ARG   8   3.211  -1.169  -6.694
   54    HE   ARG   8           HE       ARG   8   4.090   0.538  -4.757
   55   1HH1  ARG   8          2HH2      ARG   8   3.151   1.360  -8.070
   56   2HH1  ARG   8          1HH2      ARG   8   3.025   3.046  -7.644
   57   1HH2  ARG   8          1HH1      ARG   8   3.785   2.458  -4.297
   58   2HH2  ARG   8          2HH1      ARG   8   3.331   3.690  -5.484
   59    H    CYS   9           H        CYS   9   5.077  -5.065  -3.064
   60    HA   CYS   9           HA       CYS   9   3.039  -4.682  -1.326
   61   1HB   CYS   9          2HB       CYS   9   4.965  -6.997  -1.021
   62   2HB   CYS   9          3HB       CYS   9   3.229  -6.962  -0.690
   63    H    THR  10           H        THR  10   2.705  -3.765   0.504
   64    HA   THR  10           HA       THR  10   2.918  -2.717   2.434
   65    HB   THR  10           HB       THR  10   4.779  -4.862   3.457
   66    HG1  THR  10           1HG      THR  10   2.908  -5.691   2.322
   67   1HG2  THR  10          1HG2      THR  10   2.514  -3.256   4.741
   68   2HG2  THR  10          2HG2      THR  10   3.441  -4.547   5.533
   69   3HG2  THR  10          3HG2      THR  10   4.245  -3.041   5.082
   70    H    GLU  11           H        GLU  11   4.495  -1.653   0.435
   71    HA   GLU  11           HA       GLU  11   7.116  -0.926   1.285
   72   1HB   GLU  11          2HB       GLU  11   6.935   0.932  -0.274
   73   2HB   GLU  11          3HB       GLU  11   6.434  -0.579  -1.005
   74   1HG   GLU  11          2HG       GLU  11   4.050   0.081  -0.794
   75   2HG   GLU  11          3HG       GLU  11   4.520   1.545   0.071
   76    H    GLY  12           H        GLY  12   4.091   0.204   2.512
   77   1HA   GLY  12          2HA       GLY  12   3.908   1.463   4.552
   78   2HA   GLY  12          3HA       GLY  12   5.412   2.313   4.185
   79    H    PHE  13           H        PHE  13   2.918   3.495   4.909
   80    HA   PHE  13           HA       PHE  13   1.346   4.355   2.684
   81   1HB   PHE  13          2HB       PHE  13   0.425   4.180   4.871
   82   2HB   PHE  13          3HB       PHE  13   1.643   5.264   5.559
   83    HD1  PHE  13           1HD      PHE  13  -1.071   5.212   2.930
   84    HD2  PHE  13           2HD      PHE  13   1.041   7.488   5.936
   85    HE1  PHE  13           1HE      PHE  13  -2.668   7.091   2.643
   86    HE2  PHE  13           2HE      PHE  13  -0.561   9.361   5.645
   87    HZ   PHE  13           HZ       PHE  13  -2.416   9.158   4.016
   88    H    ASN  14           H        ASN  14   1.414   5.999   1.358
   89    HA   ASN  14           HA       ASN  14   2.452   8.593   2.019
   90   1HB   ASN  14          2HB       ASN  14   4.604   7.537   1.364
   91   2HB   ASN  14          3HB       ASN  14   3.915   7.084  -0.202
   92   1HD2  ASN  14          2HD2      ASN  14   6.225   8.583  -0.156
   93   2HD2  ASN  14          1HD2      ASN  14   5.846  10.228  -0.663
   94    H    VAL  15           H        VAL  15   0.300   9.112   1.639
   95    HA   VAL  15           HA       VAL  15  -1.320   8.135  -0.370
   96    HB   VAL  15           HB       VAL  15  -1.854   9.296   1.790
   97   1HG1  VAL  15          1HG1      VAL  15  -2.087  11.789   0.116
   98   2HG1  VAL  15          2HG1      VAL  15  -2.558  11.555   1.817
   99   3HG1  VAL  15          3HG1      VAL  15  -0.849  11.479   1.364
  100   1HG2  VAL  15          1HG2      VAL  15  -4.123   9.732   1.171
  101   2HG2  VAL  15          2HG2      VAL  15  -3.682   9.807  -0.549
  102   3HG2  VAL  15          3HG2      VAL  15  -3.516   8.283   0.362
  103    H    ASP  16           H        ASP  16   1.098  10.453  -1.002
  104    HA   ASP  16           HA       ASP  16  -0.091  11.685  -3.348
  105   1HB   ASP  16          2HB       ASP  16   1.831  12.603  -2.050
  106   2HB   ASP  16          3HB       ASP  16   2.820  11.248  -2.619
  107    H    LYS  17           H        LYS  17   1.460   8.561  -2.763
  108    HA   LYS  17           HA       LYS  17   2.206   8.028  -5.518
  109   1HB   LYS  17          2HB       LYS  17   1.861   6.124  -3.154
  110   2HB   LYS  17          3HB       LYS  17   2.544   5.704  -4.732
  111   1HG   LYS  17          2HG       LYS  17   4.295   7.528  -4.346
  112   2HG   LYS  17          3HG       LYS  17   3.710   7.608  -2.667
  113   1HD   LYS  17          2HD       LYS  17   4.153   5.126  -2.464
  114   2HD   LYS  17          3HD       LYS  17   4.818   5.161  -4.115
  115   1HE   LYS  17          2HE       LYS  17   6.451   6.956  -3.272
  116   2HE   LYS  17          3HE       LYS  17   5.891   6.545  -1.636
  117   1HZ   LYS  17          1HZ       LYS  17   7.254   4.744  -3.557
  118   2HZ   LYS  17          2HZ       LYS  17   7.800   5.202  -2.088
  119   3HZ   LYS  17          3HZ       LYS  17   6.518   4.174  -2.227
  120    H    LYS  18           H        LYS  18   1.337   6.693  -7.024
  121    HA   LYS  18           HA       LYS  18  -1.475   6.640  -7.343
  122   1HB   LYS  18          2HB       LYS  18   0.203   6.746  -9.156
  123   2HB   LYS  18          3HB       LYS  18   0.663   5.072  -8.831
  124   1HG   LYS  18          2HG       LYS  18  -0.742   5.208 -10.800
  125   2HG   LYS  18          3HG       LYS  18  -1.615   4.337  -9.532
  126   1HD   LYS  18          2HD       LYS  18  -2.845   6.463  -8.985
  127   2HD   LYS  18          3HD       LYS  18  -1.986   7.271 -10.312
  128   1HE   LYS  18          2HE       LYS  18  -2.934   5.605 -11.912
  129   2HE   LYS  18          3HE       LYS  18  -3.814   4.839 -10.583
  130   1HZ   LYS  18          1HZ       LYS  18  -5.016   6.940 -10.262
  131   2HZ   LYS  18          2HZ       LYS  18  -4.204   7.643 -11.494
  132   3HZ   LYS  18          3HZ       LYS  18  -5.224   6.405 -11.789
  133    H    CYS  19           H        CYS  19   0.524   4.254  -5.792
  134    HA   CYS  19           HA       CYS  19  -1.959   2.716  -5.188
  135   1HB   CYS  19          2HB       CYS  19  -0.701   1.249  -6.689
  136   2HB   CYS  19          3HB       CYS  19   0.765   1.475  -5.727
  137    H    GLN  20           H        GLN  20  -2.381   2.799  -3.132
  138    HA   GLN  20           HA       GLN  20  -0.250   3.132  -1.086
  139   1HB   GLN  20          2HB       GLN  20  -3.267   2.809  -0.861
  140   2HB   GLN  20          3HB       GLN  20  -2.159   3.114   0.491
  141   1HG   GLN  20          2HG       GLN  20  -2.854   4.993  -1.780
  142   2HG   GLN  20          3HG       GLN  20  -3.074   5.239  -0.039
  143   1HE2  GLN  20          2HE2      GLN  20  -1.101   6.123  -2.681
  144   2HE2  GLN  20          1HE2      GLN  20   0.271   6.621  -1.687
  145    H    CYS  21           H        CYS  21   0.754   1.216  -2.011
  146    HA   CYS  21           HA       CYS  21  -0.481  -1.422  -1.747
  147   1HB   CYS  21          2HB       CYS  21   2.244  -0.312  -2.521
  148   2HB   CYS  21          3HB       CYS  21   1.953  -2.040  -2.395
  149    H    ASP  22           H        ASP  22  -0.797  -0.331   0.677
  150    HA   ASP  22           HA       ASP  22   1.042  -1.684   2.555
  151   1HB   ASP  22          2HB       ASP  22   1.629   0.382   3.678
  152   2HB   ASP  22          3HB       ASP  22   2.036   0.547   1.969
  153    H    GLU  23           H        GLU  23   0.461  -0.845   4.861
  154    HA   GLU  23           HA       GLU  23  -1.875  -2.191   5.603
  155   1HB   GLU  23          2HB       GLU  23  -0.262  -0.228   7.273
  156   2HB   GLU  23          3HB       GLU  23  -1.255  -1.567   7.857
  157   1HG   GLU  23          2HG       GLU  23   0.304  -3.160   6.675
  158   2HG   GLU  23          3HG       GLU  23   1.342  -1.786   6.267
  159    H    LEU  24           H        LEU  24  -1.713   1.236   4.806
  160    HA   LEU  24           HA       LEU  24  -4.155   1.824   6.464
  161   1HB   LEU  24          2HB       LEU  24  -2.016   3.659   5.336
  162   2HB   LEU  24          3HB       LEU  24  -3.418   4.173   6.267
  163    HG   LEU  24           HG       LEU  24  -1.135   2.441   7.302
  164   1HD1  LEU  24          1HD1      LEU  24  -2.027   5.269   8.008
  165   2HD1  LEU  24          2HD1      LEU  24  -0.664   4.380   8.726
  166   3HD1  LEU  24          3HD1      LEU  24  -0.615   4.849   7.022
  167   1HD2  LEU  24          1HD2      LEU  24  -3.655   3.441   8.705
  168   2HD2  LEU  24          2HD2      LEU  24  -3.184   1.746   8.443
  169   3HD2  LEU  24          3HD2      LEU  24  -2.237   2.756   9.533
  170    H    CYS  25           H        CYS  25  -3.594   0.996   3.324
  171    HA   CYS  25           HA       CYS  25  -4.742   3.075   1.850
  172   1HB   CYS  25          2HB       CYS  25  -4.822   1.571   0.070
  173   2HB   CYS  25          3HB       CYS  25  -3.434   1.103   1.070
  174    H    SER  26           H        SER  26  -6.550   0.543   3.601
  175    HA   SER  26           HA       SER  26  -9.003   0.747   2.156
  176   1HB   SER  26          2HB       SER  26  -9.989  -0.327   4.177
  177   2HB   SER  26          3HB       SER  26  -8.543  -1.147   3.563
  178    HG   SER  26           HG       SER  26  -8.492  -0.883   5.853
  179    H    TYR  27           H        TYR  27  -7.748   2.584   4.872
  180    HA   TYR  27           HA       TYR  27 -10.050   4.212   5.436
  181   1HB   TYR  27          2HB       TYR  27  -8.431   3.869   7.096
  182   2HB   TYR  27          3HB       TYR  27  -7.102   4.228   6.027
  183    HD1  TYR  27           1HD      TYR  27  -5.874   6.000   6.685
  184    HD2  TYR  27           2HD      TYR  27 -10.155   6.161   7.193
  185    HE1  TYR  27           1HE      TYR  27  -5.668   8.296   7.592
  186    HE2  TYR  27           2HE      TYR  27  -9.952   8.463   8.124
  187    HH   TYR  27           HH       TYR  27  -8.538  10.182   8.674
  188    H    TYR  28           H        TYR  28  -7.841   4.304   2.761
  189    HA   TYR  28           HA       TYR  28  -8.790   7.044   1.991
  190   1HB   TYR  28          2HB       TYR  28  -6.165   5.625   1.468
  191   2HB   TYR  28          3HB       TYR  28  -6.666   7.100   0.635
  192    HD1  TYR  28           1HD      TYR  28  -7.186   9.193   1.951
  193    HD2  TYR  28           2HD      TYR  28  -5.120   5.793   3.624
  194    HE1  TYR  28           1HE      TYR  28  -6.235  10.651   3.730
  195    HE2  TYR  28           2HE      TYR  28  -4.159   7.252   5.392
  196    HH   TYR  28           HH       TYR  28  -4.877  10.770   5.568
  197    H    GLN  29           H        GLN  29  -9.052   3.773   1.027
  198    HA   GLN  29           HA       GLN  29  -9.746   2.702  -0.825
  199   1HB   GLN  29          2HB       GLN  29 -11.278   5.286  -1.289
  200   2HB   GLN  29          3HB       GLN  29 -11.583   3.769  -2.127
  201   1HG   GLN  29          2HG       GLN  29 -11.797   4.109   0.897
  202   2HG   GLN  29          3HG       GLN  29 -13.147   4.208  -0.236
  203   1HE2  GLN  29          1HE2      GLN  29 -11.536   2.053   1.822
  204   2HE2  GLN  29          2HE2      GLN  29 -12.115   0.570   1.053
  205    H    SER  30           H        SER  30  -7.224   3.775  -1.068
  206    HA   SER  30           HA       SER  30  -6.897   4.396  -3.978
  207   1HB   SER  30          2HB       SER  30  -4.946   5.787  -3.184
  208   2HB   SER  30          3HB       SER  30  -6.539   6.368  -2.655
  209    HG   SER  30           HG       SER  30  -5.088   6.364  -0.934
  210    H    CYS  31           H        CYS  31  -6.778   1.792  -2.523
  211    HA   CYS  31           HA       CYS  31  -4.027   0.928  -2.305
  212   1HB   CYS  31          2HB       CYS  31  -6.472   0.155  -1.278
  213   2HB   CYS  31          3HB       CYS  31  -6.233  -1.068  -2.530
  214    H    CYS  32           H        CYS  32  -3.124  -1.005  -3.456
  215    HA   CYS  32           HA       CYS  32  -3.220  -1.068  -6.248
  216   1HB   CYS  32          2HB       CYS  32  -2.652  -3.674  -5.739
  217   2HB   CYS  32          3HB       CYS  32  -1.481  -2.376  -5.661
  218    H    THR  33           H        THR  33  -4.179  -2.373  -7.772
  219    HA   THR  33           HA       THR  33  -6.976  -2.570  -7.638
  220    HB   THR  33           HB       THR  33  -6.765  -3.883  -9.792
  221    HG1  THR  33           1HG      THR  33  -4.681  -4.071 -10.623
  222   1HG2  THR  33          1HG2      THR  33  -6.843  -1.405  -9.770
  223   2HG2  THR  33          2HG2      THR  33  -5.073  -1.348  -9.615
  224   3HG2  THR  33          3HG2      THR  33  -5.823  -2.028 -11.076
  225    H    ASP  34           H        ASP  34  -4.743  -5.009  -6.583
  226    HA   ASP  34           HA       ASP  34  -7.030  -6.702  -5.784
  227   1HB   ASP  34          2HB       ASP  34  -6.127  -7.468  -8.023
  228   2HB   ASP  34          3HB       ASP  34  -4.616  -7.872  -7.201
  229    H    TYR  35           H        TYR  35  -5.530  -4.923  -4.217
  230    HA   TYR  35           HA       TYR  35  -3.355  -5.633  -2.810
  231   1HB   TYR  35          2HB       TYR  35  -4.534  -3.585  -2.275
  232   2HB   TYR  35          3HB       TYR  35  -5.966  -4.486  -1.779
  233    HD1  TYR  35           1HD      TYR  35  -2.564  -3.412  -0.742
  234    HD2  TYR  35           2HD      TYR  35  -6.179  -5.461   0.436
  235    HE1  TYR  35           1HE      TYR  35  -1.830  -3.344   1.617
  236    HE2  TYR  35           2HE      TYR  35  -5.458  -5.337   2.815
  237    HH   TYR  35           HH       TYR  35  -2.430  -3.701   3.786
  238    H    THR  36           H        THR  36  -6.570  -6.955  -1.832
  239    HA   THR  36           HA       THR  36  -5.550  -8.351   0.375
  240    HB   THR  36           HB       THR  36  -8.044  -9.352  -0.971
  241    HG1  THR  36           1HG      THR  36  -9.149  -7.536  -0.247
  242   1HG2  THR  36          1HG2      THR  36  -7.334  -8.508   1.885
  243   2HG2  THR  36          2HG2      THR  36  -8.905  -9.168   1.368
  244   3HG2  THR  36          3HG2      THR  36  -7.458 -10.180   1.294
  245    H    ALA  37           H        ALA  37  -5.165  -9.272  -2.889
  246    HA   ALA  37           HA       ALA  37  -4.297 -12.001  -2.026
  247   1HB   ALA  37          1HB       ALA  37  -5.425 -11.177  -4.719
  248   2HB   ALA  37          2HB       ALA  37  -4.873 -12.800  -4.259
  249   3HB   ALA  37          3HB       ALA  37  -6.293 -12.092  -3.466
  250    H    GLU  38           H        GLU  38  -3.228  -8.999  -3.415
  251    HA   GLU  38           HA       GLU  38  -0.669 -10.305  -4.305
  252   1HB   GLU  38          2HB       GLU  38  -1.877  -7.652  -5.161
  253   2HB   GLU  38          3HB       GLU  38  -0.324  -8.339  -5.680
  254   1HG   GLU  38          2HG       GLU  38  -1.639 -10.352  -6.531
  255   2HG   GLU  38          3HG       GLU  38  -3.094  -9.390  -6.306
  256    H    CYS  39           H        CYS  39  -1.877  -7.611  -2.254
  257    HA   CYS  39           HA       CYS  39   0.958  -6.904  -1.621
  258   1HB   CYS  39          2HB       CYS  39  -1.246  -4.967  -1.264
  259   2HB   CYS  39          3HB       CYS  39   0.426  -4.651  -1.662
  260    H    LYS  40           H        LYS  40  -1.796  -8.200  -0.306
  261    HA   LYS  40           HA       LYS  40  -2.194  -7.286   2.194
  262   1HB   LYS  40          2HB       LYS  40  -3.367  -9.102   1.084
  263   2HB   LYS  40          3HB       LYS  40  -1.995 -10.186   1.350
  264   1HG   LYS  40          2HG       LYS  40  -2.340 -10.133   3.761
  265   2HG   LYS  40          3HG       LYS  40  -3.498  -8.793   3.613
  266   1HD   LYS  40          2HD       LYS  40  -4.714 -10.866   4.000
  267   2HD   LYS  40          3HD       LYS  40  -5.059 -10.237   2.388
  268   1HE   LYS  40          2HE       LYS  40  -3.168 -11.858   1.579
  269   2HE   LYS  40          3HE       LYS  40  -3.322 -12.614   3.169
  270   1HZ   LYS  40          1HZ       LYS  40  -4.746 -13.704   1.542
  271   2HZ   LYS  40          2HZ       LYS  40  -5.716 -12.950   2.622
  272   3HZ   LYS  40          3HZ       LYS  40  -5.463 -12.292   1.133
  273    HA   PRO  41           HA       PRO  41   1.807  -7.440   4.377
  274   1HB   PRO  41          2HB       PRO  41  -0.227  -7.292   6.614
  275   2HB   PRO  41          3HB       PRO  41   1.353  -6.452   6.476
  276   1HG   PRO  41          2HG       PRO  41  -0.961  -5.166   5.860
  277   2HG   PRO  41          3HG       PRO  41   0.501  -4.950   4.842
  278   1HD   PRO  41          2HD       PRO  41  -1.949  -6.602   4.257
  279   2HD   PRO  41          3HD       PRO  41  -0.889  -5.693   3.159
  280    H    GLN  42           H        GLN  42   2.865  -8.757   5.980
  281    HA   GLN  42           HA       GLN  42   2.655 -11.467   5.413
  282   1HB   GLN  42          2HB       GLN  42   3.979 -10.083   7.778
  283   2HB   GLN  42          3HB       GLN  42   4.201 -11.792   7.369
  284   1HG   GLN  42          2HG       GLN  42   5.074 -11.137   5.124
  285   2HG   GLN  42          3HG       GLN  42   4.984  -9.437   5.600
  286   1HE2  GLN  42          2HE2      GLN  42   7.173 -11.960   5.350
  287   2HE2  GLN  42          1HE2      GLN  42   8.262 -11.461   6.637
  288    H    VAL  43           H        VAL  43   1.940 -13.258   6.309
  289    HA   VAL  43           HA       VAL  43   0.394 -13.322   8.844
  290    HB   VAL  43           HB       VAL  43  -1.323 -14.778   7.703
  291   1HG1  VAL  43          1HG1      VAL  43  -1.776 -12.455   8.384
  292   2HG1  VAL  43          2HG1      VAL  43  -1.257 -11.886   6.783
  293   3HG1  VAL  43          3HG1      VAL  43  -2.683 -12.931   6.939
  294   1HG2  VAL  43          1HG2      VAL  43  -1.726 -14.541   5.319
  295   2HG2  VAL  43          2HG2      VAL  43  -0.316 -13.484   5.123
  296   3HG2  VAL  43          3HG2      VAL  43  -0.100 -15.198   5.543
  297    H    THR  44           H        THR  44   2.851 -14.033   8.920
  298    HA   THR  44           HA       THR  44   3.813 -16.442   7.910
  299    HB   THR  44           HB       THR  44   5.411 -16.402   9.856
  300    HG1  THR  44           1HG      THR  44   3.987 -15.420  11.375
  301   1HG2  THR  44          1HG2      THR  44   5.816 -15.085   7.757
  302   2HG2  THR  44          2HG2      THR  44   5.028 -13.687   8.518
  303   3HG2  THR  44          3HG2      THR  44   6.524 -14.351   9.203
  304    H    ARG  45           H        ARG  45   3.892 -18.523   8.473
  305    HA   ARG  45           HA       ARG  45   1.874 -19.501  10.462
  306   1HB   ARG  45          2HB       ARG  45   1.270 -19.613   8.125
  307   2HB   ARG  45          3HB       ARG  45   2.720 -20.500   7.715
  308   1HG   ARG  45          2HG       ARG  45   0.737 -21.654   9.709
  309   2HG   ARG  45          3HG       ARG  45   0.361 -21.666   7.985
  310   1HD   ARG  45          2HD       ARG  45   2.785 -23.003   9.247
  311   2HD   ARG  45          3HD       ARG  45   1.329 -23.809   8.697
  312    HE   ARG  45           HE       ARG  45   3.517 -22.678   7.050
  313   1HH1  ARG  45          1HH2      ARG  45   0.239 -23.920   6.830
  314   2HH1  ARG  45          2HH2      ARG  45   0.427 -24.311   5.142
  315   1HH2  ARG  45          1HH1      ARG  45   3.745 -23.355   5.013
  316   2HH2  ARG  45          2HH1      ARG  45   2.362 -23.952   4.119
  317    H    GLY  46           H        GLY  46   5.232 -19.806   9.695
  318   1HA   GLY  46          2HA       GLY  46   6.393 -20.848  11.746
  319   2HA   GLY  46          3HA       GLY  46   5.505 -22.312  11.319
  320    H    ASP  47           H        ASP  47   6.085 -21.215   8.376
  321    HA   ASP  47           HA       ASP  47   8.784 -22.412   8.038
  322   1HB   ASP  47          2HB       ASP  47   7.855 -23.692   6.199
  323   2HB   ASP  47          3HB       ASP  47   6.894 -23.989   7.641
  324    H    VAL  48           H        VAL  48   7.677 -19.555   7.915
  325    HA   VAL  48           HA       VAL  48   9.253 -18.680   5.620
  326    HB   VAL  48           HB       VAL  48   7.165 -19.017   4.486
  327   1HG1  VAL  48          1HG1      VAL  48   5.543 -18.875   6.341
  328   2HG1  VAL  48          2HG1      VAL  48   5.806 -17.117   6.433
  329   3HG1  VAL  48          3HG1      VAL  48   5.099 -17.841   4.980
  330   1HG2  VAL  48          1HG2      VAL  48   8.548 -17.056   3.871
  331   2HG2  VAL  48          2HG2      VAL  48   6.827 -16.830   3.525
  332   3HG2  VAL  48          3HG2      VAL  48   7.547 -16.033   4.934
  333    H    PHE  49           H        PHE  49  10.358 -16.964   6.147
  334    HA   PHE  49           HA       PHE  49   9.533 -15.086   8.301
  335   1HB   PHE  49          2HB       PHE  49  12.113 -16.714   8.298
  336   2HB   PHE  49          3HB       PHE  49  11.660 -15.483   9.480
  337    HD1  PHE  49           1HD      PHE  49  11.407 -18.990   8.588
  338    HD2  PHE  49           2HD      PHE  49   9.632 -15.868  10.977
  339    HE1  PHE  49           1HE      PHE  49  10.289 -20.702  10.000
  340    HE2  PHE  49           2HE      PHE  49   8.515 -17.584  12.386
  341    HZ   PHE  49           HZ       PHE  49   8.847 -20.002  11.901
  342    H    THR  50           H        THR  50   9.794 -14.759   5.423
  343    HA   THR  50           HA       THR  50  12.151 -12.923   5.152
  344    HB   THR  50           HB       THR  50  11.085 -14.809   3.018
  345    HG1  THR  50           1HG      THR  50  12.888 -16.062   3.463
  346   1HG2  THR  50          1HG2      THR  50  13.315 -14.403   1.961
  347   2HG2  THR  50          2HG2      THR  50  12.342 -12.937   2.053
  348   3HG2  THR  50          3HG2      THR  50  13.669 -13.191   3.212
  349    H    MET  51           H        MET  51  11.913 -11.148   3.828
  350    HA   MET  51           HA       MET  51   9.366 -10.534   2.467
  351   1HB   MET  51          2HB       MET  51   9.082  -9.739   4.808
  352   2HB   MET  51          3HB       MET  51  10.544  -8.760   4.654
  353   1HG   MET  51          2HG       MET  51   9.493  -7.452   2.853
  354   2HG   MET  51          3HG       MET  51   8.043  -8.474   2.940
  355   1HE   MET  51          1HE       MET  51   6.939  -4.926   4.284
  356   2HE   MET  51          2HE       MET  51   8.181  -5.245   3.056
  357   3HE   MET  51          3HE       MET  51   6.666  -6.175   3.047
  Start of MODEL    2
    1   1H    ASP   1          1H        ASP   1   7.085  -5.976 -17.610
    2   2H    ASP   1          2H        ASP   1   6.565  -5.261 -18.987
    3   3H    ASP   1          3H        ASP   1   7.958  -4.764 -18.282
    4    HA   ASP   1           HA       ASP   1   6.756  -3.969 -16.347
    5   1HB   ASP   1          2HB       ASP   1   7.263  -2.406 -18.191
    6   2HB   ASP   1          3HB       ASP   1   5.743  -2.844 -18.992
    7    H    GLN   2           H        GLN   2   5.009  -4.228 -15.052
    8    HA   GLN   2           HA       GLN   2   2.358  -4.917 -16.177
    9   1HB   GLN   2          2HB       GLN   2   3.805  -6.607 -14.085
   10   2HB   GLN   2          3HB       GLN   2   2.079  -6.708 -14.446
   11   1HG   GLN   2          2HG       GLN   2   2.653  -7.286 -16.826
   12   2HG   GLN   2          3HG       GLN   2   4.353  -7.387 -16.356
   13   1HE2  GLN   2          2HE2      GLN   2   2.076  -9.440 -17.195
   14   2HE2  GLN   2          1HE2      GLN   2   2.330 -10.718 -16.007
   15    H    GLU   3           H        GLU   3   0.681  -4.146 -14.985
   16    HA   GLU   3           HA       GLU   3   1.228  -2.339 -12.722
   17   1HB   GLU   3          2HB       GLU   3  -1.215  -1.838 -12.914
   18   2HB   GLU   3          3HB       GLU   3  -0.209  -1.423 -14.304
   19   1HG   GLU   3          2HG       GLU   3  -1.023  -3.345 -15.568
   20   2HG   GLU   3          3HG       GLU   3  -1.959  -3.920 -14.195
   21    H    SER   4           H        SER   4   2.009  -3.952 -11.253
   22    HA   SER   4           HA       SER   4  -0.129  -5.116  -9.592
   23   1HB   SER   4          2HB       SER   4   0.521  -7.348  -9.738
   24   2HB   SER   4          3HB       SER   4   0.499  -6.809 -11.416
   25    HG   SER   4           HG       SER   4   2.746  -6.634 -11.365
   26    H    CYS   5           H        CYS   5   1.048  -6.444  -7.670
   27    HA   CYS   5           HA       CYS   5   2.356  -4.390  -6.195
   28   1HB   CYS   5          2HB       CYS   5   0.735  -6.192  -5.458
   29   2HB   CYS   5          3HB       CYS   5   2.090  -7.326  -5.454
   30    H    LYS   6           H        LYS   6   4.041  -6.180  -8.479
   31    HA   LYS   6           HA       LYS   6   6.047  -7.362  -6.800
   32   1HB   LYS   6          2HB       LYS   6   5.825  -6.837  -9.774
   33   2HB   LYS   6          3HB       LYS   6   7.431  -7.099  -9.113
   34   1HG   LYS   6          2HG       LYS   6   6.965  -9.184  -9.750
   35   2HG   LYS   6          3HG       LYS   6   6.482  -9.282  -8.055
   36   1HD   LYS   6          2HD       LYS   6   4.563  -8.755 -10.350
   37   2HD   LYS   6          3HD       LYS   6   4.992 -10.383  -9.832
   38   1HE   LYS   6          2HE       LYS   6   4.017 -10.094  -7.661
   39   2HE   LYS   6          3HE       LYS   6   3.813  -8.357  -7.905
   40   1HZ   LYS   6          1HZ       LYS   6   2.380 -10.456  -9.424
   41   2HZ   LYS   6          2HZ       LYS   6   1.726  -9.463  -8.290
   42   3HZ   LYS   6          3HZ       LYS   6   2.271  -8.832  -9.698
   43    H    GLY   7           H        GLY   7   7.537  -6.414  -5.650
   44   1HA   GLY   7          2HA       GLY   7   9.287  -5.001  -5.041
   45   2HA   GLY   7          3HA       GLY   7   9.033  -4.021  -6.494
   46    H    ARG   8           H        ARG   8   6.092  -4.482  -4.764
   47    HA   ARG   8           HA       ARG   8   6.347  -1.789  -3.427
   48   1HB   ARG   8          2HB       ARG   8   3.948  -2.889  -4.946
   49   2HB   ARG   8          3HB       ARG   8   4.083  -1.329  -4.146
   50   1HG   ARG   8          2HG       ARG   8   6.086  -0.876  -5.746
   51   2HG   ARG   8          3HG       ARG   8   5.486  -2.276  -6.652
   52   1HD   ARG   8          2HD       ARG   8   4.525  -0.364  -7.652
   53   2HD   ARG   8          3HD       ARG   8   3.214  -1.129  -6.735
   54    HE   ARG   8           HE       ARG   8   3.903   0.569  -4.862
   55   1HH1  ARG   8          1HH2      ARG   8   4.103   1.523  -8.242
   56   2HH1  ARG   8          2HH2      ARG   8   4.165   3.210  -7.812
   57   1HH2  ARG   8          1HH1      ARG   8   4.005   2.525  -4.413
   58   2HH2  ARG   8          2HH1      ARG   8   4.161   3.799  -5.627
   59    H    CYS   9           H        CYS   9   5.018  -5.018  -3.032
   60    HA   CYS   9           HA       CYS   9   3.022  -4.507  -1.233
   61   1HB   CYS   9          2HB       CYS   9   4.852  -6.896  -0.916
   62   2HB   CYS   9          3HB       CYS   9   3.120  -6.762  -0.563
   63    H    THR  10           H        THR  10   2.751  -3.764   0.718
   64    HA   THR  10           HA       THR  10   3.073  -2.719   2.639
   65    HB   THR  10           HB       THR  10   5.259  -4.620   3.476
   66    HG1  THR  10           1HG      THR  10   3.635  -5.857   2.514
   67   1HG2  THR  10          1HG2      THR  10   4.042  -4.518   5.630
   68   2HG2  THR  10          2HG2      THR  10   4.508  -2.889   5.129
   69   3HG2  THR  10          3HG2      THR  10   2.832  -3.432   4.914
   70    H    GLU  11           H        GLU  11   4.424  -1.514   0.488
   71    HA   GLU  11           HA       GLU  11   7.086  -0.704   1.182
   72   1HB   GLU  11          2HB       GLU  11   6.804   1.058  -0.459
   73   2HB   GLU  11          3HB       GLU  11   6.330  -0.500  -1.094
   74   1HG   GLU  11          2HG       GLU  11   3.927   0.113  -0.829
   75   2HG   GLU  11          3HG       GLU  11   4.395   1.642  -0.080
   76    H    GLY  12           H        GLY  12   4.114   0.412   2.514
   77   1HA   GLY  12          2HA       GLY  12   3.986   1.782   4.460
   78   2HA   GLY  12          3HA       GLY  12   5.493   2.592   4.026
   79    H    PHE  13           H        PHE  13   2.813   3.618   4.732
   80    HA   PHE  13           HA       PHE  13   1.368   4.534   2.456
   81   1HB   PHE  13          2HB       PHE  13   0.238   4.218   4.511
   82   2HB   PHE  13          3HB       PHE  13   1.379   5.233   5.402
   83    HD1  PHE  13           1HD      PHE  13  -1.292   5.315   2.755
   84    HD2  PHE  13           2HD      PHE  13   0.945   7.549   5.699
   85    HE1  PHE  13           1HE      PHE  13  -2.838   7.228   2.491
   86    HE2  PHE  13           2HE      PHE  13  -0.593   9.471   5.410
   87    HZ   PHE  13           HZ       PHE  13  -2.490   9.312   3.817
   88    H    ASN  14           H        ASN  14   1.287   6.276   1.344
   89    HA   ASN  14           HA       ASN  14   1.985   8.897   2.148
   90   1HB   ASN  14          2HB       ASN  14   4.327   8.306   1.674
   91   2HB   ASN  14          3HB       ASN  14   3.854   7.635   0.106
   92   1HD2  ASN  14          2HD2      ASN  14   5.643   9.236  -0.551
   93   2HD2  ASN  14          1HD2      ASN  14   5.082  10.865  -0.911
   94    H    VAL  15           H        VAL  15  -0.068   9.382   1.500
   95    HA   VAL  15           HA       VAL  15  -1.434   8.135  -0.564
   96    HB   VAL  15           HB       VAL  15  -2.290   9.269   1.459
   97   1HG1  VAL  15          1HG1      VAL  15  -2.446  11.754  -0.235
   98   2HG1  VAL  15          2HG1      VAL  15  -3.114  11.488   1.399
   99   3HG1  VAL  15          3HG1      VAL  15  -1.362  11.492   1.161
  100   1HG2  VAL  15          1HG2      VAL  15  -3.709   8.164  -0.143
  101   2HG2  VAL  15          2HG2      VAL  15  -4.493   9.555   0.612
  102   3HG2  VAL  15          3HG2      VAL  15  -3.888   9.688  -1.055
  103    H    ASP  16           H        ASP  16   0.883  10.535  -1.151
  104    HA   ASP  16           HA       ASP  16  -0.175  11.433  -3.734
  105   1HB   ASP  16          2HB       ASP  16   2.538  11.615  -2.395
  106   2HB   ASP  16          3HB       ASP  16   2.224  12.223  -4.024
  107    H    LYS  17           H        LYS  17   1.449   8.519  -2.694
  108    HA   LYS  17           HA       LYS  17   2.748   7.826  -5.198
  109   1HB   LYS  17          2HB       LYS  17   1.766   6.072  -2.905
  110   2HB   LYS  17          3HB       LYS  17   2.748   5.504  -4.250
  111   1HG   LYS  17          2HG       LYS  17   4.636   6.836  -3.554
  112   2HG   LYS  17          3HG       LYS  17   3.680   7.633  -2.278
  113   1HD   LYS  17          2HD       LYS  17   3.325   5.488  -1.136
  114   2HD   LYS  17          3HD       LYS  17   4.113   4.622  -2.468
  115   1HE   LYS  17          2HE       LYS  17   6.247   5.809  -1.954
  116   2HE   LYS  17          3HE       LYS  17   5.468   6.578  -0.556
  117   1HZ   LYS  17          1HZ       LYS  17   5.050   4.309   0.327
  118   2HZ   LYS  17          2HZ       LYS  17   5.808   3.669  -0.993
  119   3HZ   LYS  17          3HZ       LYS  17   6.659   4.558   0.093
  120    H    LYS  18           H        LYS  18   2.127   6.416  -6.813
  121    HA   LYS  18           HA       LYS  18  -0.573   6.413  -7.664
  122   1HB   LYS  18          2HB       LYS  18   1.332   6.331  -9.177
  123   2HB   LYS  18          3HB       LYS  18   1.779   4.726  -8.588
  124   1HG   LYS  18          2HG       LYS  18   0.712   4.603 -10.776
  125   2HG   LYS  18          3HG       LYS  18  -0.294   3.792  -9.566
  126   1HD   LYS  18          2HD       LYS  18  -1.695   5.892  -9.418
  127   2HD   LYS  18          3HD       LYS  18  -0.712   6.592 -10.721
  128   1HE   LYS  18          2HE       LYS  18  -1.356   4.705 -12.212
  129   2HE   LYS  18          3HE       LYS  18  -2.331   4.008 -10.911
  130   1HZ   LYS  18          1HZ       LYS  18  -3.698   5.309 -12.438
  131   2HZ   LYS  18          2HZ       LYS  18  -3.718   6.014 -10.967
  132   3HZ   LYS  18          3HZ       LYS  18  -2.818   6.657 -12.172
  133    H    CYS  19           H        CYS  19   1.059   4.024  -5.691
  134    HA   CYS  19           HA       CYS  19  -1.584   2.677  -5.301
  135   1HB   CYS  19          2HB       CYS  19  -0.249   1.087  -6.623
  136   2HB   CYS  19          3HB       CYS  19   1.100   1.261  -5.492
  137    H    GLN  20           H        GLN  20  -2.176   2.647  -3.267
  138    HA   GLN  20           HA       GLN  20  -0.209   3.133  -1.085
  139   1HB   GLN  20          2HB       GLN  20  -3.227   2.814  -1.052
  140   2HB   GLN  20          3HB       GLN  20  -2.207   3.189   0.351
  141   1HG   GLN  20          2HG       GLN  20  -2.827   4.944  -2.033
  142   2HG   GLN  20          3HG       GLN  20  -3.127   5.255  -0.317
  143   1HE2  GLN  20          2HE2      GLN  20  -1.078   6.142  -2.875
  144   2HE2  GLN  20          1HE2      GLN  20   0.219   6.714  -1.817
  145    H    CYS  21           H        CYS  21   0.858   1.179  -1.933
  146    HA   CYS  21           HA       CYS  21  -0.398  -1.448  -1.543
  147   1HB   CYS  21          2HB       CYS  21   2.322  -0.437  -2.424
  148   2HB   CYS  21          3HB       CYS  21   1.985  -2.148  -2.191
  149    H    ASP  22           H        ASP  22  -0.746  -0.322   0.797
  150    HA   ASP  22           HA       ASP  22   1.248  -1.398   2.720
  151   1HB   ASP  22          2HB       ASP  22   1.537   0.792   3.764
  152   2HB   ASP  22          3HB       ASP  22   1.989   0.868   2.061
  153    H    GLU  23           H        GLU  23   0.595  -0.563   5.010
  154    HA   GLU  23           HA       GLU  23  -1.670  -2.062   5.791
  155   1HB   GLU  23          2HB       GLU  23  -0.042  -0.067   7.413
  156   2HB   GLU  23          3HB       GLU  23  -1.005  -1.409   8.036
  157   1HG   GLU  23          2HG       GLU  23   0.521  -2.998   6.802
  158   2HG   GLU  23          3HG       GLU  23   1.540  -1.624   6.358
  159    H    LEU  24           H        LEU  24  -1.727   1.295   4.846
  160    HA   LEU  24           HA       LEU  24  -4.147   1.848   6.555
  161   1HB   LEU  24          2HB       LEU  24  -2.015   3.728   5.481
  162   2HB   LEU  24          3HB       LEU  24  -3.434   4.218   6.397
  163    HG   LEU  24           HG       LEU  24  -1.177   2.471   7.469
  164   1HD1  LEU  24          1HD1      LEU  24  -0.626   4.444   8.824
  165   2HD1  LEU  24          2HD1      LEU  24  -0.531   4.823   7.098
  166   3HD1  LEU  24          3HD1      LEU  24  -1.932   5.366   8.044
  167   1HD2  LEU  24          1HD2      LEU  24  -3.286   1.925   8.611
  168   2HD2  LEU  24          2HD2      LEU  24  -2.253   2.874   9.681
  169   3HD2  LEU  24          3HD2      LEU  24  -3.626   3.652   8.860
  170    H    CYS  25           H        CYS  25  -3.413   1.096   3.431
  171    HA   CYS  25           HA       CYS  25  -4.506   3.156   1.900
  172   1HB   CYS  25          2HB       CYS  25  -4.420   1.588   0.129
  173   2HB   CYS  25          3HB       CYS  25  -3.079   1.252   1.244
  174    H    SER  26           H        SER  26  -6.324   0.504   3.455
  175    HA   SER  26           HA       SER  26  -8.668   0.766   1.816
  176   1HB   SER  26          2HB       SER  26  -9.700  -0.742   3.404
  177   2HB   SER  26          3HB       SER  26  -8.068  -1.287   3.003
  178    HG   SER  26           HG       SER  26  -8.488  -1.360   5.280
  179    H    TYR  27           H        TYR  27  -7.672   2.331   4.789
  180    HA   TYR  27           HA       TYR  27 -10.095   3.738   5.432
  181   1HB   TYR  27          2HB       TYR  27  -8.515   3.489   7.118
  182   2HB   TYR  27          3HB       TYR  27  -7.172   3.922   6.095
  183    HD1  TYR  27           1HD      TYR  27  -6.170   5.969   6.288
  184    HD2  TYR  27           2HD      TYR  27 -10.230   5.483   7.656
  185    HE1  TYR  27           1HE      TYR  27  -6.120   8.273   7.210
  186    HE2  TYR  27           2HE      TYR  27 -10.179   7.793   8.606
  187    HH   TYR  27           HH       TYR  27  -7.283   9.893   8.359
  188    H    TYR  28           H        TYR  28  -7.787   4.215   2.866
  189    HA   TYR  28           HA       TYR  28  -9.055   6.823   2.111
  190   1HB   TYR  28          2HB       TYR  28  -6.365   5.585   1.448
  191   2HB   TYR  28          3HB       TYR  28  -7.012   7.007   0.626
  192    HD1  TYR  28           1HD      TYR  28  -5.250   5.825   3.565
  193    HD2  TYR  28           2HD      TYR  28  -7.497   9.113   1.902
  194    HE1  TYR  28           1HE      TYR  28  -4.252   7.363   5.247
  195    HE2  TYR  28           2HE      TYR  28  -6.507  10.648   3.590
  196    HH   TYR  28           HH       TYR  28  -5.079  10.856   5.367
  197    H    GLN  29           H        GLN  29  -9.330   3.583   1.398
  198    HA   GLN  29           HA       GLN  29  -9.916   2.284  -0.339
  199   1HB   GLN  29          2HB       GLN  29 -11.532   4.689  -1.265
  200   2HB   GLN  29          3HB       GLN  29 -11.774   3.004  -1.711
  201   1HG   GLN  29          2HG       GLN  29 -13.404   3.309  -0.109
  202   2HG   GLN  29          3HG       GLN  29 -12.114   2.529   0.809
  203   1HE2  GLN  29          2HE2      GLN  29 -11.612   3.554   2.761
  204   2HE2  GLN  29          1HE2      GLN  29 -12.004   5.243   3.112
  205    H    SER  30           H        SER  30  -7.400   3.424  -0.712
  206    HA   SER  30           HA       SER  30  -7.181   3.828  -3.674
  207   1HB   SER  30          2HB       SER  30  -5.346   5.411  -3.121
  208   2HB   SER  30          3HB       SER  30  -6.928   5.902  -2.476
  209    HG   SER  30           HG       SER  30  -5.312   6.112  -0.904
  210    H    CYS  31           H        CYS  31  -6.740   1.369  -1.875
  211    HA   CYS  31           HA       CYS  31  -4.013   0.554  -1.995
  212   1HB   CYS  31          2HB       CYS  31  -6.458  -1.219  -2.284
  213   2HB   CYS  31          3HB       CYS  31  -4.872  -1.612  -1.600
  214    H    CYS  32           H        CYS  32  -3.015  -1.085  -3.424
  215    HA   CYS  32           HA       CYS  32  -3.177  -0.962  -6.154
  216   1HB   CYS  32          2HB       CYS  32  -2.657  -3.658  -5.774
  217   2HB   CYS  32          3HB       CYS  32  -1.468  -2.371  -5.765
  218    H    THR  33           H        THR  33  -3.979  -2.237  -7.804
  219    HA   THR  33           HA       THR  33  -6.673  -2.439  -8.080
  220    HB   THR  33           HB       THR  33  -4.744  -4.235  -9.584
  221    HG1  THR  33           1HG      THR  33  -4.351  -2.408 -10.860
  222   1HG2  THR  33          1HG2      THR  33  -7.246  -2.715 -10.456
  223   2HG2  THR  33          2HG2      THR  33  -6.156  -3.607 -11.542
  224   3HG2  THR  33          3HG2      THR  33  -7.081  -4.481 -10.318
  225    H    ASP  34           H        ASP  34  -4.706  -5.045  -6.742
  226    HA   ASP  34           HA       ASP  34  -7.183  -6.555  -6.101
  227   1HB   ASP  34          2HB       ASP  34  -6.101  -7.435  -8.213
  228   2HB   ASP  34          3HB       ASP  34  -4.679  -7.852  -7.245
  229    H    TYR  35           H        TYR  35  -5.575  -4.804  -4.495
  230    HA   TYR  35           HA       TYR  35  -3.523  -5.531  -3.004
  231   1HB   TYR  35          2HB       TYR  35  -4.621  -3.448  -2.630
  232   2HB   TYR  35          3HB       TYR  35  -6.113  -4.236  -2.114
  233    HD1  TYR  35           1HD      TYR  35  -6.445  -5.005   0.167
  234    HD2  TYR  35           2HD      TYR  35  -2.688  -3.264  -1.045
  235    HE1  TYR  35           1HE      TYR  35  -5.790  -4.711   2.552
  236    HE2  TYR  35           2HE      TYR  35  -2.026  -3.015   1.315
  237    HH   TYR  35           HH       TYR  35  -2.767  -3.038   3.462
  238    H    THR  36           H        THR  36  -6.774  -6.724  -1.988
  239    HA   THR  36           HA       THR  36  -5.827  -8.006   0.324
  240    HB   THR  36           HB       THR  36  -8.303  -9.028  -1.050
  241    HG1  THR  36           1HG      THR  36  -9.394  -7.177  -0.392
  242   1HG2  THR  36          1HG2      THR  36  -9.217  -8.781   1.264
  243   2HG2  THR  36          2HG2      THR  36  -7.784  -9.815   1.246
  244   3HG2  THR  36          3HG2      THR  36  -7.647  -8.135   1.804
  245    H    ALA  37           H        ALA  37  -5.403  -9.126  -2.888
  246    HA   ALA  37           HA       ALA  37  -4.481 -11.760  -1.790
  247   1HB   ALA  37          1HB       ALA  37  -5.608 -11.189  -4.557
  248   2HB   ALA  37          2HB       ALA  37  -4.966 -12.744  -3.986
  249   3HB   ALA  37          3HB       ALA  37  -6.432 -12.069  -3.250
  250    H    GLU  38           H        GLU  38  -3.728  -9.023  -3.955
  251    HA   GLU  38           HA       GLU  38  -1.153 -10.177  -4.762
  252   1HB   GLU  38          2HB       GLU  38  -2.878  -7.881  -5.507
  253   2HB   GLU  38          3HB       GLU  38  -1.170  -7.486  -5.529
  254   1HG   GLU  38          2HG       GLU  38  -2.270  -9.949  -6.922
  255   2HG   GLU  38          3HG       GLU  38  -2.181  -8.363  -7.695
  256    H    CYS  39           H        CYS  39  -2.150  -7.654  -2.409
  257    HA   CYS  39           HA       CYS  39   0.740  -7.129  -1.874
  258   1HB   CYS  39          2HB       CYS  39  -1.330  -5.062  -1.354
  259   2HB   CYS  39          3HB       CYS  39   0.367  -4.882  -1.802
  260    H    LYS  40           H        LYS  40  -2.044  -8.276  -0.356
  261    HA   LYS  40           HA       LYS  40  -2.430  -7.189   2.009
  262   1HB   LYS  40          2HB       LYS  40  -3.512  -9.242   1.113
  263   2HB   LYS  40          3HB       LYS  40  -2.166 -10.191   1.745
  264   1HG   LYS  40          2HG       LYS  40  -2.748  -9.014   4.041
  265   2HG   LYS  40          3HG       LYS  40  -4.279  -8.611   3.255
  266   1HD   LYS  40          2HD       LYS  40  -3.124 -11.398   3.730
  267   2HD   LYS  40          3HD       LYS  40  -4.445 -10.639   4.628
  268   1HE   LYS  40          2HE       LYS  40  -5.802 -10.551   2.534
  269   2HE   LYS  40          3HE       LYS  40  -4.492 -11.358   1.668
  270   1HZ   LYS  40          1HZ       LYS  40  -4.773 -13.272   3.150
  271   2HZ   LYS  40          2HZ       LYS  40  -5.997 -12.532   3.944
  272   3HZ   LYS  40          3HZ       LYS  40  -6.170 -12.944   2.374
  273    HA   PRO  41           HA       PRO  41   1.598  -7.130   4.203
  274   1HB   PRO  41          2HB       PRO  41  -0.314  -5.903   6.199
  275   2HB   PRO  41          3HB       PRO  41   1.360  -5.405   5.791
  276   1HG   PRO  41          2HG       PRO  41  -0.758  -4.052   4.776
  277   2HG   PRO  41          3HG       PRO  41   0.642  -4.442   3.722
  278   1HD   PRO  41          2HD       PRO  41  -2.030  -5.859   3.893
  279   2HD   PRO  41          3HD       PRO  41  -1.064  -5.427   2.460
  280    H    GLN  42           H        GLN  42   2.411  -8.102   6.174
  281    HA   GLN  42           HA       GLN  42   1.198 -10.592   6.945
  282   1HB   GLN  42          2HB       GLN  42   3.437  -8.963   8.209
  283   2HB   GLN  42          3HB       GLN  42   2.977 -10.591   8.731
  284   1HG   GLN  42          2HG       GLN  42   3.984  -9.898   5.932
  285   2HG   GLN  42          3HG       GLN  42   4.976 -10.520   7.242
  286   1HE2  GLN  42          2HE2      GLN  42   5.121 -12.778   7.503
  287   2HE2  GLN  42          1HE2      GLN  42   4.059 -13.891   6.627
  288    H    VAL  43           H        VAL  43  -0.463 -10.936   8.219
  289    HA   VAL  43           HA       VAL  43  -1.690  -8.923   9.901
  290    HB   VAL  43           HB       VAL  43  -2.180 -11.926   9.685
  291   1HG1  VAL  43          1HG1      VAL  43  -4.429 -11.410  10.630
  292   2HG1  VAL  43          2HG1      VAL  43  -3.144 -11.123  11.795
  293   3HG1  VAL  43          3HG1      VAL  43  -3.900  -9.746  10.956
  294   1HG2  VAL  43          1HG2      VAL  43  -4.119 -11.258   8.292
  295   2HG2  VAL  43          2HG2      VAL  43  -3.627  -9.555   8.413
  296   3HG2  VAL  43          3HG2      VAL  43  -2.608 -10.727   7.554
  297    H    THR  44           H        THR  44  -1.632  -8.660  12.082
  298    HA   THR  44           HA       THR  44   0.510  -9.810  13.681
  299    HB   THR  44           HB       THR  44  -0.053  -7.475  13.835
  300    HG1  THR  44           1HG      THR  44   0.887  -8.280  15.620
  301   1HG2  THR  44          1HG2      THR  44  -1.988  -6.590  14.961
  302   2HG2  THR  44          2HG2      THR  44  -2.500  -7.492  13.532
  303   3HG2  THR  44          3HG2      THR  44  -2.695  -8.201  15.148
  304    H    ARG  45           H        ARG  45  -0.610 -11.973  12.983
  305    HA   ARG  45           HA       ARG  45  -3.009 -12.889  14.187
  306   1HB   ARG  45          2HB       ARG  45  -1.982 -13.825  12.187
  307   2HB   ARG  45          3HB       ARG  45  -0.611 -14.432  13.106
  308   1HG   ARG  45          2HG       ARG  45  -3.383 -15.336  13.902
  309   2HG   ARG  45          3HG       ARG  45  -2.690 -15.965  12.399
  310   1HD   ARG  45          2HD       ARG  45  -0.795 -16.902  13.510
  311   2HD   ARG  45          3HD       ARG  45  -1.219 -16.147  15.055
  312    HE   ARG  45           HE       ARG  45  -3.444 -17.652  14.447
  313   1HH1  ARG  45          1HH2      ARG  45  -0.054 -18.455  14.910
  314   2HH1  ARG  45          2HH2      ARG  45  -0.440 -20.077  15.448
  315   1HH2  ARG  45          1HH1      ARG  45  -3.845 -19.722  15.129
  316   2HH2  ARG  45          2HH1      ARG  45  -2.524 -20.760  15.581
  317    H    GLY  46           H        GLY  46   0.230 -12.956  15.526
  318   1HA   GLY  46          2HA       GLY  46  -0.043 -12.863  18.110
  319   2HA   GLY  46          3HA       GLY  46  -0.675 -14.503  17.927
  320    H    ASP  47           H        ASP  47   1.196 -15.230  15.795
  321    HA   ASP  47           HA       ASP  47   3.827 -15.286  17.195
  322   1HB   ASP  47          2HB       ASP  47   4.042 -17.588  16.744
  323   2HB   ASP  47          3HB       ASP  47   2.403 -17.396  17.367
  324    H    VAL  48           H        VAL  48   2.539 -13.840  14.806
  325    HA   VAL  48           HA       VAL  48   4.953 -13.537  13.232
  326    HB   VAL  48           HB       VAL  48   3.936 -15.398  12.025
  327   1HG1  VAL  48          1HG1      VAL  48   1.568 -15.127  12.571
  328   2HG1  VAL  48          2HG1      VAL  48   1.488 -13.642  11.591
  329   3HG1  VAL  48          3HG1      VAL  48   1.810 -15.210  10.824
  330   1HG2  VAL  48          1HG2      VAL  48   5.158 -13.653  10.754
  331   2HG2  VAL  48          2HG2      VAL  48   3.929 -14.492   9.801
  332   3HG2  VAL  48          3HG2      VAL  48   3.605 -12.855  10.392
  333    H    PHE  49           H        PHE  49   4.978 -11.527  12.177
  334    HA   PHE  49           HA       PHE  49   2.762  -9.636  12.262
  335   1HB   PHE  49          2HB       PHE  49   3.216  -9.633  14.633
  336   2HB   PHE  49          3HB       PHE  49   4.958  -9.576  14.364
  337    HD1  PHE  49           1HD      PHE  49   2.135  -7.440  13.002
  338    HD2  PHE  49           2HD      PHE  49   5.770  -7.622  15.320
  339    HE1  PHE  49           1HE      PHE  49   2.083  -4.976  13.285
  340    HE2  PHE  49           2HE      PHE  49   5.715  -5.158  15.595
  341    HZ   PHE  49           HZ       PHE  49   3.872  -3.830  14.579
  342    H    THR  50           H        THR  50   6.345  -9.931  12.203
  343    HA   THR  50           HA       THR  50   6.490  -7.903  10.013
  344    HB   THR  50           HB       THR  50   6.741  -6.865  12.239
  345    HG1  THR  50           1HG      THR  50   9.037  -6.873  10.602
  346   1HG2  THR  50          1HG2      THR  50   7.873  -8.655  13.495
  347   2HG2  THR  50          2HG2      THR  50   9.328  -8.456  12.493
  348   3HG2  THR  50          3HG2      THR  50   8.778  -7.138  13.546
  349    H    MET  51           H        MET  51   6.823 -10.869  10.064
  350    HA   MET  51           HA       MET  51   9.442 -11.117   8.695
  351   1HB   MET  51          2HB       MET  51   8.497 -12.908  10.980
  352   2HB   MET  51          3HB       MET  51   9.838 -13.280   9.892
  353   1HG   MET  51          2HG       MET  51  11.023 -11.238  10.628
  354   2HG   MET  51          3HG       MET  51   9.703 -10.889  11.762
  355   1HE   MET  51          1HE       MET  51  12.628 -11.860  14.151
  356   2HE   MET  51          2HE       MET  51  12.762 -10.993  12.605
  357   3HE   MET  51          3HE       MET  51  11.420 -10.631  13.715
  Start of MODEL    3
    1   1H    ASP   1          1H        ASP   1   0.596  -3.661 -18.314
    2   2H    ASP   1          2H        ASP   1   0.032  -4.981 -19.111
    3   3H    ASP   1          3H        ASP   1  -1.009  -3.811 -18.600
    4    HA   ASP   1           HA       ASP   1  -1.202  -5.680 -17.148
    5   1HB   ASP   1          2HB       ASP   1   1.811  -5.355 -16.820
    6   2HB   ASP   1          3HB       ASP   1   0.784  -6.362 -15.783
    7    H    GLN   2           H        GLN   2  -1.721  -5.398 -14.964
    8    HA   GLN   2           HA       GLN   2  -1.950  -2.656 -14.094
    9   1HB   GLN   2          2HB       GLN   2  -3.302  -3.470 -12.398
   10   2HB   GLN   2          3HB       GLN   2  -3.650  -4.503 -13.763
   11   1HG   GLN   2          2HG       GLN   2  -1.913  -5.221 -11.347
   12   2HG   GLN   2          3HG       GLN   2  -3.566  -5.730 -11.613
   13   1HE2  GLN   2          2HE2      GLN   2  -1.351  -7.535 -11.152
   14   2HE2  GLN   2          1HE2      GLN   2  -1.200  -8.494 -12.621
   15    H    GLU   3           H        GLU   3  -1.359  -1.869 -11.940
   16    HA   GLU   3           HA       GLU   3   1.415  -2.245 -11.242
   17   1HB   GLU   3          2HB       GLU   3  -0.847  -0.758  -9.833
   18   2HB   GLU   3          3HB       GLU   3   0.856  -0.720  -9.363
   19   1HG   GLU   3          2HG       GLU   3   0.441   1.262 -10.575
   20   2HG   GLU   3          3HG       GLU   3   1.474   0.227 -11.552
   21    H    SER   4           H        SER   4   1.392  -4.596 -10.916
   22    HA   SER   4           HA       SER   4   0.290  -5.742  -8.481
   23   1HB   SER   4          2HB       SER   4   0.987  -7.109 -10.447
   24   2HB   SER   4          3HB       SER   4   2.677  -6.639 -10.153
   25    HG   SER   4           HG       SER   4   1.067  -8.488  -8.845
   26    H    CYS   5           H        CYS   5   1.614  -6.553  -6.732
   27    HA   CYS   5           HA       CYS   5   3.520  -4.467  -5.723
   28   1HB   CYS   5          2HB       CYS   5   1.168  -4.482  -4.905
   29   2HB   CYS   5          3HB       CYS   5   1.404  -6.136  -4.341
   30    H    LYS   6           H        LYS   6   3.483  -7.738  -6.579
   31    HA   LYS   6           HA       LYS   6   4.646  -8.936  -4.252
   32   1HB   LYS   6          2HB       LYS   6   4.424  -9.919  -7.111
   33   2HB   LYS   6          3HB       LYS   6   4.960 -10.907  -5.730
   34   1HG   LYS   6          2HG       LYS   6   2.826 -10.254  -4.524
   35   2HG   LYS   6          3HG       LYS   6   2.263  -9.510  -6.032
   36   1HD   LYS   6          2HD       LYS   6   2.926 -12.436  -5.622
   37   2HD   LYS   6          3HD       LYS   6   1.320 -11.700  -5.643
   38   1HE   LYS   6          2HE       LYS   6   1.968 -10.841  -8.022
   39   2HE   LYS   6          3HE       LYS   6   3.287 -12.024  -7.937
   40   1HZ   LYS   6          1HZ       LYS   6   1.407 -13.087  -8.935
   41   2HZ   LYS   6          2HZ       LYS   6   1.487 -13.696  -7.401
   42   3HZ   LYS   6          3HZ       LYS   6   0.376 -12.521  -7.796
   43    H    GLY   7           H        GLY   7   6.293  -7.936  -3.541
   44   1HA   GLY   7          2HA       GLY   7   8.872  -8.224  -3.603
   45   2HA   GLY   7          3HA       GLY   7   8.743  -7.430  -5.182
   46    H    ARG   8           H        ARG   8   6.387  -5.940  -3.385
   47    HA   ARG   8           HA       ARG   8   8.183  -3.726  -2.427
   48   1HB   ARG   8          2HB       ARG   8   5.577  -3.531  -4.000
   49   2HB   ARG   8          3HB       ARG   8   6.536  -2.189  -3.388
   50   1HG   ARG   8          2HG       ARG   8   8.446  -2.970  -4.850
   51   2HG   ARG   8          3HG       ARG   8   7.300  -4.093  -5.612
   52   1HD   ARG   8          2HD       ARG   8   6.989  -1.055  -5.435
   53   2HD   ARG   8          3HD       ARG   8   7.543  -1.947  -6.855
   54    HE   ARG   8           HE       ARG   8   5.369  -2.889  -7.162
   55   1HH1  ARG   8          1HH2      ARG   8   5.209  -0.456  -4.538
   56   2HH1  ARG   8          2HH2      ARG   8   3.558  -0.129  -4.936
   57   1HH2  ARG   8          1HH1      ARG   8   3.246  -2.499  -7.384
   58   2HH2  ARG   8          2HH1      ARG   8   2.469  -1.251  -6.444
   59    H    CYS   9           H        CYS   9   5.014  -5.333  -1.921
   60    HA   CYS   9           HA       CYS   9   3.674  -3.555  -0.523
   61   1HB   CYS   9          2HB       CYS   9   3.760  -6.434   0.394
   62   2HB   CYS   9          3HB       CYS   9   2.378  -5.327   0.360
   63    H    THR  10           H        THR  10   3.207  -2.861   1.444
   64    HA   THR  10           HA       THR  10   3.525  -2.032   3.517
   65    HB   THR  10           HB       THR  10   5.496  -4.173   4.312
   66    HG1  THR  10           1HG      THR  10   2.667  -4.413   4.166
   67   1HG2  THR  10          1HG2      THR  10   4.926  -2.474   6.034
   68   2HG2  THR  10          2HG2      THR  10   3.201  -2.792   5.780
   69   3HG2  THR  10          3HG2      THR  10   4.256  -4.050   6.456
   70    H    GLU  11           H        GLU  11   5.319  -1.410   1.180
   71    HA   GLU  11           HA       GLU  11   7.808  -0.416   2.193
   72   1HB   GLU  11          2HB       GLU  11   7.761   1.080   0.229
   73   2HB   GLU  11          3HB       GLU  11   7.561  -0.613  -0.163
   74   1HG   GLU  11          2HG       GLU  11   5.133  -0.280  -0.506
   75   2HG   GLU  11          3HG       GLU  11   5.285   1.416  -0.012
   76    H    GLY  12           H        GLY  12   4.615   0.741   2.762
   77   1HA   GLY  12          2HA       GLY  12   4.340   2.262   4.642
   78   2HA   GLY  12          3HA       GLY  12   5.666   3.255   4.031
   79    H    PHE  13           H        PHE  13   3.121   4.182   4.723
   80    HA   PHE  13           HA       PHE  13   1.355   4.615   2.487
   81   1HB   PHE  13          2HB       PHE  13   0.493   4.642   4.689
   82   2HB   PHE  13          3HB       PHE  13   1.721   5.782   5.258
   83    HD1  PHE  13           1HD      PHE  13  -1.121   5.514   2.789
   84    HD2  PHE  13           2HD      PHE  13   1.170   8.034   5.450
   85    HE1  PHE  13           1HE      PHE  13  -2.717   7.373   2.425
   86    HE2  PHE  13           2HE      PHE  13  -0.424   9.898   5.063
   87    HZ   PHE  13           HZ       PHE  13  -2.369   9.566   3.560
   88    H    ASN  14           H        ASN  14   1.226   6.171   1.009
   89    HA   ASN  14           HA       ASN  14   2.338   8.812   1.309
   90   1HB   ASN  14          2HB       ASN  14   4.393   7.502   0.643
   91   2HB   ASN  14          3HB       ASN  14   3.606   7.103  -0.887
   92   1HD2  ASN  14          2HD2      ASN  14   6.058   8.483  -0.736
   93   2HD2  ASN  14          1HD2      ASN  14   5.798  10.162  -1.207
   94    H    VAL  15           H        VAL  15   0.092   9.231   1.040
   95    HA   VAL  15           HA       VAL  15  -1.555   8.121  -0.889
   96    HB   VAL  15           HB       VAL  15  -2.071   9.342   1.251
   97   1HG1  VAL  15          1HG1      VAL  15  -1.212  11.566   0.689
   98   2HG1  VAL  15          2HG1      VAL  15  -2.517  11.740  -0.515
   99   3HG1  VAL  15          3HG1      VAL  15  -2.904  11.553   1.214
  100   1HG2  VAL  15          1HG2      VAL  15  -4.377   9.624   0.689
  101   2HG2  VAL  15          2HG2      VAL  15  -3.993   9.646  -1.047
  102   3HG2  VAL  15          3HG2      VAL  15  -3.716   8.175  -0.076
  103    H    ASP  16           H        ASP  16   0.768  10.445  -1.670
  104    HA   ASP  16           HA       ASP  16  -0.456  11.617  -4.023
  105   1HB   ASP  16          2HB       ASP  16   1.472  12.572  -2.816
  106   2HB   ASP  16          3HB       ASP  16   2.431  11.140  -3.221
  107    H    LYS  17           H        LYS  17   0.927   8.449  -3.391
  108    HA   LYS  17           HA       LYS  17   1.683   8.007  -6.212
  109   1HB   LYS  17          2HB       LYS  17   2.026   6.130  -3.846
  110   2HB   LYS  17          3HB       LYS  17   2.855   6.060  -5.408
  111   1HG   LYS  17          2HG       LYS  17   3.207   8.139  -3.218
  112   2HG   LYS  17          3HG       LYS  17   4.376   6.925  -3.744
  113   1HD   LYS  17          2HD       LYS  17   4.683   8.078  -5.885
  114   2HD   LYS  17          3HD       LYS  17   3.384   9.230  -5.488
  115   1HE   LYS  17          2HE       LYS  17   4.687   9.898  -3.438
  116   2HE   LYS  17          3HE       LYS  17   6.050   8.945  -4.058
  117   1HZ   LYS  17          1HZ       LYS  17   5.951  10.379  -6.078
  118   2HZ   LYS  17          2HZ       LYS  17   4.724  11.249  -5.408
  119   3HZ   LYS  17          3HZ       LYS  17   6.217  11.277  -4.738
  120    H    LYS  18           H        LYS  18   1.285   6.112  -7.357
  121    HA   LYS  18           HA       LYS  18  -1.467   5.822  -7.927
  122   1HB   LYS  18          2HB       LYS  18   1.089   4.639  -8.967
  123   2HB   LYS  18          3HB       LYS  18  -0.395   3.774  -9.353
  124   1HG   LYS  18          2HG       LYS  18   0.064   5.265 -11.144
  125   2HG   LYS  18          3HG       LYS  18  -1.383   5.839 -10.295
  126   1HD   LYS  18          2HD       LYS  18   0.063   7.507  -9.079
  127   2HD   LYS  18          3HD       LYS  18   1.442   6.994 -10.060
  128   1HE   LYS  18          2HE       LYS  18  -1.176   8.163 -11.124
  129   2HE   LYS  18          3HE       LYS  18   0.311   9.079 -10.875
  130   1HZ   LYS  18          1HZ       LYS  18   0.005   6.822 -12.784
  131   2HZ   LYS  18          2HZ       LYS  18   0.114   8.398 -13.178
  132   3HZ   LYS  18          3HZ       LYS  18   1.399   7.639 -12.523
  133    H    CYS  19           H        CYS  19   0.369   3.858  -5.740
  134    HA   CYS  19           HA       CYS  19  -2.169   2.479  -5.084
  135   1HB   CYS  19          2HB       CYS  19  -1.241   0.351  -4.793
  136   2HB   CYS  19          3HB       CYS  19  -0.752   0.839  -6.417
  137    H    GLN  20           H        GLN  20  -2.524   2.280  -2.972
  138    HA   GLN  20           HA       GLN  20  -0.365   3.052  -1.047
  139   1HB   GLN  20          2HB       GLN  20  -3.349   2.692  -0.662
  140   2HB   GLN  20          3HB       GLN  20  -2.196   3.152   0.600
  141   1HG   GLN  20          2HG       GLN  20  -3.044   4.762  -1.830
  142   2HG   GLN  20          3HG       GLN  20  -3.241   5.183  -0.128
  143   1HE2  GLN  20          2HE2      GLN  20  -1.339   5.832  -2.906
  144   2HE2  GLN  20          1HE2      GLN  20   0.031   6.487  -2.011
  145    H    CYS  21           H        CYS  21   0.705   1.177  -1.861
  146    HA   CYS  21           HA       CYS  21  -0.328  -1.518  -1.378
  147   1HB   CYS  21          2HB       CYS  21   2.395  -0.406  -2.214
  148   2HB   CYS  21          3HB       CYS  21   1.988  -2.110  -2.055
  149    H    ASP  22           H        ASP  22  -0.638  -0.241   0.964
  150    HA   ASP  22           HA       ASP  22   1.358  -1.294   2.878
  151   1HB   ASP  22          2HB       ASP  22   1.800   0.899   3.821
  152   2HB   ASP  22          3HB       ASP  22   2.163   0.946   2.093
  153    H    GLU  23           H        GLU  23   0.751  -0.307   5.130
  154    HA   GLU  23           HA       GLU  23  -1.487  -1.765   5.997
  155   1HB   GLU  23          2HB       GLU  23   0.031   0.364   7.549
  156   2HB   GLU  23          3HB       GLU  23  -0.833  -1.033   8.197
  157   1HG   GLU  23          2HG       GLU  23   0.826  -2.518   6.978
  158   2HG   GLU  23          3HG       GLU  23   1.747  -1.063   6.561
  159    H    LEU  24           H        LEU  24  -1.515   1.600   5.005
  160    HA   LEU  24           HA       LEU  24  -3.959   2.184   6.664
  161   1HB   LEU  24          2HB       LEU  24  -1.956   4.062   5.363
  162   2HB   LEU  24          3HB       LEU  24  -3.332   4.539   6.353
  163    HG   LEU  24           HG       LEU  24  -0.892   2.984   7.319
  164   1HD1  LEU  24          1HD1      LEU  24  -1.871   5.804   7.928
  165   2HD1  LEU  24          2HD1      LEU  24  -0.426   5.017   8.603
  166   3HD1  LEU  24          3HD1      LEU  24  -0.505   5.387   6.874
  167   1HD2  LEU  24          1HD2      LEU  24  -2.846   2.262   8.615
  168   2HD2  LEU  24          2HD2      LEU  24  -1.850   3.337   9.595
  169   3HD2  LEU  24          3HD2      LEU  24  -3.345   3.952   8.856
  170    H    CYS  25           H        CYS  25  -3.386   1.125   3.665
  171    HA   CYS  25           HA       CYS  25  -4.406   2.969   1.893
  172   1HB   CYS  25          2HB       CYS  25  -4.389   1.234   0.355
  173   2HB   CYS  25          3HB       CYS  25  -3.143   0.850   1.547
  174    H    SER  26           H        SER  26  -6.402   0.645   3.736
  175    HA   SER  26           HA       SER  26  -8.757   1.033   2.111
  176   1HB   SER  26          2HB       SER  26  -9.865  -0.337   3.802
  177   2HB   SER  26          3HB       SER  26  -8.327  -1.044   3.294
  178    HG   SER  26           HG       SER  26  -8.578  -1.071   5.588
  179    H    TYR  27           H        TYR  27  -7.567   2.576   5.039
  180    HA   TYR  27           HA       TYR  27  -9.884   4.131   5.719
  181   1HB   TYR  27          2HB       TYR  27  -8.229   3.847   7.347
  182   2HB   TYR  27          3HB       TYR  27  -6.927   4.256   6.257
  183    HD1  TYR  27           1HD      TYR  27  -5.911   6.302   6.408
  184    HD2  TYR  27           2HD      TYR  27  -9.949   5.870   7.856
  185    HE1  TYR  27           1HE      TYR  27  -5.860   8.650   7.200
  186    HE2  TYR  27           2HE      TYR  27  -9.894   8.226   8.683
  187    HH   TYR  27           HH       TYR  27  -7.021  10.331   8.264
  188    H    TYR  28           H        TYR  28  -7.539   4.481   3.136
  189    HA   TYR  28           HA       TYR  28  -8.773   7.076   2.291
  190   1HB   TYR  28          2HB       TYR  28  -6.144   5.731   1.570
  191   2HB   TYR  28          3HB       TYR  28  -6.773   7.156   0.742
  192    HD1  TYR  28           1HD      TYR  28  -4.996   5.981   3.681
  193    HD2  TYR  28           2HD      TYR  28  -7.163   9.301   1.980
  194    HE1  TYR  28           1HE      TYR  28  -3.949   7.513   5.333
  195    HE2  TYR  28           2HE      TYR  28  -6.121  10.836   3.640
  196    HH   TYR  28           HH       TYR  28  -4.672  11.036   5.397
  197    H    GLN  29           H        GLN  29  -9.363   3.887   1.771
  198    HA   GLN  29           HA       GLN  29 -10.000   2.519   0.085
  199   1HB   GLN  29          2HB       GLN  29 -11.424   5.005  -0.950
  200   2HB   GLN  29          3HB       GLN  29 -11.800   3.328  -1.332
  201   1HG   GLN  29          2HG       GLN  29 -13.404   3.850   0.249
  202   2HG   GLN  29          3HG       GLN  29 -12.196   2.964   1.185
  203   1HE2  GLN  29          2HE2      GLN  29 -11.566   3.975   3.107
  204   2HE2  GLN  29          1HE2      GLN  29 -11.793   5.699   3.427
  205    H    SER  30           H        SER  30  -7.415   3.455  -0.326
  206    HA   SER  30           HA       SER  30  -7.161   3.764  -3.307
  207   1HB   SER  30          2HB       SER  30  -5.602   5.136  -1.091
  208   2HB   SER  30          3HB       SER  30  -5.186   5.206  -2.819
  209    HG   SER  30           HG       SER  30  -7.612   6.117  -1.629
  210    H    CYS  31           H        CYS  31  -6.910   1.328  -1.482
  211    HA   CYS  31           HA       CYS  31  -4.261   0.297  -1.510
  212   1HB   CYS  31          2HB       CYS  31  -6.870  -1.190  -1.956
  213   2HB   CYS  31          3HB       CYS  31  -5.349  -1.850  -1.344
  214    H    CYS  32           H        CYS  32  -3.427  -1.488  -2.924
  215    HA   CYS  32           HA       CYS  32  -3.165  -0.819  -5.635
  216   1HB   CYS  32          2HB       CYS  32  -3.023  -3.708  -5.262
  217   2HB   CYS  32          3HB       CYS  32  -1.779  -2.570  -5.738
  218    H    THR  33           H        THR  33  -3.911  -1.861  -7.584
  219    HA   THR  33           HA       THR  33  -6.687  -1.931  -7.946
  220    HB   THR  33           HB       THR  33  -6.144  -3.055 -10.138
  221    HG1  THR  33           1HG      THR  33  -3.942  -3.314 -10.578
  222   1HG2  THR  33          1HG2      THR  33  -6.055  -0.578  -9.897
  223   2HG2  THR  33          2HG2      THR  33  -4.338  -0.691  -9.450
  224   3HG2  THR  33          3HG2      THR  33  -4.875  -1.190 -11.067
  225    H    ASP  34           H        ASP  34  -4.607  -4.619  -7.028
  226    HA   ASP  34           HA       ASP  34  -7.055  -6.156  -6.406
  227   1HB   ASP  34          2HB       ASP  34  -6.077  -6.838  -8.668
  228   2HB   ASP  34          3HB       ASP  34  -4.678  -7.458  -7.781
  229    H    TYR  35           H        TYR  35  -5.434  -4.610  -4.672
  230    HA   TYR  35           HA       TYR  35  -3.472  -5.583  -3.137
  231   1HB   TYR  35          2HB       TYR  35  -4.590  -3.520  -2.608
  232   2HB   TYR  35          3HB       TYR  35  -6.082  -4.371  -2.203
  233    HD1  TYR  35           1HD      TYR  35  -2.809  -3.235  -0.943
  234    HD2  TYR  35           2HD      TYR  35  -6.282  -5.666  -0.085
  235    HE1  TYR  35           1HE      TYR  35  -2.155  -3.339   1.443
  236    HE2  TYR  35           2HE      TYR  35  -5.611  -5.763   2.301
  237    HH   TYR  35           HH       TYR  35  -4.093  -5.106   3.884
  238    H    THR  36           H        THR  36  -6.838  -6.816  -2.598
  239    HA   THR  36           HA       THR  36  -6.096  -8.529  -0.497
  240    HB   THR  36           HB       THR  36  -8.492  -9.234  -2.157
  241    HG1  THR  36           1HG      THR  36  -9.586  -7.450  -1.348
  242   1HG2  THR  36          1HG2      THR  36  -8.134 -10.312   0.059
  243   2HG2  THR  36          2HG2      THR  36  -8.031  -8.714   0.826
  244   3HG2  THR  36          3HG2      THR  36  -9.558  -9.267   0.095
  245    H    ALA  37           H        ALA  37  -5.468  -9.101  -3.825
  246    HA   ALA  37           HA       ALA  37  -4.777 -11.939  -3.169
  247   1HB   ALA  37          1HB       ALA  37  -5.259 -12.542  -5.479
  248   2HB   ALA  37          2HB       ALA  37  -6.695 -11.837  -4.708
  249   3HB   ALA  37          3HB       ALA  37  -5.725 -10.868  -5.841
  250    H    GLU  38           H        GLU  38  -3.567  -8.901  -4.356
  251    HA   GLU  38           HA       GLU  38  -0.992 -10.191  -5.208
  252   1HB   GLU  38          2HB       GLU  38  -2.393  -7.633  -6.050
  253   2HB   GLU  38          3HB       GLU  38  -0.727  -8.007  -6.493
  254   1HG   GLU  38          2HG       GLU  38  -3.048  -9.855  -7.188
  255   2HG   GLU  38          3HG       GLU  38  -2.509  -8.536  -8.222
  256    H    CYS  39           H        CYS  39  -2.261  -7.950  -2.813
  257    HA   CYS  39           HA       CYS  39   0.538  -7.328  -2.045
  258   1HB   CYS  39          2HB       CYS  39  -1.661  -5.434  -1.376
  259   2HB   CYS  39          3HB       CYS  39   0.047  -5.123  -1.527
  260    H    LYS  40           H        LYS  40  -2.359  -8.689  -1.031
  261    HA   LYS  40           HA       LYS  40  -2.831  -8.137   1.529
  262   1HB   LYS  40          2HB       LYS  40  -4.140  -9.615   0.179
  263   2HB   LYS  40          3HB       LYS  40  -2.889 -10.860   0.226
  264   1HG   LYS  40          2HG       LYS  40  -3.250 -11.221   2.617
  265   2HG   LYS  40          3HG       LYS  40  -4.302  -9.792   2.712
  266   1HD   LYS  40          2HD       LYS  40  -5.669 -11.801   2.720
  267   2HD   LYS  40          3HD       LYS  40  -5.940 -10.887   1.236
  268   1HE   LYS  40          2HE       LYS  40  -4.126 -12.479   0.196
  269   2HE   LYS  40          3HE       LYS  40  -4.390 -13.484   1.624
  270   1HZ   LYS  40          1HZ       LYS  40  -6.781 -13.540   0.963
  271   2HZ   LYS  40          2HZ       LYS  40  -6.419 -12.650  -0.377
  272   3HZ   LYS  40          3HZ       LYS  40  -5.819 -14.164  -0.209
  273    HA   PRO  41           HA       PRO  41   0.918  -9.247   3.917
  274   1HB   PRO  41          2HB       PRO  41  -1.126  -8.577   6.047
  275   2HB   PRO  41          3HB       PRO  41   0.611  -8.149   5.979
  276   1HG   PRO  41          2HG       PRO  41  -1.291  -6.322   5.331
  277   2HG   PRO  41          3HG       PRO  41   0.203  -6.459   4.347
  278   1HD   PRO  41          2HD       PRO  41  -2.552  -7.544   3.724
  279   2HD   PRO  41          3HD       PRO  41  -1.366  -6.769   2.648
  280    H    GLN  42           H        GLN  42   1.424 -11.308   4.546
  281    HA   GLN  42           HA       GLN  42  -0.593 -13.399   4.774
  282   1HB   GLN  42          2HB       GLN  42   2.415 -13.334   5.242
  283   2HB   GLN  42          3HB       GLN  42   1.425 -14.800   5.405
  284   1HG   GLN  42          2HG       GLN  42   0.731 -14.690   3.079
  285   2HG   GLN  42          3HG       GLN  42   1.556 -13.150   2.837
  286   1HE2  GLN  42          2HE2      GLN  42   1.890 -16.319   2.021
  287   2HE2  GLN  42          1HE2      GLN  42   3.657 -16.372   1.989
  288    H    VAL  43           H        VAL  43  -1.335 -14.445   6.580
  289    HA   VAL  43           HA       VAL  43  -0.627 -13.487   9.307
  290    HB   VAL  43           HB       VAL  43  -3.042 -13.187   9.835
  291   1HG1  VAL  43          1HG1      VAL  43  -1.584 -11.242   9.372
  292   2HG1  VAL  43          2HG1      VAL  43  -2.099 -11.277   7.671
  293   3HG1  VAL  43          3HG1      VAL  43  -3.282 -10.958   8.952
  294   1HG2  VAL  43          1HG2      VAL  43  -4.694 -12.806   8.088
  295   2HG2  VAL  43          2HG2      VAL  43  -3.513 -13.178   6.821
  296   3HG2  VAL  43          3HG2      VAL  43  -4.056 -14.448   7.942
  297    H    THR  44           H        THR  44  -1.591 -14.776  11.030
  298    HA   THR  44           HA       THR  44  -1.442 -17.582  10.744
  299    HB   THR  44           HB       THR  44  -3.012 -16.026  12.838
  300    HG1  THR  44           1HG      THR  44  -1.067 -16.040  13.970
  301   1HG2  THR  44          1HG2      THR  44  -2.384 -17.928  14.317
  302   2HG2  THR  44          2HG2      THR  44  -3.400 -18.464  12.975
  303   3HG2  THR  44          3HG2      THR  44  -1.645 -18.761  12.929
  304    H    ARG  45           H        ARG  45  -2.801 -19.049   9.906
  305    HA   ARG  45           HA       ARG  45  -5.733 -18.687   9.813
  306   1HB   ARG  45          2HB       ARG  45  -4.317 -17.606   7.721
  307   2HB   ARG  45          3HB       ARG  45  -4.327 -19.266   7.199
  308   1HG   ARG  45          2HG       ARG  45  -6.235 -18.587   6.156
  309   2HG   ARG  45          3HG       ARG  45  -6.987 -19.007   7.701
  310   1HD   ARG  45          2HD       ARG  45  -6.173 -16.258   6.682
  311   2HD   ARG  45          3HD       ARG  45  -7.806 -16.856   6.979
  312    HE   ARG  45           HE       ARG  45  -5.784 -16.501   9.181
  313   1HH1  ARG  45          1HH2      ARG  45  -9.015 -15.703   8.055
  314   2HH1  ARG  45          2HH2      ARG  45  -9.419 -14.942   9.570
  315   1HH2  ARG  45          1HH1      ARG  45  -6.333 -15.597  10.990
  316   2HH2  ARG  45          2HH1      ARG  45  -7.915 -14.877  11.224
  317    H    GLY  46           H        GLY  46  -6.834 -20.597   8.954
  318   1HA   GLY  46          2HA       GLY  46  -5.461 -23.179   9.468
  319   2HA   GLY  46          3HA       GLY  46  -7.192 -22.918   9.251
  320    H    ASP  47           H        ASP  47  -5.109 -21.404   6.951
  321    HA   ASP  47           HA       ASP  47  -5.172 -23.475   4.892
  322   1HB   ASP  47          2HB       ASP  47  -7.455 -22.351   4.871
  323   2HB   ASP  47          3HB       ASP  47  -6.644 -20.826   4.524
  324    H    VAL  48           H        VAL  48  -4.225 -22.241   2.759
  325    HA   VAL  48           HA       VAL  48  -1.921 -20.542   3.683
  326    HB   VAL  48           HB       VAL  48  -0.539 -21.686   1.984
  327   1HG1  VAL  48          1HG1      VAL  48  -0.090 -23.667   3.325
  328   2HG1  VAL  48          2HG1      VAL  48  -0.433 -22.283   4.377
  329   3HG1  VAL  48          3HG1      VAL  48  -1.671 -23.531   4.123
  330   1HG2  VAL  48          1HG2      VAL  48  -2.771 -23.762   1.861
  331   2HG2  VAL  48          2HG2      VAL  48  -2.328 -22.652   0.544
  332   3HG2  VAL  48          3HG2      VAL  48  -1.171 -23.868   1.103
  333    H    PHE  49           H        PHE  49  -1.011 -19.076   2.348
  334    HA   PHE  49           HA       PHE  49  -2.166 -18.411  -0.279
  335   1HB   PHE  49          2HB       PHE  49  -3.653 -17.185   1.194
  336   2HB   PHE  49          3HB       PHE  49  -2.299 -16.598   2.166
  337    HD1  PHE  49           1HD      PHE  49  -1.191 -14.568   1.620
  338    HD2  PHE  49           2HD      PHE  49  -3.804 -16.410  -1.276
  339    HE1  PHE  49           1HE      PHE  49  -0.952 -12.588   0.147
  340    HE2  PHE  49           2HE      PHE  49  -3.571 -14.414  -2.744
  341    HZ   PHE  49           HZ       PHE  49  -2.138 -12.507  -2.033
  342    H    THR  50           H        THR  50  -0.577 -17.740  -1.596
  343    HA   THR  50           HA       THR  50   2.017 -16.711  -0.567
  344    HB   THR  50           HB       THR  50   3.201 -18.381  -2.022
  345    HG1  THR  50           1HG      THR  50   2.063 -20.230  -2.611
  346   1HG2  THR  50          1HG2      THR  50   3.133 -20.230  -0.475
  347   2HG2  THR  50          2HG2      THR  50   3.015 -18.721   0.443
  348   3HG2  THR  50          3HG2      THR  50   1.564 -19.712   0.173
  349    H    MET  51           H        MET  51   3.508 -16.170  -2.367
  350    HA   MET  51           HA       MET  51   2.420 -14.160  -4.025
  351   1HB   MET  51          2HB       MET  51   5.112 -15.581  -4.136
  352   2HB   MET  51          3HB       MET  51   4.718 -14.112  -5.031
  353   1HG   MET  51          2HG       MET  51   4.362 -12.872  -2.953
  354   2HG   MET  51          3HG       MET  51   4.589 -14.347  -2.000
  355   1HE   MET  51          1HE       MET  51   7.971 -11.985  -4.108
  356   2HE   MET  51          2HE       MET  51   6.638 -12.705  -5.034
  357   3HE   MET  51          3HE       MET  51   6.313 -11.394  -3.869
  Start of MODEL    4
    1   1H    ASP   1          1H        ASP   1  -5.296   3.518 -16.141
    2   2H    ASP   1          2H        ASP   1  -4.785   4.784 -15.240
    3   3H    ASP   1          3H        ASP   1  -4.447   4.742 -16.845
    4    HA   ASP   1           HA       ASP   1  -3.087   2.752 -16.526
    5   1HB   ASP   1          2HB       ASP   1  -2.267   5.244 -14.974
    6   2HB   ASP   1          3HB       ASP   1  -1.177   3.911 -15.388
    7    H    GLN   2           H        GLN   2  -1.764   1.546 -14.937
    8    HA   GLN   2           HA       GLN   2  -2.883   1.307 -12.196
    9   1HB   GLN   2          2HB       GLN   2  -2.720  -0.975 -14.219
   10   2HB   GLN   2          3HB       GLN   2  -2.992  -1.183 -12.489
   11   1HG   GLN   2          2HG       GLN   2  -5.092   0.164 -12.668
   12   2HG   GLN   2          3HG       GLN   2  -4.868   0.230 -14.422
   13   1HE2  GLN   2          2HE2      GLN   2  -5.275  -1.700 -15.681
   14   2HE2  GLN   2          1HE2      GLN   2  -5.995  -3.124 -14.927
   15    H    GLU   3           H        GLU   3  -1.589  -0.216 -10.881
   16    HA   GLU   3           HA       GLU   3   1.186  -0.786 -11.742
   17   1HB   GLU   3          2HB       GLU   3   0.506   0.608  -9.113
   18   2HB   GLU   3          3HB       GLU   3   2.093  -0.028  -9.588
   19   1HG   GLU   3          2HG       GLU   3   1.986   1.555 -11.593
   20   2HG   GLU   3          3HG       GLU   3   0.621   2.342 -10.787
   21    H    SER   4           H        SER   4   2.240  -2.262 -10.005
   22    HA   SER   4           HA       SER   4   0.269  -4.035  -8.661
   23   1HB   SER   4          2HB       SER   4   1.085  -6.009  -9.627
   24   2HB   SER   4          3HB       SER   4   0.745  -4.915 -10.974
   25    HG   SER   4           HG       SER   4   2.936  -4.539 -11.206
   26    H    CYS   5           H        CYS   5   1.351  -5.693  -7.234
   27    HA   CYS   5           HA       CYS   5   2.959  -4.093  -5.451
   28   1HB   CYS   5          2HB       CYS   5   0.947  -5.635  -5.029
   29   2HB   CYS   5          3HB       CYS   5   2.125  -6.957  -4.978
   30    H    LYS   6           H        LYS   6   4.260  -5.951  -7.904
   31    HA   LYS   6           HA       LYS   6   5.983  -7.699  -6.403
   32   1HB   LYS   6          2HB       LYS   6   5.842  -6.843  -9.293
   33   2HB   LYS   6          3HB       LYS   6   7.336  -7.576  -8.708
   34   1HG   LYS   6          2HG       LYS   6   6.040  -9.340  -9.607
   35   2HG   LYS   6          3HG       LYS   6   6.112  -9.534  -7.855
   36   1HD   LYS   6          2HD       LYS   6   3.910 -10.103  -8.581
   37   2HD   LYS   6          3HD       LYS   6   3.778  -8.577  -7.703
   38   1HE   LYS   6          2HE       LYS   6   3.743  -7.342  -9.869
   39   2HE   LYS   6          3HE       LYS   6   3.951  -8.866 -10.743
   40   1HZ   LYS   6          1HZ       LYS   6   1.626  -8.193  -9.014
   41   2HZ   LYS   6          2HZ       LYS   6   1.619  -8.213 -10.661
   42   3HZ   LYS   6          3HZ       LYS   6   1.814  -9.599  -9.808
   43    H    GLY   7           H        GLY   7   7.509  -7.173  -5.107
   44   1HA   GLY   7          2HA       GLY   7   9.490  -6.280  -4.288
   45   2HA   GLY   7          3HA       GLY   7   9.619  -5.221  -5.700
   46    H    ARG   8           H        ARG   8   6.560  -5.057  -4.048
   47    HA   ARG   8           HA       ARG   8   7.352  -2.466  -2.719
   48   1HB   ARG   8          2HB       ARG   8   4.981  -3.038  -4.545
   49   2HB   ARG   8          3HB       ARG   8   5.226  -1.559  -3.621
   50   1HG   ARG   8          2HG       ARG   8   7.402  -1.191  -4.831
   51   2HG   ARG   8          3HG       ARG   8   7.037  -2.614  -5.823
   52   1HD   ARG   8          2HD       ARG   8   6.402  -0.648  -7.028
   53   2HD   ARG   8          3HD       ARG   8   4.932  -1.543  -6.583
   54    HE   ARG   8           HE       ARG   8   5.274   0.287  -4.500
   55   1HH1  ARG   8          2HH2      ARG   8   4.710   0.604  -7.936
   56   2HH1  ARG   8          1HH2      ARG   8   3.716   2.025  -7.705
   57   1HH2  ARG   8          2HH1      ARG   8   4.260   2.050  -4.285
   58   2HH2  ARG   8          1HH1      ARG   8   3.623   2.964  -5.665
   59    H    CYS   9           H        CYS   9   5.104  -5.208  -2.482
   60    HA   CYS   9           HA       CYS   9   3.269  -4.313  -0.760
   61   1HB   CYS   9          2HB       CYS   9   4.655  -6.964  -0.285
   62   2HB   CYS   9          3HB       CYS   9   2.957  -6.542  -0.010
   63    H    THR  10           H        THR  10   3.059  -3.391   1.109
   64    HA   THR  10           HA       THR  10   3.352  -2.570   3.150
   65    HB   THR  10           HB       THR  10   5.508  -4.481   3.992
   66    HG1  THR  10           1HG      THR  10   4.122  -5.857   3.007
   67   1HG2  THR  10          1HG2      THR  10   4.562  -2.819   5.622
   68   2HG2  THR  10          2HG2      THR  10   2.944  -3.482   5.322
   69   3HG2  THR  10          3HG2      THR  10   4.199  -4.491   6.074
   70    H    GLU  11           H        GLU  11   4.921  -1.541   0.924
   71    HA   GLU  11           HA       GLU  11   7.504  -0.681   1.717
   72   1HB   GLU  11          2HB       GLU  11   7.197   1.097   0.021
   73   2HB   GLU  11          3HB       GLU  11   6.914  -0.512  -0.587
   74   1HG   GLU  11          2HG       GLU  11   4.454  -0.124  -0.526
   75   2HG   GLU  11          3HG       GLU  11   4.713   1.446   0.244
   76    H    GLY  12           H        GLY  12   4.572   0.421   3.084
   77   1HA   GLY  12          2HA       GLY  12   4.314   2.087   4.728
   78   2HA   GLY  12          3HA       GLY  12   5.778   2.908   4.217
   79    H    PHE  13           H        PHE  13   2.701   3.341   4.441
   80    HA   PHE  13           HA       PHE  13   1.717   4.090   1.896
   81   1HB   PHE  13          2HB       PHE  13   0.007   3.652   3.314
   82   2HB   PHE  13          3HB       PHE  13   0.845   4.291   4.734
   83    HD1  PHE  13           1HD      PHE  13  -1.594   4.987   2.102
   84    HD2  PHE  13           2HD      PHE  13   0.854   6.780   5.172
   85    HE1  PHE  13           1HE      PHE  13  -2.979   7.020   2.029
   86    HE2  PHE  13           2HE      PHE  13  -0.511   8.841   5.054
   87    HZ   PHE  13           HZ       PHE  13  -2.414   8.977   3.469
   88    H    ASN  14           H        ASN  14   1.231   5.909   0.945
   89    HA   ASN  14           HA       ASN  14   1.514   8.569   1.935
   90   1HB   ASN  14          2HB       ASN  14   3.882   8.359   1.376
   91   2HB   ASN  14          3HB       ASN  14   3.482   7.612  -0.178
   92   1HD2  ASN  14          2HD2      ASN  14   5.059   9.449  -0.805
   93   2HD2  ASN  14          1HD2      ASN  14   4.260  10.954  -1.242
   94    H    VAL  15           H        VAL  15  -0.431   9.243   1.189
   95    HA   VAL  15           HA       VAL  15  -1.879   7.839  -0.805
   96    HB   VAL  15           HB       VAL  15  -2.776   9.040   1.157
   97   1HG1  VAL  15          1HG1      VAL  15  -1.626  11.152   0.972
   98   2HG1  VAL  15          2HG1      VAL  15  -2.568  11.549  -0.495
   99   3HG1  VAL  15          3HG1      VAL  15  -3.380  11.340   1.079
  100   1HG2  VAL  15          1HG2      VAL  15  -4.205   8.100  -0.540
  101   2HG2  VAL  15          2HG2      VAL  15  -4.895   9.546   0.210
  102   3HG2  VAL  15          3HG2      VAL  15  -4.200   9.654  -1.421
  103    H    ASP  16           H        ASP  16   0.468  10.301  -1.309
  104    HA   ASP  16           HA       ASP  16  -0.489  11.196  -3.912
  105   1HB   ASP  16          2HB       ASP  16   1.000  12.497  -2.376
  106   2HB   ASP  16          3HB       ASP  16   2.286  11.323  -2.703
  107    H    LYS  17           H        LYS  17   1.108   8.285  -2.871
  108    HA   LYS  17           HA       LYS  17   2.539   7.671  -5.339
  109   1HB   LYS  17          2HB       LYS  17   1.559   5.904  -3.050
  110   2HB   LYS  17          3HB       LYS  17   2.557   5.330  -4.393
  111   1HG   LYS  17          2HG       LYS  17   4.386   6.805  -3.763
  112   2HG   LYS  17          3HG       LYS  17   3.412   7.526  -2.464
  113   1HD   LYS  17          2HD       LYS  17   3.276   5.337  -1.319
  114   2HD   LYS  17          3HD       LYS  17   4.187   4.580  -2.645
  115   1HE   LYS  17          2HE       LYS  17   6.132   6.020  -2.156
  116   2HE   LYS  17          3HE       LYS  17   5.253   6.786  -0.821
  117   1HZ   LYS  17          1HZ       LYS  17   6.713   4.997  -0.043
  118   2HZ   LYS  17          2HZ       LYS  17   5.162   4.581   0.275
  119   3HZ   LYS  17          3HZ       LYS  17   5.952   3.907  -0.996
  120    H    LYS  18           H        LYS  18   1.989   6.005  -6.876
  121    HA   LYS  18           HA       LYS  18  -0.808   6.182  -7.729
  122   1HB   LYS  18          2HB       LYS  18   1.751   5.275  -8.973
  123   2HB   LYS  18          3HB       LYS  18   0.234   4.642  -9.637
  124   1HG   LYS  18          2HG       LYS  18   0.887   6.615 -10.863
  125   2HG   LYS  18          3HG       LYS  18  -0.590   6.958  -9.946
  126   1HD   LYS  18          2HD       LYS  18   0.796   8.102  -8.205
  127   2HD   LYS  18          3HD       LYS  18   2.248   7.792  -9.176
  128   1HE   LYS  18          2HE       LYS  18   1.307   9.148 -11.016
  129   2HE   LYS  18          3HE       LYS  18  -0.187   9.382 -10.099
  130   1HZ   LYS  18          1HZ       LYS  18   1.128  10.544  -8.392
  131   2HZ   LYS  18          2HZ       LYS  18   2.494  10.361  -9.270
  132   3HZ   LYS  18          3HZ       LYS  18   1.279  11.289  -9.838
  133    H    CYS  19           H        CYS  19   0.715   4.053  -5.689
  134    HA   CYS  19           HA       CYS  19  -1.788   2.565  -5.447
  135   1HB   CYS  19          2HB       CYS  19  -0.988   0.427  -5.342
  136   2HB   CYS  19          3HB       CYS  19  -0.162   1.028  -6.772
  137    H    GLN  20           H        GLN  20  -2.173   2.005  -3.342
  138    HA   GLN  20           HA       GLN  20  -0.150   2.785  -1.265
  139   1HB   GLN  20          2HB       GLN  20  -3.186   2.771  -1.181
  140   2HB   GLN  20          3HB       GLN  20  -2.168   2.800   0.264
  141   1HG   GLN  20          2HG       GLN  20  -2.848   5.067  -0.250
  142   2HG   GLN  20          3HG       GLN  20  -1.096   4.877  -0.388
  143   1HE2  GLN  20          2HE2      GLN  20  -0.436   6.344  -2.017
  144   2HE2  GLN  20          1HE2      GLN  20  -1.249   6.426  -3.578
  145    H    CYS  21           H        CYS  21   0.729   0.778  -2.254
  146    HA   CYS  21           HA       CYS  21  -0.418  -1.814  -1.675
  147   1HB   CYS  21          2HB       CYS  21   2.413  -0.887  -2.385
  148   2HB   CYS  21          3HB       CYS  21   1.851  -2.552  -2.382
  149    H    ASP  22           H        ASP  22  -0.653  -0.450   0.688
  150    HA   ASP  22           HA       ASP  22   1.220  -1.674   2.611
  151   1HB   ASP  22          2HB       ASP  22   2.233   0.493   1.791
  152   2HB   ASP  22          3HB       ASP  22   0.797   1.342   2.389
  153    H    GLU  23           H        GLU  23   0.614  -1.011   4.884
  154    HA   GLU  23           HA       GLU  23  -1.788  -2.169   5.551
  155   1HB   GLU  23          2HB       GLU  23  -0.229  -0.205   7.270
  156   2HB   GLU  23          3HB       GLU  23  -1.271  -1.518   7.821
  157   1HG   GLU  23          2HG       GLU  23   0.328  -3.151   6.735
  158   2HG   GLU  23          3HG       GLU  23   1.407  -1.794   6.376
  159    H    LEU  24           H        LEU  24  -1.282   1.366   5.264
  160    HA   LEU  24           HA       LEU  24  -3.813   1.990   6.617
  161   1HB   LEU  24          2HB       LEU  24  -1.731   3.735   5.257
  162   2HB   LEU  24          3HB       LEU  24  -3.112   4.346   6.156
  163    HG   LEU  24           HG       LEU  24  -0.856   2.677   7.339
  164   1HD1  LEU  24          1HD1      LEU  24  -0.259   4.766   8.504
  165   2HD1  LEU  24          2HD1      LEU  24  -0.167   4.961   6.751
  166   3HD1  LEU  24          3HD1      LEU  24  -1.553   5.628   7.638
  167   1HD2  LEU  24          1HD2      LEU  24  -1.863   3.324   9.532
  168   2HD2  LEU  24          2HD2      LEU  24  -3.254   4.018   8.670
  169   3HD2  LEU  24          3HD2      LEU  24  -2.923   2.270   8.599
  170    H    CYS  25           H        CYS  25  -3.360   0.967   3.460
  171    HA   CYS  25           HA       CYS  25  -4.553   3.033   1.987
  172   1HB   CYS  25          2HB       CYS  25  -4.605   1.603   0.201
  173   2HB   CYS  25          3HB       CYS  25  -3.262   1.005   1.189
  174    H    SER  26           H        SER  26  -6.283   0.378   3.659
  175    HA   SER  26           HA       SER  26  -8.791   0.686   2.411
  176   1HB   SER  26          2HB       SER  26  -8.204  -0.178   5.264
  177   2HB   SER  26          3HB       SER  26  -9.702  -0.496   4.362
  178    HG   SER  26           HG       SER  26  -8.239  -2.272   4.287
  179    H    TYR  27           H        TYR  27  -7.374   2.602   4.978
  180    HA   TYR  27           HA       TYR  27  -9.750   4.046   5.792
  181   1HB   TYR  27          2HB       TYR  27  -8.006   3.800   7.335
  182   2HB   TYR  27          3HB       TYR  27  -6.776   4.242   6.180
  183    HD1  TYR  27           1HD      TYR  27  -5.647   6.139   6.637
  184    HD2  TYR  27           2HD      TYR  27  -9.827   5.922   7.679
  185    HE1  TYR  27           1HE      TYR  27  -5.534   8.451   7.534
  186    HE2  TYR  27           2HE      TYR  27  -9.711   8.230   8.610
  187    HH   TYR  27           HH       TYR  27  -8.395  10.066   8.999
  188    H    TYR  28           H        TYR  28  -7.750   4.284   2.972
  189    HA   TYR  28           HA       TYR  28  -8.984   6.925   2.244
  190   1HB   TYR  28          2HB       TYR  28  -6.381   5.615   1.376
  191   2HB   TYR  28          3HB       TYR  28  -7.069   7.054   0.622
  192    HD1  TYR  28           1HD      TYR  28  -5.264   5.779   3.564
  193    HD2  TYR  28           2HD      TYR  28  -7.240   9.194   1.805
  194    HE1  TYR  28           1HE      TYR  28  -4.133   7.282   5.188
  195    HE2  TYR  28           2HE      TYR  28  -6.116  10.690   3.439
  196    HH   TYR  28           HH       TYR  28  -4.675  10.829   5.219
  197    H    GLN  29           H        GLN  29  -8.827   3.580   1.379
  198    HA   GLN  29           HA       GLN  29  -9.615   2.284  -0.226
  199   1HB   GLN  29          2HB       GLN  29 -11.480   4.506  -1.111
  200   2HB   GLN  29          3HB       GLN  29 -11.599   2.785  -1.439
  201   1HG   GLN  29          2HG       GLN  29 -13.135   3.003   0.250
  202   2HG   GLN  29          3HG       GLN  29 -11.710   2.465   1.142
  203   1HE2  GLN  29          2HE2      GLN  29 -11.358   3.666   3.030
  204   2HE2  GLN  29          1HE2      GLN  29 -11.887   5.342   3.235
  205    H    SER  30           H        SER  30  -7.615   4.704  -0.955
  206    HA   SER  30           HA       SER  30  -7.526   4.737  -3.819
  207   1HB   SER  30          2HB       SER  30  -5.341   5.369  -1.794
  208   2HB   SER  30          3HB       SER  30  -5.436   5.946  -3.473
  209    HG   SER  30           HG       SER  30  -6.189   7.524  -2.032
  210    H    CYS  31           H        CYS  31  -6.876   2.152  -1.941
  211    HA   CYS  31           HA       CYS  31  -4.336   1.235  -2.233
  212   1HB   CYS  31          2HB       CYS  31  -6.604   0.383  -1.042
  213   2HB   CYS  31          3HB       CYS  31  -6.552  -0.756  -2.400
  214    H    CYS  32           H        CYS  32  -3.393  -0.657  -3.303
  215    HA   CYS  32           HA       CYS  32  -3.381  -0.687  -6.141
  216   1HB   CYS  32          2HB       CYS  32  -2.468  -3.091  -5.750
  217   2HB   CYS  32          3HB       CYS  32  -1.525  -1.703  -5.226
  218    H    THR  33           H        THR  33  -4.503  -1.795  -7.683
  219    HA   THR  33           HA       THR  33  -7.241  -2.176  -7.195
  220    HB   THR  33           HB       THR  33  -7.310  -2.969  -9.593
  221    HG1  THR  33           1HG      THR  33  -5.383  -2.813 -10.732
  222   1HG2  THR  33          1HG2      THR  33  -5.683  -0.435  -9.092
  223   2HG2  THR  33          2HG2      THR  33  -6.648  -0.819 -10.534
  224   3HG2  THR  33          3HG2      THR  33  -7.451  -0.565  -8.978
  225    H    ASP  34           H        ASP  34  -4.896  -4.535  -6.609
  226    HA   ASP  34           HA       ASP  34  -7.043  -6.554  -6.257
  227   1HB   ASP  34          2HB       ASP  34  -5.765  -6.883  -8.437
  228   2HB   ASP  34          3HB       ASP  34  -4.332  -7.216  -7.456
  229    H    TYR  35           H        TYR  35  -5.499  -4.711  -4.441
  230    HA   TYR  35           HA       TYR  35  -3.546  -5.542  -2.882
  231   1HB   TYR  35          2HB       TYR  35  -4.823  -3.541  -2.350
  232   2HB   TYR  35          3HB       TYR  35  -6.235  -4.504  -1.937
  233    HD1  TYR  35           1HD      TYR  35  -2.920  -3.322  -0.721
  234    HD2  TYR  35           2HD      TYR  35  -6.464  -5.599   0.218
  235    HE1  TYR  35           1HE      TYR  35  -2.317  -3.266   1.673
  236    HE2  TYR  35           2HE      TYR  35  -5.851  -5.537   2.629
  237    HH   TYR  35           HH       TYR  35  -2.964  -3.779   3.802
  238    H    THR  36           H        THR  36  -6.806  -7.035  -2.342
  239    HA   THR  36           HA       THR  36  -5.944  -8.549  -0.099
  240    HB   THR  36           HB       THR  36  -8.065  -9.948  -0.639
  241    HG1  THR  36           1HG      THR  36  -9.484  -8.850  -2.013
  242   1HG2  THR  36          1HG2      THR  36  -8.309  -6.949  -0.166
  243   2HG2  THR  36          2HG2      THR  36  -9.446  -8.216   0.347
  244   3HG2  THR  36          3HG2      THR  36  -7.827  -8.133   1.070
  245    H    ALA  37           H        ALA  37  -5.222  -9.201  -3.365
  246    HA   ALA  37           HA       ALA  37  -4.144 -11.868  -2.526
  247   1HB   ALA  37          1HB       ALA  37  -4.370 -12.586  -4.863
  248   2HB   ALA  37          2HB       ALA  37  -5.944 -12.132  -4.179
  249   3HB   ALA  37          3HB       ALA  37  -5.102 -11.022  -5.286
  250    H    GLU  38           H        GLU  38  -3.468  -8.776  -4.137
  251    HA   GLU  38           HA       GLU  38  -0.737  -9.586  -4.889
  252   1HB   GLU  38          2HB       GLU  38  -2.532  -7.208  -5.330
  253   2HB   GLU  38          3HB       GLU  38  -0.799  -6.944  -5.429
  254   1HG   GLU  38          2HG       GLU  38  -2.146  -9.145  -7.012
  255   2HG   GLU  38          3HG       GLU  38  -1.996  -7.485  -7.601
  256    H    CYS  39           H        CYS  39  -2.138  -7.316  -2.435
  257    HA   CYS  39           HA       CYS  39   0.654  -6.765  -1.546
  258   1HB   CYS  39          2HB       CYS  39  -1.386  -4.692  -1.128
  259   2HB   CYS  39          3HB       CYS  39   0.301  -4.518  -1.503
  260    H    LYS  40           H        LYS  40  -2.308  -7.952  -0.438
  261    HA   LYS  40           HA       LYS  40  -2.723  -7.308   2.099
  262   1HB   LYS  40          2HB       LYS  40  -4.048  -8.902   0.999
  263   2HB   LYS  40          3HB       LYS  40  -2.734 -10.064   0.876
  264   1HG   LYS  40          2HG       LYS  40  -2.707 -10.285   3.366
  265   2HG   LYS  40          3HG       LYS  40  -4.069  -9.153   3.476
  266   1HD   LYS  40          2HD       LYS  40  -4.143 -11.765   1.899
  267   2HD   LYS  40          3HD       LYS  40  -4.568 -11.668   3.612
  268   1HE   LYS  40          2HE       LYS  40  -6.405 -10.166   3.183
  269   2HE   LYS  40          3HE       LYS  40  -5.932  -9.976   1.489
  270   1HZ   LYS  40          1HZ       LYS  40  -6.796 -12.559   2.670
  271   2HZ   LYS  40          2HZ       LYS  40  -7.765 -11.588   1.787
  272   3HZ   LYS  40          3HZ       LYS  40  -6.458 -12.275   1.089
  273    HA   PRO  41           HA       PRO  41   1.260  -8.224   4.149
  274   1HB   PRO  41          2HB       PRO  41   0.777  -6.833   6.459
  275   2HB   PRO  41          3HB       PRO  41   1.203  -6.047   4.908
  276   1HG   PRO  41          2HG       PRO  41  -1.537  -6.365   6.147
  277   2HG   PRO  41          3HG       PRO  41  -0.837  -4.940   5.297
  278   1HD   PRO  41          2HD       PRO  41  -2.526  -6.734   4.099
  279   2HD   PRO  41          3HD       PRO  41  -1.303  -5.767   3.228
  280    H    GLN  42           H        GLN  42   1.840  -9.264   6.271
  281    HA   GLN  42           HA       GLN  42   0.305 -11.659   6.661
  282   1HB   GLN  42          2HB       GLN  42   2.622 -10.467   8.243
  283   2HB   GLN  42          3HB       GLN  42   1.963 -12.097   8.486
  284   1HG   GLN  42          2HG       GLN  42   2.478 -12.653   6.114
  285   2HG   GLN  42          3HG       GLN  42   3.243 -11.076   5.905
  286   1HE2  GLN  42          2HE2      GLN  42   4.330 -13.971   5.856
  287   2HE2  GLN  42          1HE2      GLN  42   5.706 -13.875   6.956
  288    H    VAL  43           H        VAL  43  -0.858 -12.427   8.394
  289    HA   VAL  43           HA       VAL  43  -1.630 -10.664  10.656
  290    HB   VAL  43           HB       VAL  43  -3.670 -12.033   8.842
  291   1HG1  VAL  43          1HG1      VAL  43  -4.034 -10.237  11.285
  292   2HG1  VAL  43          2HG1      VAL  43  -5.339 -10.801  10.221
  293   3HG1  VAL  43          3HG1      VAL  43  -4.434 -11.968  11.174
  294   1HG2  VAL  43          1HG2      VAL  43  -3.090  -9.058   9.181
  295   2HG2  VAL  43          2HG2      VAL  43  -2.869 -10.022   7.703
  296   3HG2  VAL  43          3HG2      VAL  43  -4.490  -9.743   8.323
  297    H    THR  44           H        THR  44  -1.890 -11.830  12.529
  298    HA   THR  44           HA       THR  44  -1.302 -14.716  12.493
  299    HB   THR  44           HB       THR  44  -0.184 -13.310  14.123
  300    HG1  THR  44           1HG      THR  44  -0.491 -14.676  15.797
  301   1HG2  THR  44          1HG2      THR  44  -2.908 -12.883  15.432
  302   2HG2  THR  44          2HG2      THR  44  -1.330 -12.412  16.088
  303   3HG2  THR  44          3HG2      THR  44  -1.942 -11.626  14.630
  304    H    ARG  45           H        ARG  45  -2.514 -16.317  13.501
  305    HA   ARG  45           HA       ARG  45  -5.430 -16.245  13.277
  306   1HB   ARG  45          2HB       ARG  45  -4.019 -18.265  12.880
  307   2HB   ARG  45          3HB       ARG  45  -3.532 -18.258  14.579
  308   1HG   ARG  45          2HG       ARG  45  -5.867 -18.704  15.271
  309   2HG   ARG  45          3HG       ARG  45  -6.402 -18.553  13.584
  310   1HD   ARG  45          2HD       ARG  45  -6.294 -20.874  14.146
  311   2HD   ARG  45          3HD       ARG  45  -4.994 -20.529  12.994
  312    HE   ARG  45           HE       ARG  45  -3.769 -20.268  15.482
  313   1HH1  ARG  45          1HH1      ARG  45  -5.474 -22.932  13.953
  314   2HH1  ARG  45          2HH1      ARG  45  -4.600 -24.116  14.887
  315   1HH2  ARG  45          2HH2      ARG  45  -2.753 -21.752  16.598
  316   2HH2  ARG  45          1HH2      ARG  45  -3.075 -23.464  16.380
  317    H    GLY  46           H        GLY  46  -3.120 -15.537  15.774
  318   1HA   GLY  46          2HA       GLY  46  -3.850 -14.241  17.752
  319   2HA   GLY  46          3HA       GLY  46  -5.239 -15.326  17.895
  320    H    ASP  47           H        ASP  47  -3.490 -17.662  17.141
  321    HA   ASP  47           HA       ASP  47  -1.428 -17.896  19.216
  322   1HB   ASP  47          2HB       ASP  47  -3.443 -18.623  20.431
  323   2HB   ASP  47          3HB       ASP  47  -3.864 -19.732  19.123
  324    H    VAL  48           H        VAL  48   0.268 -18.817  18.252
  325    HA   VAL  48           HA       VAL  48   0.073 -21.141  16.521
  326    HB   VAL  48           HB       VAL  48  -0.353 -19.306  14.916
  327   1HG1  VAL  48          1HG1      VAL  48   0.929 -17.472  15.956
  328   2HG1  VAL  48          2HG1      VAL  48   2.449 -18.299  15.550
  329   3HG1  VAL  48          3HG1      VAL  48   1.373 -17.723  14.264
  330   1HG2  VAL  48          1HG2      VAL  48   2.352 -20.590  14.416
  331   2HG2  VAL  48          2HG2      VAL  48   0.773 -21.383  14.188
  332   3HG2  VAL  48          3HG2      VAL  48   1.208 -19.967  13.221
  333    H    PHE  49           H        PHE  49   2.105 -22.238  16.352
  334    HA   PHE  49           HA       PHE  49   3.694 -21.941  18.683
  335   1HB   PHE  49          2HB       PHE  49   4.899 -23.840  17.953
  336   2HB   PHE  49          3HB       PHE  49   3.207 -24.077  17.535
  337    HD1  PHE  49           1HD      PHE  49   6.632 -23.699  16.265
  338    HD2  PHE  49           2HD      PHE  49   2.480 -24.032  15.131
  339    HE1  PHE  49           1HE      PHE  49   7.307 -24.249  13.941
  340    HE2  PHE  49           2HE      PHE  49   3.162 -24.556  12.803
  341    HZ   PHE  49           HZ       PHE  49   5.575 -24.670  12.205
  342    H    THR  50           H        THR  50   4.258 -20.603  15.476
  343    HA   THR  50           HA       THR  50   6.242 -18.818  16.585
  344    HB   THR  50           HB       THR  50   7.630 -20.839  15.993
  345    HG1  THR  50           1HG      THR  50   9.213 -19.567  15.074
  346   1HG2  THR  50          1HG2      THR  50   7.212 -20.003  13.096
  347   2HG2  THR  50          2HG2      THR  50   8.196 -21.341  13.725
  348   3HG2  THR  50          3HG2      THR  50   6.429 -21.415  13.830
  349    H    MET  51           H        MET  51   6.739 -17.055  15.202
  350    HA   MET  51           HA       MET  51   5.700 -16.775  12.526
  351   1HB   MET  51          2HB       MET  51   3.603 -16.342  13.714
  352   2HB   MET  51          3HB       MET  51   4.376 -15.107  14.715
  353   1HG   MET  51          2HG       MET  51   4.698 -13.653  12.858
  354   2HG   MET  51          3HG       MET  51   4.351 -14.929  11.683
  355   1HE   MET  51          1HE       MET  51   2.163 -15.529  10.736
  356   2HE   MET  51          2HE       MET  51   1.713 -16.300  12.274
  357   3HE   MET  51          3HE       MET  51   0.582 -15.194  11.464
  Start of MODEL    5
    1   1H    ASP   1          1H        ASP   1   3.072   0.230 -17.759
    2   2H    ASP   1          2H        ASP   1   3.498   1.757 -18.170
    3   3H    ASP   1          3H        ASP   1   3.194   1.383 -16.597
    4    HA   ASP   1           HA       ASP   1   1.389   2.621 -17.733
    5   1HB   ASP   1          2HB       ASP   1  -0.049   1.441 -19.275
    6   2HB   ASP   1          3HB       ASP   1   1.592   1.571 -19.920
    7    H    GLN   2           H        GLN   2   1.255  -0.883 -16.833
    8    HA   GLN   2           HA       GLN   2  -0.506  -0.135 -14.544
    9   1HB   GLN   2          2HB       GLN   2  -1.861  -0.905 -16.493
   10   2HB   GLN   2          3HB       GLN   2  -1.016  -2.456 -16.446
   11   1HG   GLN   2          2HG       GLN   2  -1.888  -2.841 -14.136
   12   2HG   GLN   2          3HG       GLN   2  -2.656  -1.252 -14.162
   13   1HE2  GLN   2          2HE2      GLN   2  -4.804  -1.199 -14.873
   14   2HE2  GLN   2          1HE2      GLN   2  -5.552  -2.513 -15.782
   15    H    GLU   3           H        GLU   3   1.430  -0.221 -13.360
   16    HA   GLU   3           HA       GLU   3   3.035  -2.617 -13.036
   17   1HB   GLU   3          2HB       GLU   3   2.753  -0.142 -11.268
   18   2HB   GLU   3          3HB       GLU   3   4.008  -1.377 -11.146
   19   1HG   GLU   3          2HG       GLU   3   4.999   0.461 -12.247
   20   2HG   GLU   3          3HG       GLU   3   4.802  -0.825 -13.431
   21    H    SER   4           H        SER   4   3.375  -3.511 -10.719
   22    HA   SER   4           HA       SER   4   0.923  -3.712  -9.097
   23   1HB   SER   4          2HB       SER   4   0.759  -6.087  -9.128
   24   2HB   SER   4          3HB       SER   4   0.728  -5.521 -10.807
   25    HG   SER   4           HG       SER   4   2.930  -6.092 -10.981
   26    H    CYS   5           H        CYS   5   1.360  -5.278  -7.176
   27    HA   CYS   5           HA       CYS   5   3.266  -3.851  -5.642
   28   1HB   CYS   5          2HB       CYS   5   1.004  -4.721  -5.025
   29   2HB   CYS   5          3HB       CYS   5   1.712  -6.334  -4.847
   30    H    LYS   6           H        LYS   6   4.064  -6.592  -7.512
   31    HA   LYS   6           HA       LYS   6   5.629  -8.046  -5.551
   32   1HB   LYS   6          2HB       LYS   6   5.531  -8.225  -8.578
   33   2HB   LYS   6          3HB       LYS   6   6.601  -9.204  -7.563
   34   1HG   LYS   6          2HG       LYS   6   4.857 -10.666  -7.673
   35   2HG   LYS   6          3HG       LYS   6   4.410  -9.780  -6.217
   36   1HD   LYS   6          2HD       LYS   6   2.427 -10.007  -7.441
   37   2HD   LYS   6          3HD       LYS   6   2.904  -8.335  -7.753
   38   1HE   LYS   6          2HE       LYS   6   3.991  -9.157  -9.911
   39   2HE   LYS   6          3HE       LYS   6   3.327 -10.760  -9.560
   40   1HZ   LYS   6          1HZ       LYS   6   1.084  -9.633  -9.514
   41   2HZ   LYS   6          2HZ       LYS   6   1.818  -8.275 -10.088
   42   3HZ   LYS   6          3HZ       LYS   6   1.804  -9.636 -10.994
   43    H    GLY   7           H        GLY   7   6.944  -6.791  -4.502
   44   1HA   GLY   7          2HA       GLY   7   9.417  -6.249  -4.438
   45   2HA   GLY   7          3HA       GLY   7   9.129  -5.273  -5.888
   46    H    ARG   8           H        ARG   8   6.422  -4.944  -3.901
   47    HA   ARG   8           HA       ARG   8   7.430  -2.380  -2.687
   48   1HB   ARG   8          2HB       ARG   8   4.796  -2.901  -4.130
   49   2HB   ARG   8          3HB       ARG   8   5.303  -1.396  -3.378
   50   1HG   ARG   8          2HG       ARG   8   7.230  -1.277  -4.998
   51   2HG   ARG   8          3HG       ARG   8   6.582  -2.725  -5.793
   52   1HD   ARG   8          2HD       ARG   8   5.877  -0.772  -7.013
   53   2HD   ARG   8          3HD       ARG   8   4.458  -1.528  -6.256
   54    HE   ARG   8           HE       ARG   8   4.976   0.283  -4.363
   55   1HH1  ARG   8          1HH2      ARG   8   5.068   0.941  -7.815
   56   2HH1  ARG   8          2HH2      ARG   8   4.757   2.635  -7.555
   57   1HH2  ARG   8          1HH1      ARG   8   4.596   2.252  -4.105
   58   2HH2  ARG   8          2HH1      ARG   8   4.460   3.398  -5.450
   59    H    CYS   9           H        CYS   9   4.911  -4.928  -2.322
   60    HA   CYS   9           HA       CYS   9   3.275  -3.895  -0.572
   61   1HB   CYS   9          2HB       CYS   9   4.308  -6.702  -0.146
   62   2HB   CYS   9          3HB       CYS   9   2.674  -6.077   0.092
   63    H    THR  10           H        THR  10   3.028  -3.160   1.359
   64    HA   THR  10           HA       THR  10   3.333  -2.397   3.427
   65    HB   THR  10           HB       THR  10   5.579  -4.257   4.170
   66    HG1  THR  10           1HG      THR  10   4.183  -5.669   3.282
   67   1HG2  THR  10          1HG2      THR  10   3.074  -3.308   5.645
   68   2HG2  THR  10          2HG2      THR  10   4.389  -4.299   6.316
   69   3HG2  THR  10          3HG2      THR  10   4.694  -2.622   5.862
   70    H    GLU  11           H        GLU  11   4.927  -1.397   1.092
   71    HA   GLU  11           HA       GLU  11   7.397  -0.325   2.002
   72   1HB   GLU  11          2HB       GLU  11   7.072   1.429   0.290
   73   2HB   GLU  11          3HB       GLU  11   6.917  -0.192  -0.331
   74   1HG   GLU  11          2HG       GLU  11   4.467   0.006  -0.416
   75   2HG   GLU  11          3HG       GLU  11   4.536   1.577   0.394
   76    H    GLY  12           H        GLY  12   4.214   0.601   2.982
   77   1HA   GLY  12          2HA       GLY  12   3.753   2.046   4.823
   78   2HA   GLY  12          3HA       GLY  12   5.242   2.949   4.523
   79    H    PHE  13           H        PHE  13   2.638   4.027   4.893
   80    HA   PHE  13           HA       PHE  13   1.245   4.597   2.465
   81   1HB   PHE  13          2HB       PHE  13   0.100   4.541   4.534
   82   2HB   PHE  13          3HB       PHE  13   1.208   5.704   5.285
   83    HD1  PHE  13           1HD      PHE  13  -1.353   5.321   2.573
   84    HD2  PHE  13           2HD      PHE  13   0.694   8.004   5.270
   85    HE1  PHE  13           1HE      PHE  13  -2.937   7.145   1.985
   86    HE2  PHE  13           2HE      PHE  13  -0.867   9.835   4.643
   87    HZ   PHE  13           HZ       PHE  13  -2.689   9.400   3.017
   88    H    ASN  14           H        ASN  14   1.257   6.196   1.065
   89    HA   ASN  14           HA       ASN  14   2.043   8.885   1.610
   90   1HB   ASN  14          2HB       ASN  14   4.341   7.991   1.253
   91   2HB   ASN  14          3HB       ASN  14   3.857   7.373  -0.332
   92   1HD2  ASN  14          2HD2      ASN  14   6.012   9.046  -0.231
   93   2HD2  ASN  14          1HD2      ASN  14   5.557  10.626  -0.867
   94    H    VAL  15           H        VAL  15  -0.105   9.199   0.944
   95    HA   VAL  15           HA       VAL  15  -1.335   7.943  -1.194
   96    HB   VAL  15           HB       VAL  15  -2.317   9.036   0.787
   97   1HG1  VAL  15          1HG1      VAL  15  -3.314  11.170   0.702
   98   2HG1  VAL  15          2HG1      VAL  15  -1.564  11.340   0.499
   99   3HG1  VAL  15          3HG1      VAL  15  -2.638  11.490  -0.919
  100   1HG2  VAL  15          1HG2      VAL  15  -3.857   9.326  -1.772
  101   2HG2  VAL  15          2HG2      VAL  15  -3.596   7.821  -0.849
  102   3HG2  VAL  15          3HG2      VAL  15  -4.499   9.155  -0.122
  103    H    ASP  16           H        ASP  16   0.969  10.300  -1.728
  104    HA   ASP  16           HA       ASP  16  -0.021  11.360  -4.253
  105   1HB   ASP  16          2HB       ASP  16   1.737  12.429  -2.860
  106   2HB   ASP  16          3HB       ASP  16   2.800  11.048  -3.179
  107    H    LYS  17           H        LYS  17   1.575   8.350  -3.286
  108    HA   LYS  17           HA       LYS  17   2.640   7.665  -5.890
  109   1HB   LYS  17          2HB       LYS  17   2.123   5.906  -3.448
  110   2HB   LYS  17          3HB       LYS  17   3.022   5.428  -4.894
  111   1HG   LYS  17          2HG       LYS  17   4.607   7.378  -4.439
  112   2HG   LYS  17          3HG       LYS  17   3.802   7.554  -2.861
  113   1HD   LYS  17          2HD       LYS  17   4.325   5.115  -2.411
  114   2HD   LYS  17          3HD       LYS  17   5.231   5.084  -3.942
  115   1HE   LYS  17          2HE       LYS  17   6.646   6.998  -3.007
  116   2HE   LYS  17          3HE       LYS  17   5.838   6.710  -1.451
  117   1HZ   LYS  17          1HZ       LYS  17   7.811   5.403  -1.430
  118   2HZ   LYS  17          2HZ       LYS  17   6.610   4.312  -1.742
  119   3HZ   LYS  17          3HZ       LYS  17   7.574   4.828  -2.942
  120    H    LYS  18           H        LYS  18   2.116   5.967  -7.241
  121    HA   LYS  18           HA       LYS  18  -0.580   5.854  -8.151
  122   1HB   LYS  18          2HB       LYS  18   1.990   4.456  -8.892
  123   2HB   LYS  18          3HB       LYS  18   0.470   3.844  -9.542
  124   1HG   LYS  18          2HG       LYS  18   1.380   5.321 -11.156
  125   2HG   LYS  18          3HG       LYS  18  -0.048   6.103 -10.453
  126   1HD   LYS  18          2HD       LYS  18   1.451   7.483  -9.015
  127   2HD   LYS  18          3HD       LYS  18   2.867   6.702  -9.754
  128   1HE   LYS  18          2HE       LYS  18   2.166   7.542 -11.979
  129   2HE   LYS  18          3HE       LYS  18   0.735   8.291 -11.257
  130   1HZ   LYS  18          1HZ       LYS  18   3.546   9.026 -10.619
  131   2HZ   LYS  18          2HZ       LYS  18   2.525   9.904 -11.538
  132   3HZ   LYS  18          3HZ       LYS  18   2.222   9.715  -9.948
  133    H    CYS  19           H        CYS  19   0.969   3.773  -5.830
  134    HA   CYS  19           HA       CYS  19  -1.672   2.513  -5.394
  135   1HB   CYS  19          2HB       CYS  19  -0.897   0.350  -5.057
  136   2HB   CYS  19          3HB       CYS  19  -0.222   0.814  -6.621
  137    H    GLN  20           H        GLN  20  -2.149   2.149  -3.301
  138    HA   GLN  20           HA       GLN  20  -0.148   2.930  -1.214
  139   1HB   GLN  20          2HB       GLN  20  -3.172   2.757  -1.074
  140   2HB   GLN  20          3HB       GLN  20  -2.089   3.174   0.272
  141   1HG   GLN  20          2HG       GLN  20  -2.626   4.787  -2.242
  142   2HG   GLN  20          3HG       GLN  20  -2.908   5.248  -0.557
  143   1HE2  GLN  20          2HE2      GLN  20  -0.812   5.819  -3.134
  144   2HE2  GLN  20          1HE2      GLN  20   0.510   6.407  -2.122
  145    H    CYS  21           H        CYS  21   0.834   1.008  -1.978
  146    HA   CYS  21           HA       CYS  21  -0.292  -1.637  -1.517
  147   1HB   CYS  21          2HB       CYS  21   2.494  -0.604  -2.223
  148   2HB   CYS  21          3HB       CYS  21   2.050  -2.301  -2.083
  149    H    ASP  22           H        ASP  22  -0.689  -0.367   0.825
  150    HA   ASP  22           HA       ASP  22   1.209  -1.481   2.809
  151   1HB   ASP  22          2HB       ASP  22   1.625   0.687   3.809
  152   2HB   ASP  22          3HB       ASP  22   2.068   0.761   2.103
  153    H    GLU  23           H        GLU  23   0.492  -0.543   5.069
  154    HA   GLU  23           HA       GLU  23  -1.830  -1.991   5.741
  155   1HB   GLU  23          2HB       GLU  23  -0.302   0.030   7.426
  156   2HB   GLU  23          3HB       GLU  23  -1.315  -1.293   8.011
  157   1HG   GLU  23          2HG       GLU  23   0.276  -2.921   6.920
  158   2HG   GLU  23          3HG       GLU  23   1.328  -1.565   6.504
  159    H    LEU  24           H        LEU  24  -1.721   1.433   4.874
  160    HA   LEU  24           HA       LEU  24  -4.177   2.009   6.502
  161   1HB   LEU  24          2HB       LEU  24  -2.231   3.900   5.152
  162   2HB   LEU  24          3HB       LEU  24  -3.599   4.345   6.167
  163    HG   LEU  24           HG       LEU  24  -1.078   2.898   7.070
  164   1HD1  LEU  24          1HD1      LEU  24  -2.243   5.615   7.816
  165   2HD1  LEU  24          2HD1      LEU  24  -0.712   4.919   8.393
  166   3HD1  LEU  24          3HD1      LEU  24  -0.900   5.355   6.688
  167   1HD2  LEU  24          1HD2      LEU  24  -2.936   2.004   8.390
  168   2HD2  LEU  24          2HD2      LEU  24  -2.014   3.138   9.376
  169   3HD2  LEU  24          3HD2      LEU  24  -3.567   3.644   8.673
  170    H    CYS  25           H        CYS  25  -3.419   1.316   3.227
  171    HA   CYS  25           HA       CYS  25  -5.117   3.137   1.904
  172   1HB   CYS  25          2HB       CYS  25  -4.852   1.820   0.033
  173   2HB   CYS  25          3HB       CYS  25  -3.405   1.497   1.002
  174    H    SER  26           H        SER  26  -6.023   0.214   3.644
  175    HA   SER  26           HA       SER  26  -8.675  -0.133   2.658
  176   1HB   SER  26          2HB       SER  26  -7.294  -1.765   3.976
  177   2HB   SER  26          3HB       SER  26  -7.617  -0.800   5.431
  178    HG   SER  26           HG       SER  26  -9.090  -2.565   5.154
  179    H    TYR  27           H        TYR  27  -7.392   2.260   4.841
  180    HA   TYR  27           HA       TYR  27 -10.090   3.234   5.647
  181   1HB   TYR  27          2HB       TYR  27  -8.711   3.345   7.488
  182   2HB   TYR  27          3HB       TYR  27  -7.267   3.677   6.557
  183    HD1  TYR  27           1HD      TYR  27  -6.467   5.840   6.213
  184    HD2  TYR  27           2HD      TYR  27 -10.463   5.272   7.728
  185    HE1  TYR  27           1HE      TYR  27  -6.687   8.293   6.519
  186    HE2  TYR  27           2HE      TYR  27 -10.666   7.736   8.091
  187    HH   TYR  27           HH       TYR  27  -8.027  10.012   7.253
  188    H    TYR  28           H        TYR  28  -7.182   4.342   3.795
  189    HA   TYR  28           HA       TYR  28  -8.426   6.800   2.953
  190   1HB   TYR  28          2HB       TYR  28  -5.933   5.307   2.111
  191   2HB   TYR  28          3HB       TYR  28  -6.440   6.797   1.313
  192    HD1  TYR  28           1HD      TYR  28  -4.660   5.462   4.142
  193    HD2  TYR  28           2HD      TYR  28  -6.765   8.919   2.658
  194    HE1  TYR  28           1HE      TYR  28  -3.535   6.874   5.852
  195    HE2  TYR  28           2HE      TYR  28  -5.611  10.342   4.349
  196    HH   TYR  28           HH       TYR  28  -3.287   8.985   6.717
  197    H    GLN  29           H        GLN  29  -8.992   3.668   1.727
  198    HA   GLN  29           HA       GLN  29 -10.020   2.804  -0.063
  199   1HB   GLN  29          2HB       GLN  29 -11.243   5.507  -0.689
  200   2HB   GLN  29          3HB       GLN  29 -11.854   3.904  -1.084
  201   1HG   GLN  29          2HG       GLN  29 -11.774   5.260   1.627
  202   2HG   GLN  29          3HG       GLN  29 -13.194   4.779   0.696
  203   1HE2  GLN  29          2HE2      GLN  29 -11.547   3.978   3.392
  204   2HE2  GLN  29          1HE2      GLN  29 -11.719   2.222   3.386
  205    H    SER  30           H        SER  30  -7.401   3.552  -0.425
  206    HA   SER  30           HA       SER  30  -7.176   4.398  -3.290
  207   1HB   SER  30          2HB       SER  30  -5.075   5.527  -2.501
  208   2HB   SER  30          3HB       SER  30  -6.564   6.161  -1.764
  209    HG   SER  30           HG       SER  30  -4.996   5.787  -0.170
  210    H    CYS  31           H        CYS  31  -7.023   1.614  -1.839
  211    HA   CYS  31           HA       CYS  31  -4.393   0.589  -2.023
  212   1HB   CYS  31          2HB       CYS  31  -7.022  -0.874  -2.465
  213   2HB   CYS  31          3HB       CYS  31  -5.472  -1.566  -1.973
  214    H    CYS  32           H        CYS  32  -3.548  -1.053  -3.476
  215    HA   CYS  32           HA       CYS  32  -3.662  -0.542  -6.302
  216   1HB   CYS  32          2HB       CYS  32  -2.644  -3.022  -6.226
  217   2HB   CYS  32          3HB       CYS  32  -1.700  -1.596  -5.810
  218    H    THR  33           H        THR  33  -4.379  -2.048  -7.962
  219    HA   THR  33           HA       THR  33  -7.147  -2.289  -7.916
  220    HB   THR  33           HB       THR  33  -6.857  -3.579 -10.069
  221    HG1  THR  33           1HG      THR  33  -4.747  -3.788 -10.819
  222   1HG2  THR  33          1HG2      THR  33  -5.146  -1.063  -9.818
  223   2HG2  THR  33          2HG2      THR  33  -5.859  -1.725 -11.304
  224   3HG2  THR  33          3HG2      THR  33  -6.910  -1.096 -10.027
  225    H    ASP  34           H        ASP  34  -4.928  -4.803  -6.914
  226    HA   ASP  34           HA       ASP  34  -7.272  -6.457  -6.172
  227   1HB   ASP  34          2HB       ASP  34  -6.279  -7.201  -8.403
  228   2HB   ASP  34          3HB       ASP  34  -4.828  -7.672  -7.506
  229    H    TYR  35           H        TYR  35  -5.574  -4.701  -4.659
  230    HA   TYR  35           HA       TYR  35  -3.608  -5.402  -3.081
  231   1HB   TYR  35          2HB       TYR  35  -4.836  -3.403  -2.758
  232   2HB   TYR  35          3HB       TYR  35  -6.278  -4.280  -2.238
  233    HD1  TYR  35           1HD      TYR  35  -2.900  -3.109  -1.225
  234    HD2  TYR  35           2HD      TYR  35  -6.533  -5.065   0.050
  235    HE1  TYR  35           1HE      TYR  35  -2.292  -2.693   1.133
  236    HE2  TYR  35           2HE      TYR  35  -5.919  -4.628   2.423
  237    HH   TYR  35           HH       TYR  35  -3.055  -2.659   3.267
  238    H    THR  36           H        THR  36  -6.838  -6.747  -2.116
  239    HA   THR  36           HA       THR  36  -5.717  -8.136   0.061
  240    HB   THR  36           HB       THR  36  -8.271  -9.125  -1.185
  241    HG1  THR  36           1HG      THR  36  -9.331  -7.338  -0.329
  242   1HG2  THR  36          1HG2      THR  36  -7.391  -8.415   1.660
  243   2HG2  THR  36          2HG2      THR  36  -9.000  -9.031   1.213
  244   3HG2  THR  36          3HG2      THR  36  -7.573 -10.051   1.008
  245    H    ALA  37           H        ALA  37  -5.408  -9.071  -3.210
  246    HA   ALA  37           HA       ALA  37  -4.555 -11.805  -2.321
  247   1HB   ALA  37          1HB       ALA  37  -5.711 -10.992  -5.014
  248   2HB   ALA  37          2HB       ALA  37  -5.147 -12.613  -4.558
  249   3HB   ALA  37          3HB       ALA  37  -6.560 -11.908  -3.746
  250    H    GLU  38           H        GLU  38  -3.703  -8.960  -4.292
  251    HA   GLU  38           HA       GLU  38  -1.098 -10.216  -5.036
  252   1HB   GLU  38          2HB       GLU  38  -2.655  -7.812  -6.038
  253   2HB   GLU  38          3HB       GLU  38  -0.983  -8.117  -6.517
  254   1HG   GLU  38          2HG       GLU  38  -3.217 -10.141  -6.936
  255   2HG   GLU  38          3HG       GLU  38  -2.744  -8.933  -8.128
  256    H    CYS  39           H        CYS  39  -2.287  -7.659  -2.905
  257    HA   CYS  39           HA       CYS  39   0.530  -6.783  -2.497
  258   1HB   CYS  39          2HB       CYS  39  -1.763  -5.018  -1.857
  259   2HB   CYS  39          3HB       CYS  39  -0.129  -4.571  -2.194
  260    H    LYS  40           H        LYS  40  -2.034  -8.238  -0.861
  261    HA   LYS  40           HA       LYS  40  -2.503  -7.218   1.473
  262   1HB   LYS  40          2HB       LYS  40  -3.306  -9.392   0.656
  263   2HB   LYS  40          3HB       LYS  40  -1.834 -10.156   1.254
  264   1HG   LYS  40          2HG       LYS  40  -2.449  -9.141   3.566
  265   2HG   LYS  40          3HG       LYS  40  -4.024  -8.765   2.849
  266   1HD   LYS  40          2HD       LYS  40  -2.755 -11.520   3.186
  267   2HD   LYS  40          3HD       LYS  40  -4.093 -10.846   4.129
  268   1HE   LYS  40          2HE       LYS  40  -5.489 -10.745   2.071
  269   2HE   LYS  40          3HE       LYS  40  -4.164 -11.460   1.147
  270   1HZ   LYS  40          1HZ       LYS  40  -5.565 -12.784   3.407
  271   2HZ   LYS  40          2HZ       LYS  40  -5.757 -13.143   1.827
  272   3HZ   LYS  40          3HZ       LYS  40  -4.329 -13.440   2.559
  273    HA   PRO  41           HA       PRO  41   1.625  -6.657   3.288
  274   1HB   PRO  41          2HB       PRO  41   1.086  -4.520   4.885
  275   2HB   PRO  41          3HB       PRO  41   1.076  -4.396   3.102
  276   1HG   PRO  41          2HG       PRO  41  -1.298  -4.806   4.949
  277   2HG   PRO  41          3HG       PRO  41  -1.090  -3.588   3.643
  278   1HD   PRO  41          2HD       PRO  41  -2.396  -5.950   3.248
  279   2HD   PRO  41          3HD       PRO  41  -1.433  -5.156   1.964
  280    H    GLN  42           H        GLN  42   2.188  -6.076   5.831
  281    HA   GLN  42           HA       GLN  42   1.803  -8.343   7.422
  282   1HB   GLN  42          2HB       GLN  42   3.226  -5.953   7.596
  283   2HB   GLN  42          3HB       GLN  42   2.090  -5.801   8.937
  284   1HG   GLN  42          2HG       GLN  42   4.087  -8.058   8.447
  285   2HG   GLN  42          3HG       GLN  42   4.221  -6.782   9.656
  286   1HE2  GLN  42          2HE2      GLN  42   2.706  -6.855  11.545
  287   2HE2  GLN  42          1HE2      GLN  42   1.789  -8.336  11.849
  288    H    VAL  43           H        VAL  43   0.569  -8.774   9.325
  289    HA   VAL  43           HA       VAL  43  -2.098  -7.423   9.552
  290    HB   VAL  43           HB       VAL  43  -1.548 -10.422   9.511
  291   1HG1  VAL  43          1HG1      VAL  43  -3.441  -9.926  10.990
  292   2HG1  VAL  43          2HG1      VAL  43  -4.177  -8.888   9.743
  293   3HG1  VAL  43          3HG1      VAL  43  -4.028 -10.640   9.494
  294   1HG2  VAL  43          1HG2      VAL  43  -1.428  -9.545   7.233
  295   2HG2  VAL  43          2HG2      VAL  43  -2.937 -10.425   7.439
  296   3HG2  VAL  43          3HG2      VAL  43  -2.945  -8.646   7.461
  297    H    THR  44           H        THR  44  -2.940  -7.270  11.598
  298    HA   THR  44           HA       THR  44  -1.620  -8.603  13.887
  299    HB   THR  44           HB       THR  44  -1.389  -6.630  15.188
  300    HG1  THR  44           1HG      THR  44  -1.836  -4.567  14.237
  301   1HG2  THR  44          1HG2      THR  44   0.509  -7.047  13.614
  302   2HG2  THR  44          2HG2      THR  44  -0.211  -5.875  12.487
  303   3HG2  THR  44          3HG2      THR  44   0.332  -5.354  14.095
  304    H    ARG  45           H        ARG  45  -2.854  -8.264  15.917
  305    HA   ARG  45           HA       ARG  45  -5.682  -8.696  15.728
  306   1HB   ARG  45          2HB       ARG  45  -3.620  -8.802  17.732
  307   2HB   ARG  45          3HB       ARG  45  -4.813  -7.669  18.331
  308   1HG   ARG  45          2HG       ARG  45  -5.441  -9.772  19.178
  309   2HG   ARG  45          3HG       ARG  45  -6.590  -9.451  17.862
  310   1HD   ARG  45          2HD       ARG  45  -5.223 -10.908  16.355
  311   2HD   ARG  45          3HD       ARG  45  -4.076 -11.173  17.683
  312    HE   ARG  45           HE       ARG  45  -6.820 -11.876  18.377
  313   1HH1  ARG  45          1HH2      ARG  45  -3.919 -13.191  16.844
  314   2HH1  ARG  45          2HH2      ARG  45  -4.391 -14.829  17.228
  315   1HH2  ARG  45          1HH1      ARG  45  -7.322 -13.987  18.808
  316   2HH2  ARG  45          2HH1      ARG  45  -6.257 -15.262  18.294
  317    H    GLY  46           H        GLY  46  -4.003  -5.752  15.475
  318   1HA   GLY  46          2HA       GLY  46  -4.752  -3.572  15.263
  319   2HA   GLY  46          3HA       GLY  46  -6.397  -4.092  15.637
  320    H    ASP  47           H        ASP  47  -6.241  -5.159  18.138
  321    HA   ASP  47           HA       ASP  47  -5.781  -2.904  19.874
  322   1HB   ASP  47          2HB       ASP  47  -7.626  -4.596  20.110
  323   2HB   ASP  47          3HB       ASP  47  -6.417  -5.802  20.551
  324    H    VAL  48           H        VAL  48  -3.824  -5.325  18.859
  325    HA   VAL  48           HA       VAL  48  -1.495  -4.481  20.416
  326    HB   VAL  48           HB       VAL  48  -0.765  -6.785  21.001
  327   1HG1  VAL  48          1HG1      VAL  48  -3.342  -6.052  22.420
  328   2HG1  VAL  48          2HG1      VAL  48  -1.992  -7.016  23.047
  329   3HG1  VAL  48          3HG1      VAL  48  -1.760  -5.292  22.710
  330   1HG2  VAL  48          1HG2      VAL  48  -2.352  -8.620  21.198
  331   2HG2  VAL  48          2HG2      VAL  48  -3.644  -7.633  20.493
  332   3HG2  VAL  48          3HG2      VAL  48  -2.234  -8.106  19.512
  333    H    PHE  49           H        PHE  49   0.527  -5.312  19.538
  334    HA   PHE  49           HA       PHE  49   0.515  -5.331  16.657
  335   1HB   PHE  49          2HB       PHE  49   2.817  -5.823  18.579
  336   2HB   PHE  49          3HB       PHE  49   2.936  -5.333  16.885
  337    HD1  PHE  49           1HD      PHE  49   1.628  -3.085  16.258
  338    HD2  PHE  49           2HD      PHE  49   2.959  -4.139  20.227
  339    HE1  PHE  49           1HE      PHE  49   1.528  -0.694  16.930
  340    HE2  PHE  49           2HE      PHE  49   2.860  -1.748  20.891
  341    HZ   PHE  49           HZ       PHE  49   2.142  -0.024  19.246
  342    H    THR  50           H        THR  50   0.344  -7.962  18.893
  343    HA   THR  50           HA       THR  50   1.565 -10.084  17.461
  344    HB   THR  50           HB       THR  50  -1.032 -10.259  19.039
  345    HG1  THR  50           1HG      THR  50   0.309 -10.489  20.856
  346   1HG2  THR  50          1HG2      THR  50  -0.345 -12.394  18.027
  347   2HG2  THR  50          2HG2      THR  50   1.298 -12.203  18.682
  348   3HG2  THR  50          3HG2      THR  50  -0.086 -12.449  19.770
  349    H    MET  51           H        MET  51   0.768 -11.541  15.888
  350    HA   MET  51           HA       MET  51  -0.978 -10.646  13.828
  351   1HB   MET  51          2HB       MET  51   0.012 -13.416  14.580
  352   2HB   MET  51          3HB       MET  51  -0.987 -13.088  13.158
  353   1HG   MET  51          2HG       MET  51   0.671 -11.492  12.307
  354   2HG   MET  51          3HG       MET  51   1.714 -11.806  13.708
  355   1HE   MET  51          1HE       MET  51   3.580 -13.388  10.599
  356   2HE   MET  51          2HE       MET  51   2.493 -11.986  10.545
  357   3HE   MET  51          3HE       MET  51   3.649 -12.161  11.885
  Start of MODEL    6
    1   1H    ASP   1          1H        ASP   1  -6.726   4.574 -15.106
    2   2H    ASP   1          2H        ASP   1  -7.041   3.948 -16.590
    3   3H    ASP   1          3H        ASP   1  -7.483   3.127 -15.233
    4    HA   ASP   1           HA       ASP   1  -5.559   2.075 -16.139
    5   1HB   ASP   1          2HB       ASP   1  -4.335   4.865 -16.005
    6   2HB   ASP   1          3HB       ASP   1  -3.421   3.374 -16.289
    7    H    GLN   2           H        GLN   2  -4.026   1.094 -14.794
    8    HA   GLN   2           HA       GLN   2  -3.690   2.042 -11.999
    9   1HB   GLN   2          2HB       GLN   2  -4.989  -0.548 -12.915
   10   2HB   GLN   2          3HB       GLN   2  -4.190  -0.437 -11.353
   11   1HG   GLN   2          2HG       GLN   2  -6.470   1.409 -12.180
   12   2HG   GLN   2          3HG       GLN   2  -6.674  -0.090 -11.289
   13   1HE2  GLN   2          2HE2      GLN   2  -5.690  -0.282  -9.135
   14   2HE2  GLN   2          1HE2      GLN   2  -5.432   1.200  -8.195
   15    H    GLU   3           H        GLU   3  -2.157   0.421 -10.817
   16    HA   GLU   3           HA       GLU   3   0.034  -0.526 -12.589
   17   1HB   GLU   3          2HB       GLU   3   0.263   1.955 -12.033
   18   2HB   GLU   3          3HB       GLU   3   0.462   1.478 -10.338
   19   1HG   GLU   3          2HG       GLU   3   2.465   0.135 -10.994
   20   2HG   GLU   3          3HG       GLU   3   2.224   0.610 -12.677
   21    H    SER   4           H        SER   4   1.261  -2.160 -11.724
   22    HA   SER   4           HA       SER   4   0.045  -3.772  -9.696
   23   1HB   SER   4          2HB       SER   4   1.192  -4.672 -11.668
   24   2HB   SER   4          3HB       SER   4   2.745  -4.037 -11.075
   25    HG   SER   4           HG       SER   4   2.223  -6.321 -10.605
   26    H    CYS   5           H        CYS   5   0.762  -4.489  -7.687
   27    HA   CYS   5           HA       CYS   5   2.479  -2.785  -6.078
   28   1HB   CYS   5          2HB       CYS   5   0.437  -3.970  -5.382
   29   2HB   CYS   5          3HB       CYS   5   1.249  -5.532  -5.580
   30    H    LYS   6           H        LYS   6   3.331  -5.272  -8.291
   31    HA   LYS   6           HA       LYS   6   5.070  -6.783  -6.646
   32   1HB   LYS   6          2HB       LYS   6   3.991  -7.210  -9.051
   33   2HB   LYS   6          3HB       LYS   6   5.527  -6.589  -9.631
   34   1HG   LYS   6          2HG       LYS   6   5.639  -8.986  -9.537
   35   2HG   LYS   6          3HG       LYS   6   6.712  -8.339  -8.287
   36   1HD   LYS   6          2HD       LYS   6   5.434 -10.341  -7.557
   37   2HD   LYS   6          3HD       LYS   6   5.117  -8.945  -6.533
   38   1HE   LYS   6          2HE       LYS   6   2.985  -8.528  -7.780
   39   2HE   LYS   6          3HE       LYS   6   3.318  -9.938  -8.794
   40   1HZ   LYS   6          1HZ       LYS   6   2.864  -9.991  -5.857
   41   2HZ   LYS   6          2HZ       LYS   6   1.810 -10.501  -6.999
   42   3HZ   LYS   6          3HZ       LYS   6   3.212 -11.308  -6.770
   43    H    GLY   7           H        GLY   7   6.650  -6.017  -5.567
   44   1HA   GLY   7          2HA       GLY   7   9.045  -5.410  -5.552
   45   2HA   GLY   7          3HA       GLY   7   8.687  -4.156  -6.748
   46    H    ARG   8           H        ARG   8   6.087  -3.993  -4.715
   47    HA   ARG   8           HA       ARG   8   7.353  -1.916  -2.934
   48   1HB   ARG   8          2HB       ARG   8   4.801  -1.768  -4.596
   49   2HB   ARG   8          3HB       ARG   8   5.305  -0.566  -3.407
   50   1HG   ARG   8          2HG       ARG   8   7.449  -0.253  -4.670
   51   2HG   ARG   8          3HG       ARG   8   6.808  -1.301  -5.945
   52   1HD   ARG   8          2HD       ARG   8   5.479   1.268  -4.978
   53   2HD   ARG   8          3HD       ARG   8   6.582   1.132  -6.363
   54    HE   ARG   8           HE       ARG   8   4.348  -0.710  -6.566
   55   1HH1  ARG   8          1HH2      ARG   8   5.228   2.653  -7.266
   56   2HH1  ARG   8          2HH2      ARG   8   4.060   2.686  -8.591
   57   1HH2  ARG   8          1HH1      ARG   8   2.938  -0.435  -8.313
   58   2HH2  ARG   8          2HH1      ARG   8   2.862   1.173  -9.042
   59    H    CYS   9           H        CYS   9   4.706  -4.273  -3.101
   60    HA   CYS   9           HA       CYS   9   3.050  -3.731  -1.174
   61   1HB   CYS   9          2HB       CYS   9   4.379  -6.451  -1.255
   62   2HB   CYS   9          3HB       CYS   9   2.705  -6.065  -0.835
   63    H    THR  10           H        THR  10   2.861  -3.131   0.805
   64    HA   THR  10           HA       THR  10   3.116  -2.683   2.955
   65    HB   THR  10           HB       THR  10   5.131  -4.879   3.430
   66    HG1  THR  10           1HG      THR  10   3.550  -5.834   2.200
   67   1HG2  THR  10          1HG2      THR  10   3.749  -5.193   5.491
   68   2HG2  THR  10          2HG2      THR  10   4.463  -3.583   5.423
   69   3HG2  THR  10          3HG2      THR  10   2.752  -3.798   5.017
   70    H    GLU  11           H        GLU  11   4.950  -1.432   0.966
   71    HA   GLU  11           HA       GLU  11   7.468  -0.861   2.180
   72   1HB   GLU  11          2HB       GLU  11   7.489   1.111   0.707
   73   2HB   GLU  11          3HB       GLU  11   7.201  -0.377  -0.150
   74   1HG   GLU  11          2HG       GLU  11   4.885   0.208  -0.578
   75   2HG   GLU  11          3HG       GLU  11   4.888   1.415   0.703
   76    H    GLY  12           H        GLY  12   4.420   0.247   3.286
   77   1HA   GLY  12          2HA       GLY  12   4.069   1.742   5.102
   78   2HA   GLY  12          3HA       GLY  12   5.575   2.592   4.754
   79    H    PHE  13           H        PHE  13   2.634   3.378   4.917
   80    HA   PHE  13           HA       PHE  13   1.608   3.969   2.348
   81   1HB   PHE  13          2HB       PHE  13   0.250   3.669   4.311
   82   2HB   PHE  13          3HB       PHE  13   1.029   5.034   5.128
   83    HD1  PHE  13           1HD      PHE  13  -1.348   3.996   2.464
   84    HD2  PHE  13           2HD      PHE  13   0.319   7.295   4.704
   85    HE1  PHE  13           1HE      PHE  13  -3.203   5.459   1.705
   86    HE2  PHE  13           2HE      PHE  13  -1.523   8.759   3.903
   87    HZ   PHE  13           HZ       PHE  13  -3.263   7.835   2.398
   88    H    ASN  14           H        ASN  14   1.459   5.750   1.083
   89    HA   ASN  14           HA       ASN  14   2.396   8.390   1.850
   90   1HB   ASN  14          2HB       ASN  14   4.554   7.332   1.251
   91   2HB   ASN  14          3HB       ASN  14   3.907   6.870  -0.330
   92   1HD2  ASN  14          2HD2      ASN  14   6.203   8.315  -0.313
   93   2HD2  ASN  14          1HD2      ASN  14   5.865   9.970  -0.819
   94    H    VAL  15           H        VAL  15   0.336   9.063   1.385
   95    HA   VAL  15           HA       VAL  15  -1.287   8.092  -0.624
   96    HB   VAL  15           HB       VAL  15  -1.800   9.393   1.511
   97   1HG1  VAL  15          1HG1      VAL  15  -2.555  11.611   1.372
   98   2HG1  VAL  15          2HG1      VAL  15  -0.842  11.559   0.922
   99   3HG1  VAL  15          3HG1      VAL  15  -2.089  11.744  -0.342
  100   1HG2  VAL  15          1HG2      VAL  15  -4.075   9.737   0.793
  101   2HG2  VAL  15          2HG2      VAL  15  -3.587   9.705  -0.914
  102   3HG2  VAL  15          3HG2      VAL  15  -3.429   8.245   0.095
  103    H    ASP  16           H        ASP  16   1.243  10.270  -1.271
  104    HA   ASP  16           HA       ASP  16   0.147  11.508  -3.659
  105   1HB   ASP  16          2HB       ASP  16   2.060  12.390  -2.338
  106   2HB   ASP  16          3HB       ASP  16   3.018  10.985  -2.837
  107    H    LYS  17           H        LYS  17   1.584   8.340  -3.007
  108    HA   LYS  17           HA       LYS  17   2.451   7.790  -5.716
  109   1HB   LYS  17          2HB       LYS  17   1.995   5.981  -3.299
  110   2HB   LYS  17          3HB       LYS  17   2.605   5.406  -4.861
  111   1HG   LYS  17          2HG       LYS  17   4.465   7.093  -4.714
  112   2HG   LYS  17          3HG       LYS  17   3.941   7.467  -3.056
  113   1HD   LYS  17          2HD       LYS  17   4.363   5.140  -2.372
  114   2HD   LYS  17          3HD       LYS  17   4.743   4.691  -4.054
  115   1HE   LYS  17          2HE       LYS  17   6.616   6.366  -4.034
  116   2HE   LYS  17          3HE       LYS  17   6.289   6.662  -2.314
  117   1HZ   LYS  17          1HZ       LYS  17   8.052   5.016  -2.588
  118   2HZ   LYS  17          2HZ       LYS  17   6.748   4.283  -1.911
  119   3HZ   LYS  17          3HZ       LYS  17   7.080   4.043  -3.479
  120    H    LYS  18           H        LYS  18   1.712   6.351  -7.223
  121    HA   LYS  18           HA       LYS  18  -1.038   6.432  -7.868
  122   1HB   LYS  18          2HB       LYS  18   0.695   6.276  -9.546
  123   2HB   LYS  18          3HB       LYS  18   1.209   4.696  -8.944
  124   1HG   LYS  18          2HG       LYS  18  -0.047   4.488 -11.026
  125   2HG   LYS  18          3HG       LYS  18  -0.906   3.697  -9.700
  126   1HD   LYS  18          2HD       LYS  18  -2.326   5.819  -9.497
  127   2HD   LYS  18          3HD       LYS  18  -1.545   6.399 -10.980
  128   1HE   LYS  18          2HE       LYS  18  -2.362   4.432 -12.209
  129   2HE   LYS  18          3HE       LYS  18  -3.013   3.737 -10.716
  130   1HZ   LYS  18          1HZ       LYS  18  -4.731   4.807 -12.032
  131   2HZ   LYS  18          2HZ       LYS  18  -4.585   5.555 -10.588
  132   3HZ   LYS  18          3HZ       LYS  18  -3.979   6.262 -11.940
  133    H    CYS  19           H        CYS  19   0.666   3.985  -6.006
  134    HA   CYS  19           HA       CYS  19  -1.999   2.746  -5.482
  135   1HB   CYS  19          2HB       CYS  19  -1.148   0.596  -5.256
  136   2HB   CYS  19          3HB       CYS  19  -0.496   1.162  -6.793
  137    H    GLN  20           H        GLN  20  -2.513   2.430  -3.421
  138    HA   GLN  20           HA       GLN  20  -0.494   3.064  -1.301
  139   1HB   GLN  20          2HB       GLN  20  -3.520   2.829  -1.112
  140   2HB   GLN  20          3HB       GLN  20  -2.412   3.233   0.212
  141   1HG   GLN  20          2HG       GLN  20  -2.958   4.901  -2.274
  142   2HG   GLN  20          3HG       GLN  20  -3.302   5.339  -0.603
  143   1HE2  GLN  20          2HE2      GLN  20  -1.248   6.223  -3.059
  144   2HE2  GLN  20          1HE2      GLN  20   0.154   6.579  -2.043
  145    H    CYS  21           H        CYS  21   0.461   1.162  -2.251
  146    HA   CYS  21           HA       CYS  21  -0.541  -1.502  -1.818
  147   1HB   CYS  21          2HB       CYS  21   2.195  -0.244  -2.385
  148   2HB   CYS  21          3HB       CYS  21   1.910  -1.974  -2.309
  149    H    ASP  22           H        ASP  22  -0.930  -0.162   0.638
  150    HA   ASP  22           HA       ASP  22   0.817  -1.542   2.555
  151   1HB   ASP  22          2HB       ASP  22   1.952   0.653   1.884
  152   2HB   ASP  22          3HB       ASP  22   0.566   1.496   2.599
  153    H    GLU  23           H        GLU  23   0.159  -1.032   4.825
  154    HA   GLU  23           HA       GLU  23  -2.319  -2.087   5.315
  155   1HB   GLU  23          2HB       GLU  23  -0.773  -0.332   7.259
  156   2HB   GLU  23          3HB       GLU  23  -1.867  -1.666   7.632
  157   1HG   GLU  23          2HG       GLU  23  -0.236  -3.192   6.389
  158   2HG   GLU  23          3HG       GLU  23   0.898  -1.837   6.337
  159    H    LEU  24           H        LEU  24  -1.626   1.432   5.355
  160    HA   LEU  24           HA       LEU  24  -4.178   2.116   6.583
  161   1HB   LEU  24          2HB       LEU  24  -2.125   3.854   5.179
  162   2HB   LEU  24          3HB       LEU  24  -3.489   4.441   6.121
  163    HG   LEU  24           HG       LEU  24  -1.101   2.877   7.183
  164   1HD1  LEU  24          1HD1      LEU  24  -0.714   5.271   6.654
  165   2HD1  LEU  24          2HD1      LEU  24  -2.068   5.719   7.708
  166   3HD1  LEU  24          3HD1      LEU  24  -0.618   4.946   8.391
  167   1HD2  LEU  24          1HD2      LEU  24  -3.571   3.900   8.657
  168   2HD2  LEU  24          2HD2      LEU  24  -3.050   2.205   8.498
  169   3HD2  LEU  24          3HD2      LEU  24  -2.078   3.333   9.442
  170    H    CYS  25           H        CYS  25  -3.545   1.191   3.348
  171    HA   CYS  25           HA       CYS  25  -5.063   3.075   1.924
  172   1HB   CYS  25          2HB       CYS  25  -5.031   1.615   0.157
  173   2HB   CYS  25          3HB       CYS  25  -3.599   1.161   1.092
  174    H    SER  26           H        SER  26  -6.294   0.473   3.930
  175    HA   SER  26           HA       SER  26  -8.979   0.329   2.999
  176   1HB   SER  26          2HB       SER  26  -7.664  -1.247   4.530
  177   2HB   SER  26          3HB       SER  26  -8.054  -0.136   5.854
  178    HG   SER  26           HG       SER  26  -9.565  -1.878   5.628
  179    H    TYR  27           H        TYR  27  -7.465   2.915   4.608
  180    HA   TYR  27           HA       TYR  27 -10.047   4.166   5.448
  181   1HB   TYR  27          2HB       TYR  27  -8.726   3.980   7.331
  182   2HB   TYR  27          3HB       TYR  27  -7.226   4.198   6.463
  183    HD1  TYR  27           1HD      TYR  27 -10.265   6.144   7.557
  184    HD2  TYR  27           2HD      TYR  27  -6.079   6.178   6.536
  185    HE1  TYR  27           1HE      TYR  27 -10.117   8.553   8.210
  186    HE2  TYR  27           2HE      TYR  27  -5.937   8.591   7.123
  187    HH   TYR  27           HH       TYR  27  -7.072  10.423   7.926
  188    H    TYR  28           H        TYR  28  -7.845   4.204   2.892
  189    HA   TYR  28           HA       TYR  28  -8.530   7.027   2.139
  190   1HB   TYR  28          2HB       TYR  28  -5.992   5.422   1.780
  191   2HB   TYR  28          3HB       TYR  28  -6.361   6.808   0.757
  192    HD1  TYR  28           1HD      TYR  28  -5.203   5.781   4.057
  193    HD2  TYR  28           2HD      TYR  28  -6.644   9.086   1.689
  194    HE1  TYR  28           1HE      TYR  28  -4.134   7.383   5.634
  195    HE2  TYR  28           2HE      TYR  28  -5.613  10.687   3.287
  196    HH   TYR  28           HH       TYR  28  -4.352  10.937   5.188
  197    H    GLN  29           H        GLN  29  -9.070   3.796   1.203
  198    HA   GLN  29           HA       GLN  29  -9.954   2.817  -0.635
  199   1HB   GLN  29          2HB       GLN  29 -11.212   5.565  -1.014
  200   2HB   GLN  29          3HB       GLN  29 -11.740   4.074  -1.781
  201   1HG   GLN  29          2HG       GLN  29 -13.216   4.487   0.025
  202   2HG   GLN  29          3HG       GLN  29 -12.235   3.072   0.433
  203   1HE2  GLN  29          2HE2      GLN  29 -12.217   6.694   0.942
  204   2HE2  GLN  29          1HE2      GLN  29 -11.608   6.552   2.593
  205    H    SER  30           H        SER  30  -7.326   3.848  -1.035
  206    HA   SER  30           HA       SER  30  -7.206   4.361  -3.993
  207   1HB   SER  30          2HB       SER  30  -5.516   5.560  -1.762
  208   2HB   SER  30          3HB       SER  30  -5.238   5.801  -3.500
  209    HG   SER  30           HG       SER  30  -7.538   6.576  -2.004
  210    H    CYS  31           H        CYS  31  -6.970   1.826  -2.394
  211    HA   CYS  31           HA       CYS  31  -4.237   0.989  -2.244
  212   1HB   CYS  31          2HB       CYS  31  -6.664   0.135  -1.253
  213   2HB   CYS  31          3HB       CYS  31  -6.377  -1.057  -2.528
  214    H    CYS  32           H        CYS  32  -3.416  -1.020  -3.352
  215    HA   CYS  32           HA       CYS  32  -3.427  -0.875  -6.241
  216   1HB   CYS  32          2HB       CYS  32  -2.412  -3.234  -5.962
  217   2HB   CYS  32          3HB       CYS  32  -1.505  -1.855  -5.340
  218    H    THR  33           H        THR  33  -4.455  -2.241  -7.739
  219    HA   THR  33           HA       THR  33  -7.169  -2.506  -7.412
  220    HB   THR  33           HB       THR  33  -5.625  -4.155  -9.427
  221    HG1  THR  33           1HG      THR  33  -5.286  -2.338 -10.577
  222   1HG2  THR  33          1HG2      THR  33  -8.080  -4.264  -9.654
  223   2HG2  THR  33          2HG2      THR  33  -8.182  -2.488  -9.612
  224   3HG2  THR  33          3HG2      THR  33  -7.397  -3.314 -10.976
  225    H    ASP  34           H        ASP  34  -4.851  -4.944  -6.554
  226    HA   ASP  34           HA       ASP  34  -7.013  -6.898  -5.883
  227   1HB   ASP  34          2HB       ASP  34  -4.373  -7.440  -7.302
  228   2HB   ASP  34          3HB       ASP  34  -5.431  -8.697  -6.647
  229    H    TYR  35           H        TYR  35  -5.775  -4.966  -4.116
  230    HA   TYR  35           HA       TYR  35  -3.547  -5.590  -2.754
  231   1HB   TYR  35          2HB       TYR  35  -4.797  -3.614  -2.195
  232   2HB   TYR  35          3HB       TYR  35  -6.161  -4.575  -1.627
  233    HD1  TYR  35           1HD      TYR  35  -6.250  -5.476   0.586
  234    HD2  TYR  35           2HD      TYR  35  -2.701  -3.420  -0.770
  235    HE1  TYR  35           1HE      TYR  35  -5.403  -5.379   2.924
  236    HE2  TYR  35           2HE      TYR  35  -1.856  -3.350   1.559
  237    HH   TYR  35           HH       TYR  35  -2.283  -3.845   3.752
  238    H    THR  36           H        THR  36  -6.666  -7.152  -1.806
  239    HA   THR  36           HA       THR  36  -5.523  -8.689   0.308
  240    HB   THR  36           HB       THR  36  -7.688 -10.102  -0.043
  241    HG1  THR  36           1HG      THR  36  -9.256  -8.982  -1.208
  242   1HG2  THR  36          1HG2      THR  36  -7.879  -7.132   0.590
  243   2HG2  THR  36          2HG2      THR  36  -8.976  -8.420   1.138
  244   3HG2  THR  36          3HG2      THR  36  -7.297  -8.388   1.708
  245    H    ALA  37           H        ALA  37  -5.146  -9.264  -3.031
  246    HA   ALA  37           HA       ALA  37  -4.423 -12.130  -2.510
  247   1HB   ALA  37          1HB       ALA  37  -5.462 -10.832  -5.061
  248   2HB   ALA  37          2HB       ALA  37  -5.035 -12.543  -4.850
  249   3HB   ALA  37          3HB       ALA  37  -6.404 -11.858  -3.953
  250    H    GLU  38           H        GLU  38  -3.315  -9.072  -3.895
  251    HA   GLU  38           HA       GLU  38  -0.725 -10.358  -4.699
  252   1HB   GLU  38          2HB       GLU  38  -2.228  -7.951  -5.788
  253   2HB   GLU  38          3HB       GLU  38  -0.587  -8.381  -6.272
  254   1HG   GLU  38          2HG       GLU  38  -3.067 -10.112  -6.652
  255   2HG   GLU  38          3HG       GLU  38  -2.260  -9.161  -7.894
  256    H    CYS  39           H        CYS  39  -2.001  -7.903  -2.531
  257    HA   CYS  39           HA       CYS  39   0.770  -6.858  -2.143
  258   1HB   CYS  39          2HB       CYS  39  -1.668  -5.298  -1.476
  259   2HB   CYS  39          3HB       CYS  39  -0.064  -4.708  -1.812
  260    H    LYS  40           H        LYS  40  -1.895  -8.343  -0.577
  261    HA   LYS  40           HA       LYS  40  -2.067  -7.330   1.870
  262   1HB   LYS  40          2HB       LYS  40  -3.464  -9.103   0.926
  263   2HB   LYS  40          3HB       LYS  40  -2.206 -10.283   1.199
  264   1HG   LYS  40          2HG       LYS  40  -3.771 -10.562   2.943
  265   2HG   LYS  40          3HG       LYS  40  -2.372  -9.775   3.688
  266   1HD   LYS  40          2HD       LYS  40  -3.592  -7.569   3.517
  267   2HD   LYS  40          3HD       LYS  40  -4.980  -8.431   2.826
  268   1HE   LYS  40          2HE       LYS  40  -5.145  -9.811   4.873
  269   2HE   LYS  40          3HE       LYS  40  -3.726  -9.005   5.553
  270   1HZ   LYS  40          1HZ       LYS  40  -4.984  -6.913   5.536
  271   2HZ   LYS  40          2HZ       LYS  40  -6.303  -7.662   4.915
  272   3HZ   LYS  40          3HZ       LYS  40  -5.778  -8.037   6.410
  273    HA   PRO  41           HA       PRO  41   1.979  -7.742   3.922
  274   1HB   PRO  41          2HB       PRO  41   0.083  -7.271   6.234
  275   2HB   PRO  41          3HB       PRO  41   1.711  -6.575   5.959
  276   1HG   PRO  41          2HG       PRO  41  -0.568  -5.178   5.403
  277   2HG   PRO  41          3HG       PRO  41   0.865  -5.063   4.329
  278   1HD   PRO  41          2HD       PRO  41  -1.692  -6.541   3.892
  279   2HD   PRO  41          3HD       PRO  41  -0.585  -5.783   2.717
  280    H    GLN  42           H        GLN  42   3.031  -9.322   5.110
  281    HA   GLN  42           HA       GLN  42   1.663 -11.854   5.580
  282   1HB   GLN  42          2HB       GLN  42   3.967 -11.664   4.638
  283   2HB   GLN  42          3HB       GLN  42   4.540 -11.097   6.221
  284   1HG   GLN  42          2HG       GLN  42   3.738 -13.246   7.243
  285   2HG   GLN  42          3HG       GLN  42   3.114 -13.739   5.670
  286   1HE2  GLN  42          2HE2      GLN  42   4.444 -15.666   5.931
  287   2HE2  GLN  42          1HE2      GLN  42   6.175 -15.575   5.554
  288    H    VAL  43           H        VAL  43   0.106 -11.171   7.107
  289    HA   VAL  43           HA       VAL  43   0.576 -10.176   9.729
  290    HB   VAL  43           HB       VAL  43  -1.591 -12.035   8.663
  291   1HG1  VAL  43          1HG1      VAL  43  -2.971 -11.202  10.574
  292   2HG1  VAL  43          2HG1      VAL  43  -1.634 -12.216  11.092
  293   3HG1  VAL  43          3HG1      VAL  43  -1.523 -10.443  11.267
  294   1HG2  VAL  43          1HG2      VAL  43  -2.951  -9.965   8.578
  295   2HG2  VAL  43          2HG2      VAL  43  -1.547  -9.016   9.113
  296   3HG2  VAL  43          3HG2      VAL  43  -1.535  -9.832   7.536
  297    H    THR  44           H        THR  44   1.073 -11.101  11.676
  298    HA   THR  44           HA       THR  44   1.792 -13.991  11.792
  299    HB   THR  44           HB       THR  44   3.747 -13.298  13.231
  300    HG1  THR  44           1HG      THR  44   4.403 -11.145  13.047
  301   1HG2  THR  44          1HG2      THR  44   5.207 -12.698  11.402
  302   2HG2  THR  44          2HG2      THR  44   4.024 -13.888  10.832
  303   3HG2  THR  44          3HG2      THR  44   3.831 -12.173  10.409
  304    H    ARG  45           H        ARG  45  -0.600 -12.814  12.627
  305    HA   ARG  45           HA       ARG  45  -0.809 -12.205  15.403
  306   1HB   ARG  45          2HB       ARG  45  -2.413 -11.607  13.603
  307   2HB   ARG  45          3HB       ARG  45  -2.918 -13.296  13.482
  308   1HG   ARG  45          2HG       ARG  45  -3.838 -13.217  15.758
  309   2HG   ARG  45          3HG       ARG  45  -3.186 -11.574  15.988
  310   1HD   ARG  45          2HD       ARG  45  -4.636 -10.765  14.144
  311   2HD   ARG  45          3HD       ARG  45  -5.279 -12.409  13.935
  312    HE   ARG  45           HE       ARG  45  -5.608 -11.616  16.661
  313   1HH1  ARG  45          1HH2      ARG  45  -7.001 -10.836  13.542
  314   2HH1  ARG  45          2HH2      ARG  45  -8.518 -10.342  14.242
  315   1HH2  ARG  45          1HH1      ARG  45  -7.564 -10.969  17.488
  316   2HH2  ARG  45          2HH1      ARG  45  -8.820 -10.414  16.420
  317    H    GLY  46           H        GLY  46  -0.496 -15.339  13.959
  318   1HA   GLY  46          2HA       GLY  46  -0.317 -17.422  15.037
  319   2HA   GLY  46          3HA       GLY  46  -0.949 -16.733  16.533
  320    H    ASP  47           H        ASP  47  -2.788 -15.987  13.723
  321    HA   ASP  47           HA       ASP  47  -4.749 -18.186  14.102
  322   1HB   ASP  47          2HB       ASP  47  -5.218 -16.253  15.665
  323   2HB   ASP  47          3HB       ASP  47  -5.430 -15.219  14.254
  324    H    VAL  48           H        VAL  48  -2.878 -17.580  11.954
  325    HA   VAL  48           HA       VAL  48  -4.686 -17.445   9.639
  326    HB   VAL  48           HB       VAL  48  -4.057 -15.080  10.206
  327   1HG1  VAL  48          1HG1      VAL  48  -1.239 -15.868   9.360
  328   2HG1  VAL  48          2HG1      VAL  48  -1.829 -14.240   9.697
  329   3HG1  VAL  48          3HG1      VAL  48  -1.749 -15.428  11.005
  330   1HG2  VAL  48          1HG2      VAL  48  -4.712 -15.744   7.912
  331   2HG2  VAL  48          2HG2      VAL  48  -3.617 -14.356   7.976
  332   3HG2  VAL  48          3HG2      VAL  48  -2.989 -15.934   7.498
  333    H    PHE  49           H        PHE  49  -3.615 -18.133   7.639
  334    HA   PHE  49           HA       PHE  49  -1.583 -20.212   8.212
  335   1HB   PHE  49          2HB       PHE  49  -3.432 -19.796   5.839
  336   2HB   PHE  49          3HB       PHE  49  -2.378 -21.190   6.098
  337    HD1  PHE  49           1HD      PHE  49  -2.692 -22.569   8.276
  338    HD2  PHE  49           2HD      PHE  49  -5.656 -19.845   6.723
  339    HE1  PHE  49           1HE      PHE  49  -4.445 -23.709   9.617
  340    HE2  PHE  49           2HE      PHE  49  -7.405 -20.989   8.066
  341    HZ   PHE  49           HZ       PHE  49  -6.802 -22.920   9.515
  342    H    THR  50           H        THR  50  -1.317 -17.089   7.122
  343    HA   THR  50           HA       THR  50   0.637 -17.483   4.972
  344    HB   THR  50           HB       THR  50   0.856 -14.966   5.191
  345    HG1  THR  50           1HG      THR  50  -0.743 -13.972   6.454
  346   1HG2  THR  50          1HG2      THR  50  -0.732 -16.011   3.594
  347   2HG2  THR  50          2HG2      THR  50  -1.992 -16.001   4.848
  348   3HG2  THR  50          3HG2      THR  50  -1.328 -14.471   4.232
  349    H    MET  51           H        MET  51   1.001 -18.128   8.125
  350    HA   MET  51           HA       MET  51   3.797 -17.099   8.350
  351   1HB   MET  51          2HB       MET  51   3.435 -16.763  10.725
  352   2HB   MET  51          3HB       MET  51   2.300 -15.797   9.782
  353   1HG   MET  51          2HG       MET  51   0.533 -17.490  10.171
  354   2HG   MET  51          3HG       MET  51   1.656 -18.444  11.153
  355   1HE   MET  51          1HE       MET  51   3.168 -16.358  13.001
  356   2HE   MET  51          2HE       MET  51   2.068 -16.346  14.393
  357   3HE   MET  51          3HE       MET  51   2.419 -17.874  13.557
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1  -4.813   4.806 -12.742
    2   2H    ASP   1          2H        ASP   1  -3.916   6.172 -12.640
    3   3H    ASP   1          3H        ASP   1  -4.758   5.852 -14.011
    4    HA   ASP   1           HA       ASP   1  -3.399   3.959 -14.509
    5   1HB   ASP   1          2HB       ASP   1  -2.662   6.164 -15.352
    6   2HB   ASP   1          3HB       ASP   1  -1.717   6.419 -13.874
    7    H    GLN   2           H        GLN   2  -2.652   2.188 -13.550
    8    HA   GLN   2           HA       GLN   2  -1.240   2.326 -10.922
    9   1HB   GLN   2          2HB       GLN   2  -3.892   1.009 -11.592
   10   2HB   GLN   2          3HB       GLN   2  -2.811   0.222 -10.463
   11   1HG   GLN   2          2HG       GLN   2  -4.299   1.468  -9.143
   12   2HG   GLN   2          3HG       GLN   2  -2.737   2.256  -9.070
   13   1HE2  GLN   2          2HE2      GLN   2  -3.523   4.306  -8.475
   14   2HE2  GLN   2          1HE2      GLN   2  -4.603   5.254  -9.507
   15    H    GLU   3           H        GLU   3  -0.361   0.221 -10.267
   16    HA   GLU   3           HA       GLU   3   0.422  -1.644 -12.446
   17   1HB   GLU   3          2HB       GLU   3   2.357  -0.203 -10.586
   18   2HB   GLU   3          3HB       GLU   3   2.759  -1.553 -11.672
   19   1HG   GLU   3          2HG       GLU   3   2.230  -0.168 -13.629
   20   2HG   GLU   3          3HG       GLU   3   1.829   1.193 -12.569
   21    H    SER   4           H        SER   4   1.618  -3.568 -11.495
   22    HA   SER   4           HA       SER   4   0.152  -4.717  -9.282
   23   1HB   SER   4          2HB       SER   4   1.583  -6.671  -9.685
   24   2HB   SER   4          3HB       SER   4   0.921  -6.036 -11.207
   25    HG   SER   4           HG       SER   4   3.128  -6.459 -11.450
   26    H    CYS   5           H        CYS   5   1.208  -5.799  -7.454
   27    HA   CYS   5           HA       CYS   5   2.481  -3.908  -5.798
   28   1HB   CYS   5          2HB       CYS   5   0.904  -5.852  -5.281
   29   2HB   CYS   5          3HB       CYS   5   2.341  -6.893  -5.284
   30    H    LYS   6           H        LYS   6   4.225  -5.543  -8.142
   31    HA   LYS   6           HA       LYS   6   6.324  -6.738  -6.606
   32   1HB   LYS   6          2HB       LYS   6   6.177  -5.845  -9.505
   33   2HB   LYS   6          3HB       LYS   6   7.565  -6.712  -8.812
   34   1HG   LYS   6          2HG       LYS   6   6.162  -8.624  -8.221
   35   2HG   LYS   6          3HG       LYS   6   4.700  -7.766  -8.746
   36   1HD   LYS   6          2HD       LYS   6   5.350  -9.373 -10.424
   37   2HD   LYS   6          3HD       LYS   6   5.504  -7.730 -11.058
   38   1HE   LYS   6          2HE       LYS   6   7.966  -7.817 -10.651
   39   2HE   LYS   6          3HE       LYS   6   7.798  -9.448  -9.989
   40   1HZ   LYS   6          1HZ       LYS   6   8.475  -9.500 -12.320
   41   2HZ   LYS   6          2HZ       LYS   6   6.998 -10.174 -12.178
   42   3HZ   LYS   6          3HZ       LYS   6   7.155  -8.664 -12.785
   43    H    GLY   7           H        GLY   7   7.875  -5.912  -5.513
   44   1HA   GLY   7          2HA       GLY   7   9.562  -4.527  -4.751
   45   2HA   GLY   7          3HA       GLY   7   9.348  -3.475  -6.160
   46    H    ARG   8           H        ARG   8   6.401  -4.007  -4.416
   47    HA   ARG   8           HA       ARG   8   6.643  -1.338  -3.036
   48   1HB   ARG   8          2HB       ARG   8   4.532  -2.351  -4.982
   49   2HB   ARG   8          3HB       ARG   8   4.277  -0.970  -3.912
   50   1HG   ARG   8          2HG       ARG   8   6.174   0.215  -4.841
   51   2HG   ARG   8          3HG       ARG   8   6.552  -1.133  -5.923
   52   1HD   ARG   8          2HD       ARG   8   3.817   0.168  -5.973
   53   2HD   ARG   8          3HD       ARG   8   5.203   0.903  -6.777
   54    HE   ARG   8           HE       ARG   8   4.164  -1.850  -7.413
   55   1HH1  ARG   8          1HH2      ARG   8   5.545   1.173  -8.673
   56   2HH1  ARG   8          2HH2      ARG   8   5.429   0.523 -10.311
   57   1HH2  ARG   8          1HH1      ARG   8   4.174  -2.459  -9.504
   58   2HH2  ARG   8          2HH1      ARG   8   4.778  -1.329 -10.735
   59    H    CYS   9           H        CYS   9   4.981  -4.474  -2.909
   60    HA   CYS   9           HA       CYS   9   3.139  -4.053  -0.991
   61   1HB   CYS   9          2HB       CYS   9   4.959  -6.434  -0.687
   62   2HB   CYS   9          3HB       CYS   9   3.231  -6.303  -0.369
   63    H    THR  10           H        THR  10   2.887  -3.515   1.037
   64    HA   THR  10           HA       THR  10   3.182  -2.814   3.128
   65    HB   THR  10           HB       THR  10   5.666  -4.475   3.521
   66    HG1  THR  10           1HG      THR  10   4.364  -6.251   3.768
   67   1HG2  THR  10          1HG2      THR  10   3.190  -3.902   5.229
   68   2HG2  THR  10          2HG2      THR  10   4.518  -4.990   5.690
   69   3HG2  THR  10          3HG2      THR  10   4.819  -3.264   5.514
   70    H    GLU  11           H        GLU  11   4.525  -1.282   0.963
   71    HA   GLU  11           HA       GLU  11   6.905  -0.080   1.964
   72   1HB   GLU  11          2HB       GLU  11   6.435   1.722   0.388
   73   2HB   GLU  11          3HB       GLU  11   6.314   0.138  -0.353
   74   1HG   GLU  11          2HG       GLU  11   3.828   0.275  -0.283
   75   2HG   GLU  11          3HG       GLU  11   3.925   1.815   0.560
   76    H    GLY  12           H        GLY  12   3.680   0.448   3.078
   77   1HA   GLY  12          2HA       GLY  12   2.880   1.850   4.791
   78   2HA   GLY  12          3HA       GLY  12   4.425   2.712   4.841
   79    H    PHE  13           H        PHE  13   1.666   3.832   4.714
   80    HA   PHE  13           HA       PHE  13   0.980   4.496   2.070
   81   1HB   PHE  13          2HB       PHE  13  -0.390   4.554   4.255
   82   2HB   PHE  13          3HB       PHE  13   0.174   6.212   4.429
   83    HD1  PHE  13           1HD      PHE  13  -2.003   3.882   2.604
   84    HD2  PHE  13           2HD      PHE  13  -0.555   7.957   2.677
   85    HE1  PHE  13           1HE      PHE  13  -3.888   4.600   1.156
   86    HE2  PHE  13           2HE      PHE  13  -2.434   8.609   1.192
   87    HZ   PHE  13           HZ       PHE  13  -4.083   6.959   0.435
   88    H    ASN  14           H        ASN  14   1.293   6.152   0.738
   89    HA   ASN  14           HA       ASN  14   2.478   8.705   1.578
   90   1HB   ASN  14          2HB       ASN  14   4.494   7.408   1.096
   91   2HB   ASN  14          3HB       ASN  14   3.844   6.896  -0.466
   92   1HD2  ASN  14          1HD2      ASN  14   6.314   8.071  -0.416
   93   2HD2  ASN  14          2HD2      ASN  14   6.197   9.697  -1.089
   94    H    VAL  15           H        VAL  15   0.757   9.817   0.980
   95    HA   VAL  15           HA       VAL  15  -1.266   9.109  -0.712
   96    HB   VAL  15           HB       VAL  15  -0.677  12.032  -0.386
   97   1HG1  VAL  15          1HG1      VAL  15  -2.845  11.292  -1.395
   98   2HG1  VAL  15          2HG1      VAL  15  -3.217  10.403   0.099
   99   3HG1  VAL  15          3HG1      VAL  15  -3.078  12.166   0.121
  100   1HG2  VAL  15          1HG2      VAL  15  -1.476  10.297   1.982
  101   2HG2  VAL  15          2HG2      VAL  15  -0.001  11.277   1.815
  102   3HG2  VAL  15          3HG2      VAL  15  -1.572  12.056   1.910
  103    H    ASP  16           H        ASP  16   1.725  10.523  -1.838
  104    HA   ASP  16           HA       ASP  16   0.723  11.421  -4.422
  105   1HB   ASP  16          2HB       ASP  16   2.677  12.380  -3.190
  106   2HB   ASP  16          3HB       ASP  16   3.553  10.871  -3.484
  107    H    LYS  17           H        LYS  17   1.743   8.284  -3.229
  108    HA   LYS  17           HA       LYS  17   2.813   7.223  -5.698
  109   1HB   LYS  17          2HB       LYS  17   1.725   5.854  -3.199
  110   2HB   LYS  17          3HB       LYS  17   2.523   4.996  -4.520
  111   1HG   LYS  17          2HG       LYS  17   3.829   7.142  -2.801
  112   2HG   LYS  17          3HG       LYS  17   3.978   5.389  -2.583
  113   1HD   LYS  17          2HD       LYS  17   4.913   5.313  -4.993
  114   2HD   LYS  17          3HD       LYS  17   4.986   7.084  -4.896
  115   1HE   LYS  17          2HE       LYS  17   7.138   6.434  -4.269
  116   2HE   LYS  17          3HE       LYS  17   6.333   6.764  -2.725
  117   1HZ   LYS  17          1HZ       LYS  17   7.552   4.677  -2.628
  118   2HZ   LYS  17          2HZ       LYS  17   5.966   4.299  -2.534
  119   3HZ   LYS  17          3HZ       LYS  17   6.777   4.078  -3.930
  120    H    LYS  18           H        LYS  18   2.021   5.706  -7.108
  121    HA   LYS  18           HA       LYS  18  -0.688   6.082  -8.045
  122   1HB   LYS  18          2HB       LYS  18   1.649   4.353  -8.886
  123   2HB   LYS  18          3HB       LYS  18   0.042   4.037  -9.546
  124   1HG   LYS  18          2HG       LYS  18   1.173   5.438 -11.092
  125   2HG   LYS  18          3HG       LYS  18  -0.096   6.406 -10.319
  126   1HD   LYS  18          2HD       LYS  18   1.623   7.426  -8.829
  127   2HD   LYS  18          3HD       LYS  18   2.881   6.462  -9.635
  128   1HE   LYS  18          2HE       LYS  18   2.284   7.536 -11.803
  129   2HE   LYS  18          3HE       LYS  18   1.050   8.501 -10.983
  130   1HZ   LYS  18          1HZ       LYS  18   3.108   9.755 -11.240
  131   2HZ   LYS  18          2HZ       LYS  18   2.829   9.516  -9.651
  132   3HZ   LYS  18          3HZ       LYS  18   3.969   8.634 -10.427
  133    H    CYS  19           H        CYS  19   0.818   3.475  -6.197
  134    HA   CYS  19           HA       CYS  19  -1.922   2.396  -5.614
  135   1HB   CYS  19          2HB       CYS  19  -1.090   0.284  -5.169
  136   2HB   CYS  19          3HB       CYS  19  -0.305   0.700  -6.691
  137    H    GLN  20           H        GLN  20  -2.105   1.609  -3.413
  138    HA   GLN  20           HA       GLN  20  -0.175   2.744  -1.432
  139   1HB   GLN  20          2HB       GLN  20  -3.190   2.639  -1.126
  140   2HB   GLN  20          3HB       GLN  20  -2.029   3.158   0.096
  141   1HG   GLN  20          2HG       GLN  20  -2.493   4.499  -2.610
  142   2HG   GLN  20          3HG       GLN  20  -3.132   5.079  -1.101
  143   1HE2  GLN  20          2HE2      GLN  20  -1.310   6.448  -3.064
  144   2HE2  GLN  20          1HE2      GLN  20   0.076   6.881  -2.061
  145    H    CYS  21           H        CYS  21   0.770   0.760  -2.067
  146    HA   CYS  21           HA       CYS  21  -0.534  -1.783  -1.762
  147   1HB   CYS  21          2HB       CYS  21   2.347  -0.907  -2.240
  148   2HB   CYS  21          3HB       CYS  21   1.801  -2.577  -2.273
  149    H    ASP  22           H        ASP  22  -0.790  -0.457   0.724
  150    HA   ASP  22           HA       ASP  22   0.888  -2.056   2.591
  151   1HB   ASP  22          2HB       ASP  22   1.682  -0.140   3.719
  152   2HB   ASP  22          3HB       ASP  22   1.943   0.202   2.006
  153    H    GLU  23           H        GLU  23   0.345  -1.329   4.926
  154    HA   GLU  23           HA       GLU  23  -2.096  -2.513   5.585
  155   1HB   GLU  23          2HB       GLU  23  -0.405  -0.676   7.329
  156   2HB   GLU  23          3HB       GLU  23  -1.529  -1.921   7.879
  157   1HG   GLU  23          2HG       GLU  23  -0.084  -3.652   6.793
  158   2HG   GLU  23          3HG       GLU  23   1.082  -2.388   6.363
  159    H    LEU  24           H        LEU  24  -1.497   0.978   5.169
  160    HA   LEU  24           HA       LEU  24  -3.974   1.700   6.658
  161   1HB   LEU  24          2HB       LEU  24  -1.885   3.427   5.320
  162   2HB   LEU  24          3HB       LEU  24  -3.172   3.993   6.373
  163    HG   LEU  24           HG       LEU  24  -0.818   2.243   7.215
  164   1HD1  LEU  24          1HD1      LEU  24  -0.234   4.595   6.761
  165   2HD1  LEU  24          2HD1      LEU  24  -1.529   5.137   7.851
  166   3HD1  LEU  24          3HD1      LEU  24  -0.138   4.230   8.490
  167   1HD2  LEU  24          1HD2      LEU  24  -2.775   1.681   8.588
  168   2HD2  LEU  24          2HD2      LEU  24  -1.637   2.647   9.530
  169   3HD2  LEU  24          3HD2      LEU  24  -3.103   3.407   8.870
  170    H    CYS  25           H        CYS  25  -3.452   0.723   3.511
  171    HA   CYS  25           HA       CYS  25  -4.530   2.827   2.022
  172   1HB   CYS  25          2HB       CYS  25  -4.490   1.384   0.210
  173   2HB   CYS  25          3HB       CYS  25  -3.210   0.827   1.293
  174    H    SER  26           H        SER  26  -6.340   0.331   3.734
  175    HA   SER  26           HA       SER  26  -8.868   0.777   2.439
  176   1HB   SER  26          2HB       SER  26  -8.221  -1.257   3.738
  177   2HB   SER  26          3HB       SER  26  -8.345  -0.307   5.232
  178    HG   SER  26           HG       SER  26 -10.283  -1.465   4.728
  179    H    TYR  27           H        TYR  27  -7.293   2.384   5.189
  180    HA   TYR  27           HA       TYR  27  -9.557   3.913   6.105
  181   1HB   TYR  27          2HB       TYR  27  -7.836   3.701   7.627
  182   2HB   TYR  27          3HB       TYR  27  -6.579   3.969   6.451
  183    HD1  TYR  27           1HD      TYR  27  -5.507   6.013   6.247
  184    HD2  TYR  27           2HD      TYR  27  -9.298   5.798   8.294
  185    HE1  TYR  27           1HE      TYR  27  -5.256   8.378   6.928
  186    HE2  TYR  27           2HE      TYR  27  -9.034   8.177   9.007
  187    HH   TYR  27           HH       TYR  27  -6.178  10.140   8.086
  188    H    TYR  28           H        TYR  28  -7.466   4.308   3.319
  189    HA   TYR  28           HA       TYR  28  -8.738   6.944   2.668
  190   1HB   TYR  28          2HB       TYR  28  -6.262   5.532   1.623
  191   2HB   TYR  28          3HB       TYR  28  -6.936   6.989   0.903
  192    HD1  TYR  28           1HD      TYR  28  -4.959   5.674   3.691
  193    HD2  TYR  28           2HD      TYR  28  -6.896   9.162   2.049
  194    HE1  TYR  28           1HE      TYR  28  -3.465   7.140   5.037
  195    HE2  TYR  28           2HE      TYR  28  -5.435  10.626   3.433
  196    HH   TYR  28           HH       TYR  28  -3.707  10.718   4.934
  197    H    GLN  29           H        GLN  29  -9.009   3.617   1.852
  198    HA   GLN  29           HA       GLN  29  -9.784   2.403   0.144
  199   1HB   GLN  29          2HB       GLN  29 -11.550   4.824  -0.353
  200   2HB   GLN  29          3HB       GLN  29 -11.757   3.256  -1.119
  201   1HG   GLN  29          2HG       GLN  29 -11.845   3.661   1.898
  202   2HG   GLN  29          3HG       GLN  29 -13.260   3.669   0.844
  203   1HE2  GLN  29          1HE2      GLN  29 -11.356   1.638   2.788
  204   2HE2  GLN  29          2HE2      GLN  29 -11.910   0.110   2.107
  205    H    SER  30           H        SER  30  -7.354   3.502  -0.312
  206    HA   SER  30           HA       SER  30  -7.298   4.157  -3.246
  207   1HB   SER  30          2HB       SER  30  -5.480   5.196  -1.035
  208   2HB   SER  30          3HB       SER  30  -5.277   5.497  -2.777
  209    HG   SER  30           HG       SER  30  -6.406   7.203  -1.819
  210    H    CYS  31           H        CYS  31  -6.966   1.502  -1.747
  211    HA   CYS  31           HA       CYS  31  -4.320   0.544  -1.846
  212   1HB   CYS  31          2HB       CYS  31  -6.876  -1.000  -2.387
  213   2HB   CYS  31          3HB       CYS  31  -5.351  -1.631  -1.757
  214    H    CYS  32           H        CYS  32  -3.415  -1.159  -3.219
  215    HA   CYS  32           HA       CYS  32  -3.337  -0.720  -6.045
  216   1HB   CYS  32          2HB       CYS  32  -2.518  -3.288  -5.835
  217   2HB   CYS  32          3HB       CYS  32  -1.484  -1.919  -5.452
  218    H    THR  33           H        THR  33  -4.164  -2.036  -7.769
  219    HA   THR  33           HA       THR  33  -6.959  -2.338  -7.653
  220    HB   THR  33           HB       THR  33  -6.666  -3.396  -9.952
  221    HG1  THR  33           1HG      THR  33  -4.600  -3.368 -10.783
  222   1HG2  THR  33          1HG2      THR  33  -6.953  -0.951  -9.629
  223   2HG2  THR  33          2HG2      THR  33  -5.194  -0.771  -9.445
  224   3HG2  THR  33          3HG2      THR  33  -5.881  -1.320 -10.990
  225    H    ASP  34           H        ASP  34  -4.606  -4.763  -6.904
  226    HA   ASP  34           HA       ASP  34  -6.795  -6.735  -6.417
  227   1HB   ASP  34          2HB       ASP  34  -4.133  -7.243  -7.790
  228   2HB   ASP  34          3HB       ASP  34  -5.138  -8.530  -7.106
  229    H    TYR  35           H        TYR  35  -5.514  -4.803  -4.634
  230    HA   TYR  35           HA       TYR  35  -3.532  -5.482  -2.983
  231   1HB   TYR  35          2HB       TYR  35  -4.818  -3.509  -2.622
  232   2HB   TYR  35          3HB       TYR  35  -6.275  -4.429  -2.254
  233    HD1  TYR  35           1HD      TYR  35  -2.947  -3.374  -0.902
  234    HD2  TYR  35           2HD      TYR  35  -6.727  -5.260  -0.053
  235    HE1  TYR  35           1HE      TYR  35  -2.391  -3.400   1.515
  236    HE2  TYR  35           2HE      TYR  35  -6.185  -5.254   2.369
  237    HH   TYR  35           HH       TYR  35  -4.659  -4.692   3.973
  238    H    THR  36           H        THR  36  -6.768  -6.983  -2.426
  239    HA   THR  36           HA       THR  36  -5.913  -8.441  -0.134
  240    HB   THR  36           HB       THR  36  -8.043  -9.797  -0.582
  241    HG1  THR  36           1HG      THR  36  -9.436  -8.833  -2.077
  242   1HG2  THR  36          1HG2      THR  36  -9.433  -8.018   0.249
  243   2HG2  THR  36          2HG2      THR  36  -7.814  -7.792   0.939
  244   3HG2  THR  36          3HG2      THR  36  -8.352  -6.774  -0.416
  245    H    ALA  37           H        ALA  37  -5.236  -9.137  -3.389
  246    HA   ALA  37           HA       ALA  37  -4.445 -11.939  -2.698
  247   1HB   ALA  37          1HB       ALA  37  -4.826 -12.469  -5.064
  248   2HB   ALA  37          2HB       ALA  37  -6.299 -11.819  -4.319
  249   3HB   ALA  37          3HB       ALA  37  -5.310 -10.789  -5.382
  250    H    GLU  38           H        GLU  38  -3.255  -8.836  -3.793
  251    HA   GLU  38           HA       GLU  38  -0.619 -10.082  -4.517
  252   1HB   GLU  38          2HB       GLU  38  -1.874  -7.474  -5.445
  253   2HB   GLU  38          3HB       GLU  38  -0.219  -8.016  -5.788
  254   1HG   GLU  38          2HG       GLU  38  -1.226 -10.111  -6.819
  255   2HG   GLU  38          3HG       GLU  38  -2.794  -9.309  -6.731
  256    H    CYS  39           H        CYS  39  -1.992  -7.552  -2.342
  257    HA   CYS  39           HA       CYS  39   0.826  -6.790  -1.690
  258   1HB   CYS  39          2HB       CYS  39  -1.401  -4.885  -1.273
  259   2HB   CYS  39          3HB       CYS  39   0.273  -4.559  -1.629
  260    H    LYS  40           H        LYS  40  -2.271  -7.691  -0.449
  261    HA   LYS  40           HA       LYS  40  -2.635  -6.854   2.024
  262   1HB   LYS  40          2HB       LYS  40  -3.935  -8.508   0.741
  263   2HB   LYS  40          3HB       LYS  40  -2.831  -9.770   1.274
  264   1HG   LYS  40          2HG       LYS  40  -3.468  -9.254   3.654
  265   2HG   LYS  40          3HG       LYS  40  -4.516  -7.950   3.069
  266   1HD   LYS  40          2HD       LYS  40  -5.893  -9.882   3.556
  267   2HD   LYS  40          3HD       LYS  40  -5.883  -9.585   1.819
  268   1HE   LYS  40          2HE       LYS  40  -3.932 -11.367   1.782
  269   2HE   LYS  40          3HE       LYS  40  -4.513 -11.789   3.395
  270   1HZ   LYS  40          1HZ       LYS  40  -5.604 -13.150   1.722
  271   2HZ   LYS  40          2HZ       LYS  40  -6.739 -12.146   2.334
  272   3HZ   LYS  40          3HZ       LYS  40  -6.068 -11.847   0.859
  273    HA   PRO  41           HA       PRO  41   1.381  -7.787   3.852
  274   1HB   PRO  41          2HB       PRO  41   0.224  -6.002   6.020
  275   2HB   PRO  41          3HB       PRO  41   1.872  -5.961   5.318
  276   1HG   PRO  41          2HG       PRO  41   0.013  -4.164   4.507
  277   2HG   PRO  41          3HG       PRO  41   1.053  -4.975   3.291
  278   1HD   PRO  41          2HD       PRO  41  -1.803  -5.673   4.063
  279   2HD   PRO  41          3HD       PRO  41  -1.077  -5.499   2.462
  280    H    GLN  42           H        GLN  42  -0.941  -9.479   4.499
  281    HA   GLN  42           HA       GLN  42   0.204 -11.146   6.501
  282   1HB   GLN  42          2HB       GLN  42  -0.706  -9.547   8.105
  283   2HB   GLN  42          3HB       GLN  42  -2.310  -9.619   7.349
  284   1HG   GLN  42          2HG       GLN  42  -2.691 -11.841   8.144
  285   2HG   GLN  42          3HG       GLN  42  -0.983 -12.095   8.499
  286   1HE2  GLN  42          2HE2      GLN  42  -0.243 -11.619  10.554
  287   2HE2  GLN  42          1HE2      GLN  42  -1.231 -10.806  11.784
  288    H    VAL  43           H        VAL  43  -0.456 -13.222   6.099
  289    HA   VAL  43           HA       VAL  43  -3.102 -13.718   4.842
  290    HB   VAL  43           HB       VAL  43  -0.704 -15.170   3.718
  291   1HG1  VAL  43          1HG1      VAL  43  -2.191 -15.464   1.800
  292   2HG1  VAL  43          2HG1      VAL  43  -3.100 -15.912   3.249
  293   3HG1  VAL  43          3HG1      VAL  43  -3.383 -14.343   2.493
  294   1HG2  VAL  43          1HG2      VAL  43  -0.662 -13.613   1.794
  295   2HG2  VAL  43          2HG2      VAL  43  -1.756 -12.511   2.653
  296   3HG2  VAL  43          3HG2      VAL  43  -0.119 -12.830   3.275
  297    H    THR  44           H        THR  44  -2.520 -14.045   7.488
  298    HA   THR  44           HA       THR  44  -1.884 -16.671   8.355
  299    HB   THR  44           HB       THR  44  -3.943 -14.843   9.647
  300    HG1  THR  44           1HG      THR  44  -2.222 -13.871  10.676
  301   1HG2  THR  44          1HG2      THR  44  -1.905 -16.816  10.788
  302   2HG2  THR  44          2HG2      THR  44  -2.985 -15.776  11.744
  303   3HG2  THR  44          3HG2      THR  44  -3.670 -17.049  10.732
  304    H    ARG  45           H        ARG  45  -2.950 -18.546   8.190
  305    HA   ARG  45           HA       ARG  45  -5.902 -18.656   7.609
  306   1HB   ARG  45          2HB       ARG  45  -3.579 -19.913   6.115
  307   2HB   ARG  45          3HB       ARG  45  -5.195 -20.592   6.001
  308   1HG   ARG  45          2HG       ARG  45  -6.121 -18.706   4.970
  309   2HG   ARG  45          3HG       ARG  45  -4.761 -17.652   5.390
  310   1HD   ARG  45          2HD       ARG  45  -4.447 -20.055   3.561
  311   2HD   ARG  45          3HD       ARG  45  -4.871 -18.434   2.975
  312    HE   ARG  45           HE       ARG  45  -2.652 -17.997   4.574
  313   1HH1  ARG  45          1HH2      ARG  45  -3.181 -19.845   1.642
  314   2HH1  ARG  45          2HH2      ARG  45  -1.545 -19.598   1.094
  315   1HH2  ARG  45          1HH1      ARG  45  -0.632 -17.726   3.846
  316   2HH2  ARG  45          2HH1      ARG  45  -0.121 -18.423   2.331
  317    H    GLY  46           H        GLY  46  -3.837 -19.493   9.937
  318   1HA   GLY  46          2HA       GLY  46  -4.180 -20.896  11.751
  319   2HA   GLY  46          3HA       GLY  46  -5.501 -21.693  10.900
  320    H    ASP  47           H        ASP  47  -2.937 -21.829   8.814
  321    HA   ASP  47           HA       ASP  47  -1.687 -24.302   9.908
  322   1HB   ASP  47          2HB       ASP  47  -3.715 -24.770   8.444
  323   2HB   ASP  47          3HB       ASP  47  -2.859 -23.999   7.110
  324    H    VAL  48           H        VAL  48  -0.850 -21.438   9.404
  325    HA   VAL  48           HA       VAL  48   1.726 -21.814   8.083
  326    HB   VAL  48           HB       VAL  48   0.161 -21.513   6.182
  327   1HG1  VAL  48          1HG1      VAL  48  -1.534 -20.079   7.270
  328   2HG1  VAL  48          2HG1      VAL  48  -0.383 -18.721   7.265
  329   3HG1  VAL  48          3HG1      VAL  48  -0.958 -19.416   5.738
  330   1HG2  VAL  48          1HG2      VAL  48   1.375 -19.898   4.945
  331   2HG2  VAL  48          2HG2      VAL  48   1.935 -19.065   6.399
  332   3HG2  VAL  48          3HG2      VAL  48   2.519 -20.709   6.022
  333    H    PHE  49           H        PHE  49   3.069 -19.846   8.271
  334    HA   PHE  49           HA       PHE  49   2.931 -18.558  10.795
  335   1HB   PHE  49          2HB       PHE  49   4.981 -18.957   9.466
  336   2HB   PHE  49          3HB       PHE  49   4.437 -17.772   8.271
  337    HD1  PHE  49           1HD      PHE  49   5.026 -18.048  11.999
  338    HD2  PHE  49           2HD      PHE  49   5.329 -15.597   8.457
  339    HE1  PHE  49           1HE      PHE  49   6.092 -16.245  13.332
  340    HE2  PHE  49           2HE      PHE  49   6.412 -13.807   9.798
  341    HZ   PHE  49           HZ       PHE  49   6.785 -14.123  12.234
  342    H    THR  50           H        THR  50   2.818 -16.247  11.252
  343    HA   THR  50           HA       THR  50   0.276 -15.206  10.376
  344    HB   THR  50           HB       THR  50   0.746 -13.458  12.142
  345    HG1  THR  50           1HG      THR  50   2.549 -13.800  13.427
  346   1HG2  THR  50          1HG2      THR  50   0.541 -14.985  14.023
  347   2HG2  THR  50          2HG2      THR  50  -0.435 -15.570  12.667
  348   3HG2  THR  50          3HG2      THR  50   1.120 -16.347  13.038
  349    H    MET  51           H        MET  51   2.799 -14.949   8.536
  350    HA   MET  51           HA       MET  51   2.028 -12.319   7.469
  351   1HB   MET  51          2HB       MET  51   3.939 -11.851   9.008
  352   2HB   MET  51          3HB       MET  51   4.947 -12.949   8.051
  353   1HG   MET  51          2HG       MET  51   4.670 -11.526   6.073
  354   2HG   MET  51          3HG       MET  51   3.508 -10.509   6.942
  355   1HE   MET  51          1HE       MET  51   8.090 -10.565   7.702
  356   2HE   MET  51          2HE       MET  51   7.077 -11.949   8.155
  357   3HE   MET  51          3HE       MET  51   7.260 -11.503   6.443
  Start of MODEL    8
    1   1H    ASP   1          1H        ASP   1  -5.148   5.866 -14.654
    2   2H    ASP   1          2H        ASP   1  -4.841   6.157 -16.239
    3   3H    ASP   1          3H        ASP   1  -5.752   4.860 -15.795
    4    HA   ASP   1           HA       ASP   1  -3.601   4.068 -16.401
    5   1HB   ASP   1          2HB       ASP   1  -2.608   6.127 -14.385
    6   2HB   ASP   1          3HB       ASP   1  -1.608   4.839 -15.076
    7    H    GLN   2           H        GLN   2  -2.600   2.300 -15.329
    8    HA   GLN   2           HA       GLN   2  -3.549   1.637 -12.578
    9   1HB   GLN   2          2HB       GLN   2  -3.777  -0.142 -15.037
   10   2HB   GLN   2          3HB       GLN   2  -4.022  -0.676 -13.370
   11   1HG   GLN   2          2HG       GLN   2  -5.864   0.997 -13.124
   12   2HG   GLN   2          3HG       GLN   2  -5.715   1.392 -14.838
   13   1HE2  GLN   2          2HE2      GLN   2  -8.036   0.200 -13.344
   14   2HE2  GLN   2          1HE2      GLN   2  -8.359  -1.310 -14.198
   15    H    GLU   3           H        GLU   3  -2.406  -0.307 -11.724
   16    HA   GLU   3           HA       GLU   3   0.446  -0.542 -12.513
   17   1HB   GLU   3          2HB       GLU   3   1.315   0.369 -10.602
   18   2HB   GLU   3          3HB       GLU   3   0.140   1.542 -11.181
   19   1HG   GLU   3          2HG       GLU   3  -0.134  -0.363  -8.821
   20   2HG   GLU   3          3HG       GLU   3   0.107   1.374  -8.812
   21    H    SER   4           H        SER   4   1.617  -1.834 -10.668
   22    HA   SER   4           HA       SER   4  -0.072  -3.965  -9.478
   23   1HB   SER   4          2HB       SER   4   0.650  -4.896 -11.627
   24   2HB   SER   4          3HB       SER   4   2.345  -4.494 -11.257
   25    HG   SER   4           HG       SER   4   1.683  -6.714 -10.793
   26    H    CYS   5           H        CYS   5   0.744  -4.856  -7.626
   27    HA   CYS   5           HA       CYS   5   2.629  -3.267  -6.123
   28   1HB   CYS   5          2HB       CYS   5   0.515  -4.324  -5.388
   29   2HB   CYS   5          3HB       CYS   5   1.291  -5.915  -5.428
   30    H    LYS   6           H        LYS   6   3.331  -5.729  -8.323
   31    HA   LYS   6           HA       LYS   6   5.073  -7.398  -6.781
   32   1HB   LYS   6          2HB       LYS   6   3.804  -7.917  -8.961
   33   2HB   LYS   6          3HB       LYS   6   5.077  -7.049  -9.807
   34   1HG   LYS   6          2HG       LYS   6   5.538  -9.400  -9.918
   35   2HG   LYS   6          3HG       LYS   6   6.758  -8.646  -8.890
   36   1HD   LYS   6          2HD       LYS   6   6.119 -10.786  -8.008
   37   2HD   LYS   6          3HD       LYS   6   5.630  -9.558  -6.863
   38   1HE   LYS   6          2HE       LYS   6   3.677 -10.664  -8.928
   39   2HE   LYS   6          3HE       LYS   6   4.056 -11.586  -7.477
   40   1HZ   LYS   6          1HZ       LYS   6   2.901  -8.856  -7.446
   41   2HZ   LYS   6          2HZ       LYS   6   2.078 -10.228  -7.153
   42   3HZ   LYS   6          3HZ       LYS   6   3.252  -9.761  -6.120
   43    H    GLY   7           H        GLY   7   6.332  -5.950  -5.670
   44   1HA   GLY   7          2HA       GLY   7   8.900  -5.515  -5.790
   45   2HA   GLY   7          3HA       GLY   7   8.445  -4.380  -7.073
   46    H    ARG   8           H        ARG   8   5.931  -4.232  -4.874
   47    HA   ARG   8           HA       ARG   8   7.125  -1.886  -3.414
   48   1HB   ARG   8          2HB       ARG   8   4.381  -2.076  -4.729
   49   2HB   ARG   8          3HB       ARG   8   5.028  -0.713  -3.827
   50   1HG   ARG   8          2HG       ARG   8   6.961  -0.738  -5.618
   51   2HG   ARG   8          3HG       ARG   8   5.828  -1.727  -6.556
   52   1HD   ARG   8          2HD       ARG   8   5.440   0.491  -7.257
   53   2HD   ARG   8          3HD       ARG   8   4.094   0.130  -6.165
   54    HE   ARG   8           HE       ARG   8   5.288   1.382  -4.371
   55   1HH1  ARG   8          1HH2      ARG   8   6.210   2.233  -7.655
   56   2HH1  ARG   8          2HH2      ARG   8   7.093   3.635  -7.114
   57   1HH2  ARG   8          2HH1      ARG   8   6.623   2.957  -3.770
   58   2HH2  ARG   8          1HH1      ARG   8   7.261   4.084  -4.954
   59    H    CYS   9           H        CYS   9   4.721  -4.499  -3.101
   60    HA   CYS   9           HA       CYS   9   3.118  -3.700  -1.191
   61   1HB   CYS   9          2HB       CYS   9   4.411  -6.430  -1.016
   62   2HB   CYS   9          3HB       CYS   9   2.746  -5.969  -0.625
   63    H    THR  10           H        THR  10   2.956  -3.028   0.769
   64    HA   THR  10           HA       THR  10   3.392  -2.232   2.784
   65    HB   THR  10           HB       THR  10   5.175  -4.567   3.492
   66    HG1  THR  10           1HG      THR  10   3.449  -5.443   2.351
   67   1HG2  THR  10          1HG2      THR  10   3.868  -4.480   5.591
   68   2HG2  THR  10          2HG2      THR  10   4.602  -2.901   5.283
   69   3HG2  THR  10          3HG2      THR  10   2.880  -3.158   4.936
   70    H    GLU  11           H        GLU  11   5.121  -1.255   0.733
   71    HA   GLU  11           HA       GLU  11   7.783  -0.738   1.692
   72   1HB   GLU  11          2HB       GLU  11   7.702   1.181   0.131
   73   2HB   GLU  11          3HB       GLU  11   7.302  -0.351  -0.611
   74   1HG   GLU  11          2HG       GLU  11   4.845   0.244  -0.502
   75   2HG   GLU  11          3HG       GLU  11   5.301   1.795   0.232
   76    H    GLY  12           H        GLY  12   4.709   0.560   2.650
   77   1HA   GLY  12          2HA       GLY  12   4.563   1.749   4.818
   78   2HA   GLY  12          3HA       GLY  12   5.937   2.747   4.316
   79    H    PHE  13           H        PHE  13   2.994   3.311   4.911
   80    HA   PHE  13           HA       PHE  13   1.689   3.947   2.424
   81   1HB   PHE  13          2HB       PHE  13   0.148   3.647   4.078
   82   2HB   PHE  13          3HB       PHE  13   1.153   4.386   5.336
   83    HD1  PHE  13           1HD      PHE  13   1.103   6.800   5.741
   84    HD2  PHE  13           2HD      PHE  13  -1.295   5.037   2.611
   85    HE1  PHE  13           1HE      PHE  13  -0.204   8.896   5.557
   86    HE2  PHE  13           2HE      PHE  13  -2.615   7.102   2.465
   87    HZ   PHE  13           HZ       PHE  13  -2.060   9.058   3.917
   88    H    ASN  14           H        ASN  14   1.447   5.731   1.311
   89    HA   ASN  14           HA       ASN  14   2.046   8.381   2.196
   90   1HB   ASN  14          2HB       ASN  14   4.375   7.803   1.678
   91   2HB   ASN  14          3HB       ASN  14   3.904   7.160   0.102
   92   1HD2  ASN  14          2HD2      ASN  14   5.710   8.777  -0.456
   93   2HD2  ASN  14          1HD2      ASN  14   5.162  10.416  -0.805
   94    H    VAL  15           H        VAL  15   0.049   8.980   1.576
   95    HA   VAL  15           HA       VAL  15  -1.479   7.824  -0.429
   96    HB   VAL  15           HB       VAL  15  -2.204   9.098   1.570
   97   1HG1  VAL  15          1HG1      VAL  15  -2.711  11.411   1.462
   98   2HG1  VAL  15          2HG1      VAL  15  -0.975  11.156   1.241
   99   3HG1  VAL  15          3HG1      VAL  15  -2.002  11.548  -0.168
  100   1HG2  VAL  15          1HG2      VAL  15  -4.344   9.695   0.676
  101   2HG2  VAL  15          2HG2      VAL  15  -3.708   9.662  -0.981
  102   3HG2  VAL  15          3HG2      VAL  15  -3.763   8.169  -0.003
  103    H    ASP  16           H        ASP  16   0.968  10.165  -0.994
  104    HA   ASP  16           HA       ASP  16   0.052  11.200  -3.530
  105   1HB   ASP  16          2HB       ASP  16   1.794  12.217  -2.059
  106   2HB   ASP  16          3HB       ASP  16   2.861  10.855  -2.441
  107    H    LYS  17           H        LYS  17   1.481   8.103  -2.640
  108    HA   LYS  17           HA       LYS  17   2.679   7.459  -5.194
  109   1HB   LYS  17          2HB       LYS  17   1.715   5.644  -2.940
  110   2HB   LYS  17          3HB       LYS  17   2.676   5.109  -4.331
  111   1HG   LYS  17          2HG       LYS  17   4.487   6.683  -3.674
  112   2HG   LYS  17          3HG       LYS  17   3.569   7.119  -2.227
  113   1HD   LYS  17          2HD       LYS  17   4.718   4.381  -2.922
  114   2HD   LYS  17          3HD       LYS  17   5.294   5.507  -1.693
  115   1HE   LYS  17          2HE       LYS  17   4.149   4.182  -0.293
  116   2HE   LYS  17          3HE       LYS  17   2.787   5.219  -0.750
  117   1HZ   LYS  17          1HZ       LYS  17   2.408   2.750  -0.837
  118   2HZ   LYS  17          2HZ       LYS  17   2.053   3.478  -2.276
  119   3HZ   LYS  17          3HZ       LYS  17   3.459   2.638  -2.078
  120    H    LYS  18           H        LYS  18   2.018   6.104  -6.832
  121    HA   LYS  18           HA       LYS  18  -0.642   6.329  -7.709
  122   1HB   LYS  18          2HB       LYS  18   1.282   6.040  -9.200
  123   2HB   LYS  18          3HB       LYS  18   1.512   4.385  -8.620
  124   1HG   LYS  18          2HG       LYS  18   0.436   4.411 -10.815
  125   2HG   LYS  18          3HG       LYS  18  -0.661   3.739  -9.604
  126   1HD   LYS  18          2HD       LYS  18  -1.764   6.038  -9.449
  127   2HD   LYS  18          3HD       LYS  18  -0.695   6.565 -10.752
  128   1HE   LYS  18          2HE       LYS  18  -2.728   6.036 -11.809
  129   2HE   LYS  18          3HE       LYS  18  -1.652   4.684 -12.177
  130   1HZ   LYS  18          1HZ       LYS  18  -3.890   3.978 -11.493
  131   2HZ   LYS  18          2HZ       LYS  18  -2.776   3.387 -10.445
  132   3HZ   LYS  18          3HZ       LYS  18  -3.702   4.670 -10.018
  133    H    CYS  19           H        CYS  19   0.767   3.761  -5.793
  134    HA   CYS  19           HA       CYS  19  -1.993   2.676  -5.393
  135   1HB   CYS  19          2HB       CYS  19  -1.195   0.482  -5.078
  136   2HB   CYS  19          3HB       CYS  19  -0.623   1.004  -6.657
  137    H    GLN  20           H        GLN  20  -2.598   2.375  -3.363
  138    HA   GLN  20           HA       GLN  20  -0.612   2.825  -1.169
  139   1HB   GLN  20          2HB       GLN  20  -3.637   2.677  -1.062
  140   2HB   GLN  20          3HB       GLN  20  -2.545   2.983   0.303
  141   1HG   GLN  20          2HG       GLN  20  -3.053   4.771  -2.108
  142   2HG   GLN  20          3HG       GLN  20  -3.389   5.127  -0.410
  143   1HE2  GLN  20          2HE2      GLN  20  -1.261   5.988  -2.876
  144   2HE2  GLN  20          1HE2      GLN  20   0.082   6.380  -1.797
  145    H    CYS  21           H        CYS  21   0.316   0.972  -2.228
  146    HA   CYS  21           HA       CYS  21  -0.601  -1.739  -1.829
  147   1HB   CYS  21          2HB       CYS  21   2.072  -0.330  -2.335
  148   2HB   CYS  21          3HB       CYS  21   1.910  -2.068  -2.243
  149    H    ASP  22           H        ASP  22  -0.979  -0.171   0.621
  150    HA   ASP  22           HA       ASP  22   1.008  -1.312   2.533
  151   1HB   ASP  22          2HB       ASP  22   0.204   1.609   2.304
  152   2HB   ASP  22          3HB       ASP  22   1.329   0.933   3.493
  153    H    GLU  23           H        GLU  23   0.530  -0.586   4.780
  154    HA   GLU  23           HA       GLU  23  -1.708  -1.993   5.678
  155   1HB   GLU  23          2HB       GLU  23   0.024  -0.080   7.290
  156   2HB   GLU  23          3HB       GLU  23  -0.870  -1.485   7.885
  157   1HG   GLU  23          2HG       GLU  23   0.571  -2.930   6.386
  158   2HG   GLU  23          3HG       GLU  23   1.559  -1.507   6.035
  159    H    LEU  24           H        LEU  24  -1.847   1.254   4.734
  160    HA   LEU  24           HA       LEU  24  -4.231   1.846   6.477
  161   1HB   LEU  24          2HB       LEU  24  -2.140   3.738   5.345
  162   2HB   LEU  24          3HB       LEU  24  -3.570   4.229   6.243
  163    HG   LEU  24           HG       LEU  24  -1.280   2.559   7.369
  164   1HD1  LEU  24          1HD1      LEU  24  -2.112   5.447   7.870
  165   2HD1  LEU  24          2HD1      LEU  24  -0.794   4.576   8.688
  166   3HD1  LEU  24          3HD1      LEU  24  -0.688   4.914   6.956
  167   1HD2  LEU  24          1HD2      LEU  24  -3.372   1.985   8.527
  168   2HD2  LEU  24          2HD2      LEU  24  -2.366   2.992   9.569
  169   3HD2  LEU  24          3HD2      LEU  24  -3.759   3.710   8.728
  170    H    CYS  25           H        CYS  25  -3.651   0.877   3.404
  171    HA   CYS  25           HA       CYS  25  -4.618   2.883   1.756
  172   1HB   CYS  25          2HB       CYS  25  -4.658   1.290   0.094
  173   2HB   CYS  25          3HB       CYS  25  -3.493   0.661   1.264
  174    H    SER  26           H        SER  26  -6.658   0.527   3.474
  175    HA   SER  26           HA       SER  26  -9.048   0.925   1.994
  176   1HB   SER  26          2HB       SER  26  -8.579  -0.976   3.525
  177   2HB   SER  26          3HB       SER  26  -8.756   0.113   4.915
  178    HG   SER  26           HG       SER  26 -10.695  -1.056   4.393
  179    H    TYR  27           H        TYR  27  -7.835   2.589   4.882
  180    HA   TYR  27           HA       TYR  27 -10.056   4.310   5.389
  181   1HB   TYR  27          2HB       TYR  27  -8.556   3.868   7.093
  182   2HB   TYR  27          3HB       TYR  27  -7.142   4.180   6.110
  183    HD1  TYR  27           1HD      TYR  27  -5.933   6.088   6.452
  184    HD2  TYR  27           2HD      TYR  27 -10.111   6.050   7.522
  185    HE1  TYR  27           1HE      TYR  27  -5.700   8.369   7.400
  186    HE2  TYR  27           2HE      TYR  27  -9.881   8.339   8.480
  187    HH   TYR  27           HH       TYR  27  -8.479  10.104   8.888
  188    H    TYR  28           H        TYR  28  -7.818   4.416   2.771
  189    HA   TYR  28           HA       TYR  28  -8.720   7.182   2.045
  190   1HB   TYR  28          2HB       TYR  28  -6.194   5.645   1.349
  191   2HB   TYR  28          3HB       TYR  28  -6.687   7.129   0.532
  192    HD1  TYR  28           1HD      TYR  28  -5.121   5.770   3.525
  193    HD2  TYR  28           2HD      TYR  28  -6.939   9.273   1.779
  194    HE1  TYR  28           1HE      TYR  28  -4.037   7.200   5.247
  195    HE2  TYR  28           2HE      TYR  28  -5.857  10.699   3.502
  196    HH   TYR  28           HH       TYR  28  -4.496  10.760   5.345
  197    H    GLN  29           H        GLN  29  -9.543   4.044   1.373
  198    HA   GLN  29           HA       GLN  29 -10.222   2.826  -0.415
  199   1HB   GLN  29          2HB       GLN  29 -11.432   5.438  -1.385
  200   2HB   GLN  29          3HB       GLN  29 -11.998   3.811  -1.738
  201   1HG   GLN  29          2HG       GLN  29 -12.089   5.229   0.955
  202   2HG   GLN  29          3HG       GLN  29 -13.449   4.911  -0.119
  203   1HE2  GLN  29          2HE2      GLN  29 -13.258   4.112   2.664
  204   2HE2  GLN  29          1HE2      GLN  29 -13.183   2.355   2.705
  205    H    SER  30           H        SER  30  -7.573   3.710  -0.739
  206    HA   SER  30           HA       SER  30  -7.275   4.208  -3.692
  207   1HB   SER  30          2HB       SER  30  -5.735   5.334  -1.326
  208   2HB   SER  30          3HB       SER  30  -5.211   5.505  -3.012
  209    HG   SER  30           HG       SER  30  -7.656   6.446  -1.892
  210    H    CYS  31           H        CYS  31  -7.135   1.626  -2.031
  211    HA   CYS  31           HA       CYS  31  -4.492   0.597  -2.002
  212   1HB   CYS  31          2HB       CYS  31  -7.037  -0.937  -2.585
  213   2HB   CYS  31          3HB       CYS  31  -5.551  -1.538  -1.842
  214    H    CYS  32           H        CYS  32  -3.551  -1.064  -3.358
  215    HA   CYS  32           HA       CYS  32  -3.481  -0.659  -6.200
  216   1HB   CYS  32          2HB       CYS  32  -2.409  -3.025  -6.076
  217   2HB   CYS  32          3HB       CYS  32  -1.577  -1.697  -5.264
  218    H    THR  33           H        THR  33  -4.096  -2.268  -7.837
  219    HA   THR  33           HA       THR  33  -6.840  -2.583  -8.004
  220    HB   THR  33           HB       THR  33  -6.394  -4.057  -9.971
  221    HG1  THR  33           1HG      THR  33  -4.201  -4.383 -10.498
  222   1HG2  THR  33          1HG2      THR  33  -5.225  -2.408 -11.310
  223   2HG2  THR  33          2HG2      THR  33  -6.295  -1.570 -10.175
  224   3HG2  THR  33          3HG2      THR  33  -4.546  -1.634  -9.863
  225    H    ASP  34           H        ASP  34  -4.695  -4.974  -6.581
  226    HA   ASP  34           HA       ASP  34  -7.035  -6.696  -5.981
  227   1HB   ASP  34          2HB       ASP  34  -5.880  -7.412  -8.140
  228   2HB   ASP  34          3HB       ASP  34  -4.465  -7.820  -7.159
  229    H    TYR  35           H        TYR  35  -5.814  -4.963  -4.247
  230    HA   TYR  35           HA       TYR  35  -3.652  -5.504  -2.768
  231   1HB   TYR  35          2HB       TYR  35  -5.129  -3.601  -2.403
  232   2HB   TYR  35          3HB       TYR  35  -6.370  -4.651  -1.720
  233    HD1  TYR  35           1HD      TYR  35  -3.182  -2.905  -1.096
  234    HD2  TYR  35           2HD      TYR  35  -6.142  -5.569   0.571
  235    HE1  TYR  35           1HE      TYR  35  -2.352  -2.400   1.166
  236    HE2  TYR  35           2HE      TYR  35  -5.301  -5.045   2.859
  237    HH   TYR  35           HH       TYR  35  -2.811  -2.527   3.373
  238    H    THR  36           H        THR  36  -6.764  -7.084  -1.844
  239    HA   THR  36           HA       THR  36  -5.665  -8.438   0.348
  240    HB   THR  36           HB       THR  36  -8.036  -9.617  -1.080
  241    HG1  THR  36           1HG      THR  36  -9.310  -7.928  -0.339
  242   1HG2  THR  36          1HG2      THR  36  -7.479  -8.798   1.816
  243   2HG2  THR  36          2HG2      THR  36  -8.961  -9.594   1.235
  244   3HG2  THR  36          3HG2      THR  36  -7.421 -10.455   1.179
  245    H    ALA  37           H        ALA  37  -5.200  -9.305  -2.950
  246    HA   ALA  37           HA       ALA  37  -4.279 -12.041  -2.133
  247   1HB   ALA  37          1HB       ALA  37  -6.281 -12.103  -3.560
  248   2HB   ALA  37          2HB       ALA  37  -5.426 -11.155  -4.799
  249   3HB   ALA  37          3HB       ALA  37  -4.864 -12.786  -4.381
  250    H    GLU  38           H        GLU  38  -3.347  -9.058  -3.765
  251    HA   GLU  38           HA       GLU  38  -0.695 -10.285  -4.468
  252   1HB   GLU  38          2HB       GLU  38  -2.318  -8.057  -5.738
  253   2HB   GLU  38          3HB       GLU  38  -0.622  -8.345  -6.129
  254   1HG   GLU  38          2HG       GLU  38  -2.872 -10.362  -6.495
  255   2HG   GLU  38          3HG       GLU  38  -2.148  -9.379  -7.766
  256    H    CYS  39           H        CYS  39  -2.084  -7.745  -2.476
  257    HA   CYS  39           HA       CYS  39   0.665  -6.656  -2.069
  258   1HB   CYS  39          2HB       CYS  39  -1.749  -5.024  -1.516
  259   2HB   CYS  39          3HB       CYS  39  -0.140  -4.494  -1.910
  260    H    LYS  40           H        LYS  40  -1.933  -8.183  -0.502
  261    HA   LYS  40           HA       LYS  40  -2.388  -7.140   1.845
  262   1HB   LYS  40          2HB       LYS  40  -3.299  -9.231   0.890
  263   2HB   LYS  40          3HB       LYS  40  -1.908 -10.110   1.542
  264   1HG   LYS  40          2HG       LYS  40  -2.530  -9.366   3.835
  265   2HG   LYS  40          3HG       LYS  40  -3.891  -8.436   3.164
  266   1HD   LYS  40          2HD       LYS  40  -4.904 -10.532   2.316
  267   2HD   LYS  40          3HD       LYS  40  -3.534 -11.459   2.969
  268   1HE   LYS  40          2HE       LYS  40  -4.070 -10.569   5.235
  269   2HE   LYS  40          3HE       LYS  40  -5.481  -9.737   4.572
  270   1HZ   LYS  40          1HZ       LYS  40  -5.084 -12.687   4.552
  271   2HZ   LYS  40          2HZ       LYS  40  -6.117 -11.879   5.525
  272   3HZ   LYS  40          3HZ       LYS  40  -6.376 -11.917   3.915
  273    HA   PRO  41           HA       PRO  41   1.566  -6.840   4.123
  274   1HB   PRO  41          2HB       PRO  41  -0.430  -5.622   6.028
  275   2HB   PRO  41          3HB       PRO  41   1.221  -5.065   5.605
  276   1HG   PRO  41          2HG       PRO  41  -0.947  -3.856   4.544
  277   2HG   PRO  41          3HG       PRO  41   0.467  -4.219   3.498
  278   1HD   PRO  41          2HD       PRO  41  -2.117  -5.786   3.771
  279   2HD   PRO  41          3HD       PRO  41  -1.231  -5.319   2.299
  280    H    GLN  42           H        GLN  42   1.909  -7.120   6.633
  281    HA   GLN  42           HA       GLN  42   1.906  -9.728   7.368
  282   1HB   GLN  42          2HB       GLN  42   2.299  -8.977   9.663
  283   2HB   GLN  42          3HB       GLN  42   3.214  -8.049   8.466
  284   1HG   GLN  42          2HG       GLN  42   1.524  -6.199   8.648
  285   2HG   GLN  42          3HG       GLN  42   0.695  -7.100   9.917
  286   1HE2  GLN  42          2HE2      GLN  42   2.323  -4.425   9.819
  287   2HE2  GLN  42          1HE2      GLN  42   3.423  -4.638  11.192
  288    H    VAL  43           H        VAL  43   0.679 -11.247   8.140
  289    HA   VAL  43           HA       VAL  43  -2.195 -10.782   8.738
  290    HB   VAL  43           HB       VAL  43  -0.613 -13.340   8.249
  291   1HG1  VAL  43          1HG1      VAL  43  -3.624 -12.919   8.513
  292   2HG1  VAL  43          2HG1      VAL  43  -2.849 -14.403   7.925
  293   3HG1  VAL  43          3HG1      VAL  43  -2.590 -13.894   9.587
  294   1HG2  VAL  43          1HG2      VAL  43  -0.794 -11.962   6.206
  295   2HG2  VAL  43          2HG2      VAL  43  -1.827 -13.385   6.081
  296   3HG2  VAL  43          3HG2      VAL  43  -2.543 -11.801   6.457
  297    H    THR  44           H        THR  44  -3.185 -11.594  10.621
  298    HA   THR  44           HA       THR  44  -2.135 -10.997  13.064
  299    HB   THR  44           HB       THR  44  -4.191 -13.189  12.603
  300    HG1  THR  44           1HG      THR  44  -5.671 -11.494  12.483
  301   1HG2  THR  44          1HG2      THR  44  -3.630 -12.840  14.988
  302   2HG2  THR  44          2HG2      THR  44  -3.893 -11.089  14.806
  303   3HG2  THR  44          3HG2      THR  44  -5.248 -12.229  14.637
  304    H    ARG  45           H        ARG  45  -1.013 -11.919  14.691
  305    HA   ARG  45           HA       ARG  45  -0.306 -14.785  14.720
  306   1HB   ARG  45          2HB       ARG  45   1.367 -13.097  13.314
  307   2HB   ARG  45          3HB       ARG  45   2.010 -12.863  14.927
  308   1HG   ARG  45          2HG       ARG  45   3.302 -14.604  13.964
  309   2HG   ARG  45          3HG       ARG  45   2.204 -15.430  15.074
  310   1HD   ARG  45          2HD       ARG  45   2.160 -16.740  13.129
  311   2HD   ARG  45          3HD       ARG  45   0.663 -15.822  13.042
  312    HE   ARG  45           HE       ARG  45   3.183 -15.061  11.579
  313   1HH1  ARG  45          2HH2      ARG  45  -0.323 -15.224  11.408
  314   2HH1  ARG  45          1HH2      ARG  45  -0.305 -15.272   9.667
  315   1HH2  ARG  45          2HH1      ARG  45   3.090 -14.846   9.394
  316   2HH2  ARG  45          1HH1      ARG  45   1.562 -14.902   8.570
  317    H    GLY  46           H        GLY  46   1.119 -15.275  16.656
  318   1HA   GLY  46          2HA       GLY  46   0.020 -14.108  19.097
  319   2HA   GLY  46          3HA       GLY  46   1.159 -15.447  18.968
  320    H    ASP  47           H        ASP  47   2.120 -12.597  17.277
  321    HA   ASP  47           HA       ASP  47   3.638 -11.382  19.480
  322   1HB   ASP  47          2HB       ASP  47   5.108 -13.193  18.556
  323   2HB   ASP  47          3HB       ASP  47   4.966 -12.465  16.954
  324    H    VAL  48           H        VAL  48   4.440  -9.231  18.869
  325    HA   VAL  48           HA       VAL  48   3.195  -7.976  16.492
  326    HB   VAL  48           HB       VAL  48   1.463  -8.196  18.288
  327   1HG1  VAL  48          1HG1      VAL  48   2.885  -7.836  20.283
  328   2HG1  VAL  48          2HG1      VAL  48   3.098  -6.134  19.816
  329   3HG1  VAL  48          3HG1      VAL  48   1.489  -6.750  20.235
  330   1HG2  VAL  48          1HG2      VAL  48   0.496  -6.052  18.039
  331   2HG2  VAL  48          2HG2      VAL  48   2.048  -5.284  17.694
  332   3HG2  VAL  48          3HG2      VAL  48   1.336  -6.433  16.529
  333    H    PHE  49           H        PHE  49   3.687  -5.680  16.299
  334    HA   PHE  49           HA       PHE  49   6.434  -5.005  17.277
  335   1HB   PHE  49          2HB       PHE  49   5.037  -4.227  14.693
  336   2HB   PHE  49          3HB       PHE  49   6.699  -3.835  15.142
  337    HD1  PHE  49           1HD      PHE  49   4.624  -6.197  13.436
  338    HD2  PHE  49           2HD      PHE  49   8.320  -5.826  15.627
  339    HE1  PHE  49           1HE      PHE  49   5.457  -8.282  12.383
  340    HE2  PHE  49           2HE      PHE  49   9.149  -7.920  14.576
  341    HZ   PHE  49           HZ       PHE  49   7.721  -9.150  12.951
  342    H    THR  50           H        THR  50   6.654  -2.411  16.595
  343    HA   THR  50           HA       THR  50   5.258  -0.977  18.664
  344    HB   THR  50           HB       THR  50   6.437   1.008  17.648
  345    HG1  THR  50           1HG      THR  50   7.905   0.560  15.997
  346   1HG2  THR  50          1HG2      THR  50   7.530  -0.386  19.386
  347   2HG2  THR  50          2HG2      THR  50   8.209  -1.434  18.121
  348   3HG2  THR  50          3HG2      THR  50   8.697   0.270  18.228
  349    H    MET  51           H        MET  51   4.292  -1.667  15.461
  350    HA   MET  51           HA       MET  51   2.806   0.597  14.655
  351   1HB   MET  51          2HB       MET  51   3.401  -1.359  13.238
  352   2HB   MET  51          3HB       MET  51   2.249  -2.350  14.135
  353   1HG   MET  51          2HG       MET  51   1.271  -1.672  12.053
  354   2HG   MET  51          3HG       MET  51   0.401  -0.874  13.368
  355   1HE   MET  51          1HE       MET  51  -0.743   0.649  11.475
  356   2HE   MET  51          2HE       MET  51   0.180   1.608  10.296
  357   3HE   MET  51          3HE       MET  51   0.227  -0.168  10.228
  Start of MODEL    9
    1   1H    ASP   1          1H        ASP   1   3.577  -1.656 -18.791
    2   2H    ASP   1          2H        ASP   1   3.915  -0.058 -18.679
    3   3H    ASP   1          3H        ASP   1   5.118  -1.122 -19.017
    4    HA   ASP   1           HA       ASP   1   4.846  -2.169 -16.852
    5   1HB   ASP   1          2HB       ASP   1   5.490   0.810 -16.849
    6   2HB   ASP   1          3HB       ASP   1   5.802  -0.293 -15.498
    7    H    GLN   2           H        GLN   2   3.900  -2.159 -14.778
    8    HA   GLN   2           HA       GLN   2   1.576  -0.435 -14.209
    9   1HB   GLN   2          2HB       GLN   2   0.749  -2.311 -15.666
   10   2HB   GLN   2          3HB       GLN   2   1.360  -3.471 -14.482
   11   1HG   GLN   2          2HG       GLN   2  -0.242  -2.610 -12.799
   12   2HG   GLN   2          3HG       GLN   2  -0.752  -1.344 -13.921
   13   1HE2  GLN   2          2HE2      GLN   2  -2.955  -2.003 -14.085
   14   2HE2  GLN   2          1HE2      GLN   2  -3.400  -3.551 -14.802
   15    H    GLU   3           H        GLU   3   1.022  -0.450 -11.961
   16    HA   GLU   3           HA       GLU   3   3.143  -1.221 -10.138
   17   1HB   GLU   3          2HB       GLU   3   0.320  -0.161  -9.729
   18   2HB   GLU   3          3HB       GLU   3   1.386  -0.561  -8.377
   19   1HG   GLU   3          2HG       GLU   3   2.133   1.467 -10.522
   20   2HG   GLU   3          3HG       GLU   3   1.283   1.869  -9.033
   21    H    SER   4           H        SER   4   3.433  -2.950  -8.953
   22    HA   SER   4           HA       SER   4   1.231  -4.664  -8.082
   23   1HB   SER   4          2HB       SER   4   1.951  -5.744 -10.199
   24   2HB   SER   4          3HB       SER   4   3.608  -5.874  -9.557
   25    HG   SER   4           HG       SER   4   2.192  -7.762  -9.264
   26    H    CYS   5           H        CYS   5   1.837  -5.916  -6.251
   27    HA   CYS   5           HA       CYS   5   3.624  -4.366  -4.563
   28   1HB   CYS   5          2HB       CYS   5   1.229  -5.104  -4.192
   29   2HB   CYS   5          3HB       CYS   5   1.868  -6.699  -3.757
   30    H    LYS   6           H        LYS   6   4.879  -6.519  -6.448
   31    HA   LYS   6           HA       LYS   6   5.650  -8.749  -4.785
   32   1HB   LYS   6          2HB       LYS   6   6.961  -7.830  -7.352
   33   2HB   LYS   6          3HB       LYS   6   7.046  -9.433  -6.617
   34   1HG   LYS   6          2HG       LYS   6   4.639  -8.131  -7.957
   35   2HG   LYS   6          3HG       LYS   6   5.609  -9.485  -8.520
   36   1HD   LYS   6          2HD       LYS   6   3.664 -10.478  -7.811
   37   2HD   LYS   6          3HD       LYS   6   4.757 -10.773  -6.450
   38   1HE   LYS   6          2HE       LYS   6   3.696  -8.878  -5.228
   39   2HE   LYS   6          3HE       LYS   6   2.679  -8.530  -6.633
   40   1HZ   LYS   6          1HZ       LYS   6   1.561  -9.827  -4.883
   41   2HZ   LYS   6          2HZ       LYS   6   1.547 -10.614  -6.312
   42   3HZ   LYS   6          3HZ       LYS   6   2.587 -11.086  -5.125
   43    H    GLY   7           H        GLY   7   6.598  -8.265  -2.956
   44   1HA   GLY   7          2HA       GLY   7   8.442  -7.996  -1.551
   45   2HA   GLY   7          3HA       GLY   7   9.395  -7.331  -2.888
   46    H    ARG   8           H        ARG   8   6.201  -5.989  -2.160
   47    HA   ARG   8           HA       ARG   8   7.517  -3.461  -1.148
   48   1HB   ARG   8          2HB       ARG   8   5.320  -3.868  -3.198
   49   2HB   ARG   8          3HB       ARG   8   5.750  -2.306  -2.515
   50   1HG   ARG   8          2HG       ARG   8   7.984  -2.398  -3.445
   51   2HG   ARG   8          3HG       ARG   8   7.717  -4.052  -4.028
   52   1HD   ARG   8          2HD       ARG   8   7.460  -2.456  -5.838
   53   2HD   ARG   8          3HD       ARG   8   5.945  -3.313  -5.510
   54    HE   ARG   8           HE       ARG   8   5.831  -0.909  -4.013
   55   1HH1  ARG   8          1HH1      ARG   8   5.818  -1.765  -7.415
   56   2HH1  ARG   8          2HH1      ARG   8   5.035  -0.250  -7.855
   57   1HH2  ARG   8          1HH2      ARG   8   4.767   0.784  -4.571
   58   2HH2  ARG   8          2HH2      ARG   8   4.303   1.104  -6.267
   59    H    CYS   9           H        CYS   9   4.685  -5.458  -0.676
   60    HA   CYS   9           HA       CYS   9   2.837  -3.858   0.263
   61   1HB   CYS   9          2HB       CYS   9   3.353  -6.601   1.401
   62   2HB   CYS   9          3HB       CYS   9   1.801  -5.782   1.162
   63    H    THR  10           H        THR  10   5.370  -3.134   1.827
   64    HA   THR  10           HA       THR  10   4.004  -2.197   4.250
   65    HB   THR  10           HB       THR  10   5.985  -2.745   5.675
   66    HG1  THR  10           1HG      THR  10   7.423  -4.300   4.927
   67   1HG2  THR  10          1HG2      THR  10   4.744  -5.263   4.505
   68   2HG2  THR  10          2HG2      THR  10   5.465  -5.053   6.113
   69   3HG2  THR  10          3HG2      THR  10   3.961  -4.210   5.703
   70    H    GLU  11           H        GLU  11   5.301  -1.261   1.536
   71    HA   GLU  11           HA       GLU  11   7.653   0.166   2.017
   72   1HB   GLU  11          2HB       GLU  11   7.152   1.353  -0.059
   73   2HB   GLU  11          3HB       GLU  11   6.985  -0.387  -0.220
   74   1HG   GLU  11          2HG       GLU  11   4.555  -0.213  -0.286
   75   2HG   GLU  11          3HG       GLU  11   4.613   1.485   0.210
   76    H    GLY  12           H        GLY  12   4.589   1.126   3.128
   77   1HA   GLY  12          2HA       GLY  12   4.206   2.859   4.629
   78   2HA   GLY  12          3HA       GLY  12   5.649   3.710   4.089
   79    H    PHE  13           H        PHE  13   2.850   4.524   4.555
   80    HA   PHE  13           HA       PHE  13   1.459   5.009   2.131
   81   1HB   PHE  13          2HB       PHE  13   0.272   4.791   4.156
   82   2HB   PHE  13          3HB       PHE  13   1.258   6.013   4.980
   83    HD1  PHE  13           1HD      PHE  13  -0.785   5.899   1.795
   84    HD2  PHE  13           2HD      PHE  13  -0.021   7.871   5.559
   85    HE1  PHE  13           1HE      PHE  13  -2.662   7.431   1.378
   86    HE2  PHE  13           2HE      PHE  13  -1.878   9.452   5.105
   87    HZ   PHE  13           HZ       PHE  13  -3.222   9.222   3.025
   88    H    ASN  14           H        ASN  14   1.376   6.575   0.756
   89    HA   ASN  14           HA       ASN  14   1.857   9.354   1.344
   90   1HB   ASN  14          2HB       ASN  14   4.193   8.810   0.845
   91   2HB   ASN  14          3HB       ASN  14   3.702   7.941  -0.618
   92   1HD2  ASN  14          2HD2      ASN  14   5.431   9.531  -1.468
   93   2HD2  ASN  14          1HD2      ASN  14   4.781  11.061  -2.048
   94    H    VAL  15           H        VAL  15  -0.222   9.715   0.740
   95    HA   VAL  15           HA       VAL  15  -1.672   8.217  -1.082
   96    HB   VAL  15           HB       VAL  15  -2.429   9.640   0.821
   97   1HG1  VAL  15          1HG1      VAL  15  -3.264  11.796   0.544
   98   2HG1  VAL  15          2HG1      VAL  15  -1.535  11.785   0.183
   99   3HG1  VAL  15          3HG1      VAL  15  -2.718  11.872  -1.157
  100   1HG2  VAL  15          1HG2      VAL  15  -4.680   9.805   0.052
  101   2HG2  VAL  15          2HG2      VAL  15  -4.158   9.717  -1.646
  102   3HG2  VAL  15          3HG2      VAL  15  -3.935   8.322  -0.556
  103    H    ASP  16           H        ASP  16   0.557  10.605  -2.022
  104    HA   ASP  16           HA       ASP  16  -0.583  11.259  -4.618
  105   1HB   ASP  16          2HB       ASP  16   1.033  12.661  -3.309
  106   2HB   ASP  16          3HB       ASP  16   2.275  11.439  -3.624
  107    H    LYS  17           H        LYS  17   1.124   8.439  -3.435
  108    HA   LYS  17           HA       LYS  17   2.453   7.647  -5.876
  109   1HB   LYS  17          2HB       LYS  17   1.519   6.024  -3.472
  110   2HB   LYS  17          3HB       LYS  17   2.496   5.366  -4.784
  111   1HG   LYS  17          2HG       LYS  17   4.365   6.779  -4.229
  112   2HG   LYS  17          3HG       LYS  17   3.415   7.669  -3.014
  113   1HD   LYS  17          2HD       LYS  17   3.134   5.643  -1.668
  114   2HD   LYS  17          3HD       LYS  17   3.912   4.658  -2.925
  115   1HE   LYS  17          2HE       LYS  17   6.036   5.853  -2.586
  116   2HE   LYS  17          3HE       LYS  17   5.298   6.854  -1.323
  117   1HZ   LYS  17          1HZ       LYS  17   5.548   3.897  -1.247
  118   2HZ   LYS  17          2HZ       LYS  17   6.498   4.929  -0.400
  119   3HZ   LYS  17          3HZ       LYS  17   4.906   4.795  -0.033
  120    H    LYS  18           H        LYS  18   1.976   5.976  -7.319
  121    HA   LYS  18           HA       LYS  18  -0.665   5.986  -8.434
  122   1HB   LYS  18          2HB       LYS  18   1.932   4.599  -9.063
  123   2HB   LYS  18          3HB       LYS  18   0.451   3.984  -9.806
  124   1HG   LYS  18          2HG       LYS  18   1.459   5.513 -11.328
  125   2HG   LYS  18          3HG       LYS  18  -0.043   6.228 -10.714
  126   1HD   LYS  18          2HD       LYS  18   1.319   7.621  -9.129
  127   2HD   LYS  18          3HD       LYS  18   2.787   6.882  -9.769
  128   1HE   LYS  18          2HE       LYS  18   2.564   9.015 -10.805
  129   2HE   LYS  18          3HE       LYS  18   2.244   7.789 -12.034
  130   1HZ   LYS  18          1HZ       LYS  18  -0.144   8.225 -11.735
  131   2HZ   LYS  18          2HZ       LYS  18   0.162   9.337 -10.571
  132   3HZ   LYS  18          3HZ       LYS  18   0.627   9.609 -12.109
  133    H    CYS  19           H        CYS  19   0.720   3.838  -6.111
  134    HA   CYS  19           HA       CYS  19  -1.940   2.568  -5.725
  135   1HB   CYS  19          2HB       CYS  19  -1.103   0.420  -5.345
  136   2HB   CYS  19          3HB       CYS  19  -0.465   0.867  -6.928
  137    H    GLN  20           H        GLN  20  -2.265   1.948  -3.585
  138    HA   GLN  20           HA       GLN  20  -0.244   2.901  -1.587
  139   1HB   GLN  20          2HB       GLN  20  -3.235   2.638  -1.211
  140   2HB   GLN  20          3HB       GLN  20  -2.044   3.198  -0.032
  141   1HG   GLN  20          2HG       GLN  20  -2.738   4.588  -2.666
  142   2HG   GLN  20          3HG       GLN  20  -3.195   5.150  -1.070
  143   1HE2  GLN  20          2HE2      GLN  20  -1.407   6.324  -3.344
  144   2HE2  GLN  20          1HE2      GLN  20  -0.012   6.820  -2.375
  145    H    CYS  21           H        CYS  21   0.712   0.999  -2.426
  146    HA   CYS  21           HA       CYS  21  -0.276  -1.677  -1.818
  147   1HB   CYS  21          2HB       CYS  21   2.462  -0.615  -2.688
  148   2HB   CYS  21          3HB       CYS  21   1.989  -2.305  -2.592
  149    H    ASP  22           H        ASP  22  -0.547  -0.430   0.531
  150    HA   ASP  22           HA       ASP  22   1.621  -1.369   2.322
  151   1HB   ASP  22          2HB       ASP  22   2.298   0.879   1.551
  152   2HB   ASP  22          3HB       ASP  22   0.736   1.532   2.059
  153    H    GLU  23           H        GLU  23   1.071  -0.946   4.632
  154    HA   GLU  23           HA       GLU  23  -1.153  -2.480   5.281
  155   1HB   GLU  23          2HB       GLU  23   0.407  -0.597   7.092
  156   2HB   GLU  23          3HB       GLU  23  -0.581  -1.968   7.608
  157   1HG   GLU  23          2HG       GLU  23   0.930  -3.483   6.261
  158   2HG   GLU  23          3HG       GLU  23   1.982  -2.097   5.959
  159    H    LEU  24           H        LEU  24  -1.244   1.026   4.956
  160    HA   LEU  24           HA       LEU  24  -3.651   1.253   6.693
  161   1HB   LEU  24          2HB       LEU  24  -1.989   3.389   5.319
  162   2HB   LEU  24          3HB       LEU  24  -3.259   3.658   6.511
  163    HG   LEU  24           HG       LEU  24  -0.555   2.373   6.977
  164   1HD1  LEU  24          1HD1      LEU  24  -1.782   4.959   8.007
  165   2HD1  LEU  24          2HD1      LEU  24  -0.160   4.335   8.389
  166   3HD1  LEU  24          3HD1      LEU  24  -0.551   4.822   6.732
  167   1HD2  LEU  24          1HD2      LEU  24  -2.835   2.834   8.953
  168   2HD2  LEU  24          2HD2      LEU  24  -2.175   1.259   8.454
  169   3HD2  LEU  24          3HD2      LEU  24  -1.176   2.368   9.394
  170    H    CYS  25           H        CYS  25  -3.287   0.541   3.462
  171    HA   CYS  25           HA       CYS  25  -4.671   2.556   2.200
  172   1HB   CYS  25          2HB       CYS  25  -4.611   1.306   0.277
  173   2HB   CYS  25          3HB       CYS  25  -3.215   0.802   1.235
  174    H    SER  26           H        SER  26  -6.307   0.182   4.061
  175    HA   SER  26           HA       SER  26  -8.906   0.601   2.795
  176   1HB   SER  26          2HB       SER  26  -8.266  -1.462   3.954
  177   2HB   SER  26          3HB       SER  26  -8.189  -0.583   5.499
  178    HG   SER  26           HG       SER  26 -10.208  -1.657   5.171
  179    H    TYR  27           H        TYR  27  -7.093   2.321   5.309
  180    HA   TYR  27           HA       TYR  27  -9.373   3.666   6.499
  181   1HB   TYR  27          2HB       TYR  27  -7.714   3.661   8.004
  182   2HB   TYR  27          3HB       TYR  27  -6.442   3.635   6.819
  183    HD1  TYR  27           1HD      TYR  27  -8.930   6.012   8.359
  184    HD2  TYR  27           2HD      TYR  27  -5.083   5.477   6.489
  185    HE1  TYR  27           1HE      TYR  27  -8.395   8.413   8.763
  186    HE2  TYR  27           2HE      TYR  27  -4.578   7.904   6.814
  187    HH   TYR  27           HH       TYR  27  -6.877  10.103   8.478
  188    H    TYR  28           H        TYR  28  -7.323   4.428   3.723
  189    HA   TYR  28           HA       TYR  28  -9.085   6.773   3.129
  190   1HB   TYR  28          2HB       TYR  28  -7.088   7.704   1.887
  191   2HB   TYR  28          3HB       TYR  28  -7.007   7.669   3.645
  192    HD1  TYR  28           1HD      TYR  28  -5.060   6.860   4.662
  193    HD2  TYR  28           2HD      TYR  28  -6.021   5.575   0.682
  194    HE1  TYR  28           1HE      TYR  28  -3.054   5.409   4.670
  195    HE2  TYR  28           2HE      TYR  28  -4.002   4.151   0.669
  196    HH   TYR  28           HH       TYR  28  -2.160   3.381   1.859
  197    H    GLN  29           H        GLN  29  -9.080   3.769   2.306
  198    HA   GLN  29           HA       GLN  29  -9.653   2.493   0.534
  199   1HB   GLN  29          2HB       GLN  29 -11.397   4.886  -0.142
  200   2HB   GLN  29          3HB       GLN  29 -11.675   3.200  -0.558
  201   1HG   GLN  29          2HG       GLN  29 -13.116   3.502   1.215
  202   2HG   GLN  29          3HG       GLN  29 -11.727   2.715   1.971
  203   1HE2  GLN  29          2HE2      GLN  29 -11.316   3.635   3.971
  204   2HE2  GLN  29          1HE2      GLN  29 -11.480   5.356   4.326
  205    H    SER  30           H        SER  30  -7.215   3.402  -0.231
  206    HA   SER  30           HA       SER  30  -7.512   3.882  -3.188
  207   1HB   SER  30          2HB       SER  30  -5.500   5.279  -1.401
  208   2HB   SER  30          3HB       SER  30  -5.632   5.428  -3.161
  209    HG   SER  30           HG       SER  30  -7.639   6.173  -1.271
  210    H    CYS  31           H        CYS  31  -6.935   1.390  -1.683
  211    HA   CYS  31           HA       CYS  31  -4.271   0.511  -1.836
  212   1HB   CYS  31          2HB       CYS  31  -6.783  -1.093  -2.424
  213   2HB   CYS  31          3HB       CYS  31  -5.216  -1.691  -1.869
  214    H    CYS  32           H        CYS  32  -3.307  -1.124  -3.300
  215    HA   CYS  32           HA       CYS  32  -3.265  -0.534  -6.085
  216   1HB   CYS  32          2HB       CYS  32  -2.502  -3.147  -6.046
  217   2HB   CYS  32          3HB       CYS  32  -1.438  -1.802  -5.680
  218    H    THR  33           H        THR  33  -4.088  -1.673  -7.885
  219    HA   THR  33           HA       THR  33  -6.867  -2.100  -7.854
  220    HB   THR  33           HB       THR  33  -6.437  -3.019 -10.213
  221    HG1  THR  33           1HG      THR  33  -4.348  -2.746 -10.965
  222   1HG2  THR  33          1HG2      THR  33  -5.794  -0.828 -11.097
  223   2HG2  THR  33          2HG2      THR  33  -6.939  -0.634  -9.760
  224   3HG2  THR  33          3HG2      THR  33  -5.210  -0.316  -9.497
  225    H    ASP  34           H        ASP  34  -4.464  -4.441  -7.069
  226    HA   ASP  34           HA       ASP  34  -6.569  -6.564  -6.980
  227   1HB   ASP  34          2HB       ASP  34  -3.677  -6.821  -7.890
  228   2HB   ASP  34          3HB       ASP  34  -4.728  -8.197  -7.531
  229    H    TYR  35           H        TYR  35  -5.308  -4.636  -4.858
  230    HA   TYR  35           HA       TYR  35  -3.585  -5.705  -3.125
  231   1HB   TYR  35          2HB       TYR  35  -4.681  -3.562  -2.820
  232   2HB   TYR  35          3HB       TYR  35  -6.174  -4.367  -2.337
  233    HD1  TYR  35           1HD      TYR  35  -2.890  -3.150  -1.206
  234    HD2  TYR  35           2HD      TYR  35  -6.281  -5.617  -0.147
  235    HE1  TYR  35           1HE      TYR  35  -2.203  -3.079   1.159
  236    HE2  TYR  35           2HE      TYR  35  -5.583  -5.520   2.238
  237    HH   TYR  35           HH       TYR  35  -2.760  -3.595   3.303
  238    H    THR  36           H        THR  36  -7.019  -6.773  -2.914
  239    HA   THR  36           HA       THR  36  -6.538  -8.548  -0.709
  240    HB   THR  36           HB       THR  36  -8.825  -9.448  -1.387
  241    HG1  THR  36           1HG      THR  36  -9.930  -8.198  -2.900
  242   1HG2  THR  36          1HG2      THR  36  -9.972  -7.427  -0.597
  243   2HG2  THR  36          2HG2      THR  36  -8.455  -7.635   0.298
  244   3HG2  THR  36          3HG2      THR  36  -8.554  -6.428  -0.996
  245    H    ALA  37           H        ALA  37  -5.650  -9.016  -3.914
  246    HA   ALA  37           HA       ALA  37  -5.373 -11.972  -3.479
  247   1HB   ALA  37          1HB       ALA  37  -6.930 -11.412  -5.304
  248   2HB   ALA  37          2HB       ALA  37  -5.668 -10.436  -6.091
  249   3HB   ALA  37          3HB       ALA  37  -5.461 -12.192  -5.922
  250    H    GLU  38           H        GLU  38  -3.722  -9.010  -4.548
  251    HA   GLU  38           HA       GLU  38  -1.158 -10.517  -4.871
  252   1HB   GLU  38          2HB       GLU  38  -2.265  -8.037  -6.227
  253   2HB   GLU  38          3HB       GLU  38  -0.604  -8.588  -6.433
  254   1HG   GLU  38          2HG       GLU  38  -3.092 -10.179  -7.178
  255   2HG   GLU  38          3HG       GLU  38  -2.063  -9.284  -8.290
  256    H    CYS  39           H        CYS  39  -2.491  -7.930  -2.908
  257    HA   CYS  39           HA       CYS  39   0.303  -7.174  -2.164
  258   1HB   CYS  39          2HB       CYS  39  -1.946  -5.298  -1.740
  259   2HB   CYS  39          3HB       CYS  39  -0.268  -4.946  -1.869
  260    H    LYS  40           H        LYS  40  -2.616  -8.478  -0.966
  261    HA   LYS  40           HA       LYS  40  -2.958  -7.627   1.528
  262   1HB   LYS  40          2HB       LYS  40  -3.752  -9.901   2.161
  263   2HB   LYS  40          3HB       LYS  40  -4.480  -9.127   0.759
  264   1HG   LYS  40          2HG       LYS  40  -3.267 -10.549  -0.781
  265   2HG   LYS  40          3HG       LYS  40  -2.328 -11.279   0.543
  266   1HD   LYS  40          2HD       LYS  40  -4.329 -12.262   1.512
  267   2HD   LYS  40          3HD       LYS  40  -5.362 -11.398   0.366
  268   1HE   LYS  40          2HE       LYS  40  -4.168 -12.620  -1.512
  269   2HE   LYS  40          3HE       LYS  40  -3.332 -13.580  -0.285
  270   1HZ   LYS  40          1HZ       LYS  40  -6.280 -13.454  -0.666
  271   2HZ   LYS  40          2HZ       LYS  40  -5.327 -14.715  -1.082
  272   3HZ   LYS  40          3HZ       LYS  40  -5.532 -14.337   0.491
  273    HA   PRO  41           HA       PRO  41   1.022  -8.524   3.489
  274   1HB   PRO  41          2HB       PRO  41   0.746  -6.879   5.662
  275   2HB   PRO  41          3HB       PRO  41   1.060  -6.285   4.005
  276   1HG   PRO  41          2HG       PRO  41  -1.569  -6.374   5.489
  277   2HG   PRO  41          3HG       PRO  41  -0.905  -5.080   4.433
  278   1HD   PRO  41          2HD       PRO  41  -2.734  -6.974   3.586
  279   2HD   PRO  41          3HD       PRO  41  -1.606  -6.109   2.518
  280    H    GLN  42           H        GLN  42   1.589  -9.030   5.953
  281    HA   GLN  42           HA       GLN  42   0.231 -11.476   6.640
  282   1HB   GLN  42          2HB       GLN  42   2.689 -11.035   6.753
  283   2HB   GLN  42          3HB       GLN  42   2.410 -10.001   8.167
  284   1HG   GLN  42          2HG       GLN  42   1.478 -11.975   9.383
  285   2HG   GLN  42          3HG       GLN  42   1.676 -12.962   7.932
  286   1HE2  GLN  42          1HE2      GLN  42   3.503 -14.269   8.062
  287   2HE2  GLN  42          2HE2      GLN  42   4.978 -13.802   8.910
  288    H    VAL  43           H        VAL  43  -1.888 -10.306   6.864
  289    HA   VAL  43           HA       VAL  43  -2.519  -8.826   9.263
  290    HB   VAL  43           HB       VAL  43  -4.866  -9.004   8.477
  291   1HG1  VAL  43          1HG1      VAL  43  -4.589  -7.637   6.503
  292   2HG1  VAL  43          2HG1      VAL  43  -3.357  -7.209   7.701
  293   3HG1  VAL  43          3HG1      VAL  43  -2.921  -8.196   6.288
  294   1HG2  VAL  43          1HG2      VAL  43  -4.762 -11.252   7.362
  295   2HG2  VAL  43          2HG2      VAL  43  -5.404  -9.981   6.313
  296   3HG2  VAL  43          3HG2      VAL  43  -3.741 -10.550   6.090
  297    H    THR  44           H        THR  44  -1.286 -11.082  10.155
  298    HA   THR  44           HA       THR  44  -3.158 -13.073  11.226
  299    HB   THR  44           HB       THR  44  -1.170 -13.873  12.460
  300    HG1  THR  44           1HG      THR  44   0.798 -12.843  12.106
  301   1HG2  THR  44          1HG2      THR  44  -0.559 -13.312   9.528
  302   2HG2  THR  44          2HG2      THR  44   0.207 -14.542  10.558
  303   3HG2  THR  44          3HG2      THR  44  -1.515 -14.668  10.160
  304    H    ARG  45           H        ARG  45  -2.479 -13.406  13.810
  305    HA   ARG  45           HA       ARG  45  -4.111 -11.792  15.364
  306   1HB   ARG  45          2HB       ARG  45  -3.162 -14.033  15.915
  307   2HB   ARG  45          3HB       ARG  45  -1.598 -13.282  16.243
  308   1HG   ARG  45          2HG       ARG  45  -2.633 -11.965  18.096
  309   2HG   ARG  45          3HG       ARG  45  -4.194 -12.746  17.769
  310   1HD   ARG  45          2HD       ARG  45  -1.614 -14.166  18.566
  311   2HD   ARG  45          3HD       ARG  45  -2.917 -13.728  19.683
  312    HE   ARG  45           HE       ARG  45  -4.183 -15.228  17.717
  313   1HH1  ARG  45          1HH2      ARG  45  -1.605 -15.897  19.996
  314   2HH1  ARG  45          2HH2      ARG  45  -1.967 -17.601  20.042
  315   1HH2  ARG  45          1HH1      ARG  45  -4.581 -17.411  17.816
  316   2HH2  ARG  45          2HH1      ARG  45  -3.613 -18.427  18.844
  317    H    GLY  46           H        GLY  46  -0.761 -11.062  14.537
  318   1HA   GLY  46          2HA       GLY  46   0.317  -9.012  14.632
  319   2HA   GLY  46          3HA       GLY  46  -1.069  -8.312  15.469
  320    H    ASP  47           H        ASP  47   0.163 -11.148  16.998
  321    HA   ASP  47           HA       ASP  47   1.212  -9.638  19.259
  322   1HB   ASP  47          2HB       ASP  47  -0.215 -11.744  19.370
  323   2HB   ASP  47          3HB       ASP  47   1.183 -12.647  18.787
  324    H    VAL  48           H        VAL  48   2.574 -10.104  16.489
  325    HA   VAL  48           HA       VAL  48   5.385 -10.063  17.392
  326    HB   VAL  48           HB       VAL  48   6.094 -11.593  15.571
  327   1HG1  VAL  48          1HG1      VAL  48   5.883 -12.418  17.897
  328   2HG1  VAL  48          2HG1      VAL  48   4.236 -12.982  17.534
  329   3HG1  VAL  48          3HG1      VAL  48   5.625 -13.683  16.683
  330   1HG2  VAL  48          1HG2      VAL  48   4.091 -11.499  14.106
  331   2HG2  VAL  48          2HG2      VAL  48   4.532 -13.157  14.529
  332   3HG2  VAL  48          3HG2      VAL  48   3.156 -12.381  15.334
  333    H    PHE  49           H        PHE  49   6.832  -9.295  15.629
  334    HA   PHE  49           HA       PHE  49   5.426  -7.485  13.689
  335   1HB   PHE  49          2HB       PHE  49   6.137  -6.347  15.768
  336   2HB   PHE  49          3HB       PHE  49   7.803  -6.857  15.471
  337    HD1  PHE  49           1HD      PHE  49   4.970  -4.957  13.866
  338    HD2  PHE  49           2HD      PHE  49   9.242  -5.398  14.279
  339    HE1  PHE  49           1HE      PHE  49   5.315  -2.906  12.506
  340    HE2  PHE  49           2HE      PHE  49   9.581  -3.343  12.925
  341    HZ   PHE  49           HZ       PHE  49   7.621  -2.096  12.035
  342    H    THR  50           H        THR  50   8.091  -9.732  14.117
  343    HA   THR  50           HA       THR  50   9.563  -8.982  11.722
  344    HB   THR  50           HB       THR  50  10.525 -11.333  12.031
  345    HG1  THR  50           1HG      THR  50  10.118 -12.269  14.042
  346   1HG2  THR  50          1HG2      THR  50  11.873 -10.678  13.978
  347   2HG2  THR  50          2HG2      THR  50  11.640  -9.300  12.892
  348   3HG2  THR  50          3HG2      THR  50  10.698  -9.409  14.395
  349    H    MET  51           H        MET  51   9.648 -10.078   9.760
  350    HA   MET  51           HA       MET  51   7.549 -11.998   8.974
  351   1HB   MET  51          2HB       MET  51   6.489  -9.780   8.713
  352   2HB   MET  51          3HB       MET  51   7.833  -9.244   7.695
  353   1HG   MET  51          2HG       MET  51   7.257 -10.932   6.005
  354   2HG   MET  51          3HG       MET  51   6.012 -11.600   7.072
  355   1HE   MET  51          1HE       MET  51   6.846  -7.752   6.149
  356   2HE   MET  51          2HE       MET  51   7.072  -8.713   4.668
  357   3HE   MET  51          3HE       MET  51   5.721  -7.567   4.788
  Start of MODEL   10
    1   1H    ASP   1          1H        ASP   1  -1.146   0.836 -16.135
    2   2H    ASP   1          2H        ASP   1  -1.181   2.426 -16.522
    3   3H    ASP   1          3H        ASP   1  -0.642   1.955 -15.051
    4    HA   ASP   1           HA       ASP   1  -2.830   2.891 -14.865
    5   1HB   ASP   1          2HB       ASP   1  -3.551   2.330 -17.163
    6   2HB   ASP   1          3HB       ASP   1  -3.704   0.629 -16.704
    7    H    GLN   2           H        GLN   2  -3.181  -0.692 -15.159
    8    HA   GLN   2           HA       GLN   2  -3.671  -0.990 -12.317
    9   1HB   GLN   2          2HB       GLN   2  -3.786  -3.340 -12.767
   10   2HB   GLN   2          3HB       GLN   2  -4.663  -2.471 -14.022
   11   1HG   GLN   2          2HG       GLN   2  -2.711  -2.757 -15.560
   12   2HG   GLN   2          3HG       GLN   2  -1.859  -3.665 -14.309
   13   1HE2  GLN   2          2HE2      GLN   2  -2.897  -4.469 -17.087
   14   2HE2  GLN   2          1HE2      GLN   2  -3.846  -5.915 -16.737
   15    H    GLU   3           H        GLU   3  -2.392  -2.543 -10.956
   16    HA   GLU   3           HA       GLU   3   0.528  -2.566 -11.454
   17   1HB   GLU   3          2HB       GLU   3   0.122  -0.462 -10.274
   18   2HB   GLU   3          3HB       GLU   3  -0.836  -1.298  -9.047
   19   1HG   GLU   3          2HG       GLU   3   1.284  -0.675  -8.142
   20   2HG   GLU   3          3HG       GLU   3   1.177  -2.416  -8.187
   21    H    SER   4           H        SER   4   1.703  -3.978 -10.139
   22    HA   SER   4           HA       SER   4   0.203  -6.136  -8.690
   23   1HB   SER   4          2HB       SER   4   2.593  -6.431 -10.562
   24   2HB   SER   4          3HB       SER   4   1.931  -7.722  -9.536
   25    HG   SER   4           HG       SER   4   1.135  -7.761 -11.723
   26    H    CYS   5           H        CYS   5   1.395  -7.132  -6.957
   27    HA   CYS   5           HA       CYS   5   2.830  -5.021  -5.516
   28   1HB   CYS   5          2HB       CYS   5   0.900  -6.489  -4.746
   29   2HB   CYS   5          3HB       CYS   5   2.102  -7.759  -4.473
   30    H    LYS   6           H        LYS   6   4.046  -7.531  -7.385
   31    HA   LYS   6           HA       LYS   6   5.958  -8.697  -5.595
   32   1HB   LYS   6          2HB       LYS   6   5.584  -8.782  -8.595
   33   2HB   LYS   6          3HB       LYS   6   6.908  -9.648  -7.774
   34   1HG   LYS   6          2HG       LYS   6   5.380 -10.857  -6.358
   35   2HG   LYS   6          3HG       LYS   6   3.977  -9.954  -6.949
   36   1HD   LYS   6          2HD       LYS   6   5.717 -11.700  -8.709
   37   2HD   LYS   6          3HD       LYS   6   4.314 -12.300  -7.834
   38   1HE   LYS   6          2HE       LYS   6   4.191 -10.006  -9.851
   39   2HE   LYS   6          3HE       LYS   6   3.924 -11.699 -10.271
   40   1HZ   LYS   6          1HZ       LYS   6   1.814 -10.654  -9.854
   41   2HZ   LYS   6          2HZ       LYS   6   2.067 -11.725  -8.656
   42   3HZ   LYS   6          3HZ       LYS   6   2.228 -10.137  -8.365
   43    H    GLY   7           H        GLY   7   7.061  -7.261  -4.591
   44   1HA   GLY   7          2HA       GLY   7   9.387  -6.338  -4.490
   45   2HA   GLY   7          3HA       GLY   7   9.041  -5.491  -6.006
   46    H    ARG   8           H        ARG   8   6.266  -5.359  -4.042
   47    HA   ARG   8           HA       ARG   8   6.969  -2.620  -2.994
   48   1HB   ARG   8          2HB       ARG   8   4.478  -3.488  -4.523
   49   2HB   ARG   8          3HB       ARG   8   4.738  -1.916  -3.778
   50   1HG   ARG   8          2HG       ARG   8   6.859  -1.731  -5.257
   51   2HG   ARG   8          3HG       ARG   8   6.200  -3.120  -6.139
   52   1HD   ARG   8          2HD       ARG   8   5.512  -1.169  -7.295
   53   2HD   ARG   8          3HD       ARG   8   4.064  -1.793  -6.475
   54    HE   ARG   8           HE       ARG   8   5.245   0.048  -4.692
   55   1HH1  ARG   8          1HH1      ARG   8   3.918   0.367  -7.964
   56   2HH1  ARG   8          2HH1      ARG   8   3.540   2.049  -7.691
   57   1HH2  ARG   8          1HH2      ARG   8   4.459   2.019  -4.365
   58   2HH2  ARG   8          2HH2      ARG   8   3.855   2.980  -5.704
   59    H    CYS   9           H        CYS   9   4.940  -5.477  -2.342
   60    HA   CYS   9           HA       CYS   9   3.168  -4.459  -0.595
   61   1HB   CYS   9          2HB       CYS   9   4.551  -7.037   0.137
   62   2HB   CYS   9          3HB       CYS   9   2.857  -6.584   0.321
   63    H    THR  10           H        THR  10   3.062  -3.399   1.216
   64    HA   THR  10           HA       THR  10   3.486  -2.381   3.144
   65    HB   THR  10           HB       THR  10   5.557  -4.398   4.005
   66    HG1  THR  10           1HG      THR  10   3.890  -5.757   4.591
   67   1HG2  THR  10          1HG2      THR  10   3.217  -3.055   5.451
   68   2HG2  THR  10          2HG2      THR  10   4.414  -4.146   6.181
   69   3HG2  THR  10          3HG2      THR  10   4.913  -2.558   5.598
   70    H    GLU  11           H        GLU  11   5.072  -1.681   0.758
   71    HA   GLU  11           HA       GLU  11   7.660  -0.764   1.447
   72   1HB   GLU  11          2HB       GLU  11   7.368   0.853  -0.398
   73   2HB   GLU  11          3HB       GLU  11   6.974  -0.800  -0.833
   74   1HG   GLU  11          2HG       GLU  11   4.510  -0.226  -0.588
   75   2HG   GLU  11          3HG       GLU  11   4.986   1.422  -0.162
   76    H    GLY  12           H        GLY  12   4.648   0.512   2.567
   77   1HA   GLY  12          2HA       GLY  12   4.648   1.965   4.507
   78   2HA   GLY  12          3HA       GLY  12   6.022   2.859   3.845
   79    H    PHE  13           H        PHE  13   3.533   3.951   4.758
   80    HA   PHE  13           HA       PHE  13   1.771   4.517   2.530
   81   1HB   PHE  13          2HB       PHE  13   0.903   4.367   4.764
   82   2HB   PHE  13          3HB       PHE  13   1.993   5.637   5.341
   83    HD1  PHE  13           1HD      PHE  13  -0.808   4.985   2.895
   84    HD2  PHE  13           2HD      PHE  13   1.199   7.892   5.389
   85    HE1  PHE  13           1HE      PHE  13  -2.708   6.553   2.624
   86    HE2  PHE  13           2HE      PHE  13  -0.709   9.434   5.123
   87    HZ   PHE  13           HZ       PHE  13  -2.673   8.755   3.786
   88    H    ASN  14           H        ASN  14   1.455   6.189   1.385
   89    HA   ASN  14           HA       ASN  14   2.453   8.850   1.825
   90   1HB   ASN  14          2HB       ASN  14   4.422   7.972   0.622
   91   2HB   ASN  14          3HB       ASN  14   3.385   7.303  -0.644
   92   1HD2  ASN  14          2HD2      ASN  14   5.388   8.888  -1.489
   93   2HD2  ASN  14          1HD2      ASN  14   4.735  10.449  -1.988
   94    H    VAL  15           H        VAL  15   0.577   9.950   1.454
   95    HA   VAL  15           HA       VAL  15  -1.640   8.488   0.342
   96    HB   VAL  15           HB       VAL  15  -1.590  10.054   2.316
   97   1HG1  VAL  15          1HG1      VAL  15  -0.598  12.002   1.332
   98   2HG1  VAL  15          2HG1      VAL  15  -2.046  12.239   0.307
   99   3HG1  VAL  15          3HG1      VAL  15  -2.166  12.324   2.085
  100   1HG2  VAL  15          1HG2      VAL  15  -3.599   8.967   1.487
  101   2HG2  VAL  15          2HG2      VAL  15  -3.928  10.581   2.132
  102   3HG2  VAL  15          3HG2      VAL  15  -3.893  10.330   0.374
  103    H    ASP  16           H        ASP  16   0.677  10.386  -1.240
  104    HA   ASP  16           HA       ASP  16  -1.064  11.392  -3.372
  105   1HB   ASP  16          2HB       ASP  16   0.920  12.606  -2.490
  106   2HB   ASP  16          3HB       ASP  16   1.957  11.320  -3.128
  107    H    LYS  17           H        LYS  17   1.052   8.543  -2.969
  108    HA   LYS  17           HA       LYS  17   1.292   8.052  -5.823
  109   1HB   LYS  17          2HB       LYS  17   2.513   6.049  -5.254
  110   2HB   LYS  17          3HB       LYS  17   3.063   7.418  -4.277
  111   1HG   LYS  17          2HG       LYS  17   1.632   6.571  -2.402
  112   2HG   LYS  17          3HG       LYS  17   1.263   5.129  -3.363
  113   1HD   LYS  17          2HD       LYS  17   3.668   4.517  -3.367
  114   2HD   LYS  17          3HD       LYS  17   4.063   6.042  -2.551
  115   1HE   LYS  17          2HE       LYS  17   4.043   4.552  -0.755
  116   2HE   LYS  17          3HE       LYS  17   2.421   5.270  -0.689
  117   1HZ   LYS  17          1HZ       LYS  17   2.151   2.944  -0.478
  118   2HZ   LYS  17          2HZ       LYS  17   1.746   3.249  -2.063
  119   3HZ   LYS  17          3HZ       LYS  17   3.206   2.622  -1.727
  120    H    LYS  18           H        LYS  18   0.491   6.451  -7.092
  121    HA   LYS  18           HA       LYS  18  -2.317   6.111  -6.858
  122   1HB   LYS  18          2HB       LYS  18  -1.102   6.494  -8.959
  123   2HB   LYS  18          3HB       LYS  18  -0.345   4.904  -8.832
  124   1HG   LYS  18          2HG       LYS  18  -2.121   4.851 -10.466
  125   2HG   LYS  18          3HG       LYS  18  -2.590   3.842  -9.091
  126   1HD   LYS  18          2HD       LYS  18  -3.981   5.761  -8.228
  127   2HD   LYS  18          3HD       LYS  18  -3.531   6.695  -9.668
  128   1HE   LYS  18          2HE       LYS  18  -4.532   4.930 -11.113
  129   2HE   LYS  18          3HE       LYS  18  -4.983   4.007  -9.672
  130   1HZ   LYS  18          1HZ       LYS  18  -5.992   6.726 -10.333
  131   2HZ   LYS  18          2HZ       LYS  18  -6.841   5.344 -10.493
  132   3HZ   LYS  18          3HZ       LYS  18  -6.414   5.865  -9.008
  133    H    CYS  19           H        CYS  19   0.241   3.778  -6.189
  134    HA   CYS  19           HA       CYS  19  -1.851   1.791  -5.343
  135   1HB   CYS  19          2HB       CYS  19  -0.328   0.797  -6.922
  136   2HB   CYS  19          3HB       CYS  19   1.065   1.391  -6.007
  137    H    GLN  20           H        GLN  20  -2.373   2.290  -3.299
  138    HA   GLN  20           HA       GLN  20  -0.210   2.777  -1.325
  139   1HB   GLN  20          2HB       GLN  20  -3.207   2.796  -1.087
  140   2HB   GLN  20          3HB       GLN  20  -2.078   2.980   0.291
  141   1HG   GLN  20          2HG       GLN  20  -0.945   4.823  -0.830
  142   2HG   GLN  20          3HG       GLN  20  -1.989   4.673  -2.245
  143   1HE2  GLN  20          2HE2      GLN  20  -2.324   6.836  -2.006
  144   2HE2  GLN  20          1HE2      GLN  20  -3.573   7.455  -0.906
  145    H    CYS  21           H        CYS  21   0.763   0.942  -2.103
  146    HA   CYS  21           HA       CYS  21  -0.177  -1.744  -1.536
  147   1HB   CYS  21          2HB       CYS  21   2.738  -1.164  -1.854
  148   2HB   CYS  21          3HB       CYS  21   1.766  -2.416  -2.598
  149    H    ASP  22           H        ASP  22  -0.471  -0.209   0.784
  150    HA   ASP  22           HA       ASP  22   1.452  -1.295   2.754
  151   1HB   ASP  22          2HB       ASP  22   1.885   1.026   3.592
  152   2HB   ASP  22          3HB       ASP  22   2.501   0.729   1.966
  153    H    GLU  23           H        GLU  23   0.908  -0.257   4.964
  154    HA   GLU  23           HA       GLU  23  -1.367  -1.623   5.830
  155   1HB   GLU  23          2HB       GLU  23   0.226   0.476   7.347
  156   2HB   GLU  23          3HB       GLU  23  -0.750  -0.823   8.039
  157   1HG   GLU  23          2HG       GLU  23   0.786  -2.493   6.931
  158   2HG   GLU  23          3HG       GLU  23   1.819  -1.150   6.419
  159    H    LEU  24           H        LEU  24  -1.354   1.748   4.855
  160    HA   LEU  24           HA       LEU  24  -3.815   2.305   6.487
  161   1HB   LEU  24          2HB       LEU  24  -1.792   4.176   5.221
  162   2HB   LEU  24          3HB       LEU  24  -3.227   4.687   6.103
  163    HG   LEU  24           HG       LEU  24  -0.855   3.177   7.264
  164   1HD1  LEU  24          1HD1      LEU  24  -0.497   5.254   8.533
  165   2HD1  LEU  24          2HD1      LEU  24  -0.446   5.563   6.793
  166   3HD1  LEU  24          3HD1      LEU  24  -1.890   6.007   7.722
  167   1HD2  LEU  24          1HD2      LEU  24  -3.407   4.160   8.621
  168   2HD2  LEU  24          2HD2      LEU  24  -2.864   2.470   8.475
  169   3HD2  LEU  24          3HD2      LEU  24  -1.949   3.600   9.474
  170    H    CYS  25           H        CYS  25  -3.221   1.280   3.414
  171    HA   CYS  25           HA       CYS  25  -4.475   3.176   1.794
  172   1HB   CYS  25          2HB       CYS  25  -4.396   1.560   0.132
  173   2HB   CYS  25          3HB       CYS  25  -3.065   1.165   1.234
  174    H    SER  26           H        SER  26  -6.111   0.632   3.671
  175    HA   SER  26           HA       SER  26  -8.602   0.649   2.305
  176   1HB   SER  26          2HB       SER  26  -7.818  -1.093   3.906
  177   2HB   SER  26          3HB       SER  26  -8.054   0.048   5.239
  178    HG   SER  26           HG       SER  26 -10.019  -1.081   3.505
  179    H    TYR  27           H        TYR  27  -7.424   2.693   4.928
  180    HA   TYR  27           HA       TYR  27  -9.822   4.143   5.529
  181   1HB   TYR  27          2HB       TYR  27  -8.093   4.028   7.110
  182   2HB   TYR  27          3HB       TYR  27  -6.864   4.467   5.952
  183    HD1  TYR  27           1HD      TYR  27  -5.770   6.348   6.541
  184    HD2  TYR  27           2HD      TYR  27 -10.035   6.173   7.162
  185    HE1  TYR  27           1HE      TYR  27  -5.734   8.692   7.350
  186    HE2  TYR  27           2HE      TYR  27 -10.002   8.517   8.004
  187    HH   TYR  27           HH       TYR  27  -8.727  10.367   8.447
  188    H    TYR  28           H        TYR  28  -7.747   4.326   2.747
  189    HA   TYR  28           HA       TYR  28  -9.109   6.847   1.852
  190   1HB   TYR  28          2HB       TYR  28  -6.385   5.704   1.148
  191   2HB   TYR  28          3HB       TYR  28  -7.129   7.085   0.338
  192    HD1  TYR  28           1HD      TYR  28  -5.276   5.997   3.288
  193    HD2  TYR  28           2HD      TYR  28  -7.660   9.182   1.605
  194    HE1  TYR  28           1HE      TYR  28  -4.390   7.574   4.992
  195    HE2  TYR  28           2HE      TYR  28  -6.762  10.758   3.308
  196    HH   TYR  28           HH       TYR  28  -5.345  11.033   5.085
  197    H    GLN  29           H        GLN  29  -8.988   3.505   1.271
  198    HA   GLN  29           HA       GLN  29  -9.576   2.104  -0.357
  199   1HB   GLN  29          2HB       GLN  29 -11.392   4.278  -1.453
  200   2HB   GLN  29          3HB       GLN  29 -11.493   2.542  -1.713
  201   1HG   GLN  29          2HG       GLN  29 -13.132   2.859  -0.129
  202   2HG   GLN  29          3HG       GLN  29 -11.770   2.329   0.863
  203   1HE2  GLN  29          2HE2      GLN  29 -11.384   3.636   2.680
  204   2HE2  GLN  29          1HE2      GLN  29 -11.964   5.301   2.824
  205    H    SER  30           H        SER  30  -7.198   3.553  -0.765
  206    HA   SER  30           HA       SER  30  -6.974   3.809  -3.749
  207   1HB   SER  30          2HB       SER  30  -5.484   5.209  -1.513
  208   2HB   SER  30          3HB       SER  30  -5.061   5.342  -3.237
  209    HG   SER  30           HG       SER  30  -6.428   7.046  -2.585
  210    H    CYS  31           H        CYS  31  -6.583   1.369  -1.966
  211    HA   CYS  31           HA       CYS  31  -3.862   0.533  -1.942
  212   1HB   CYS  31          2HB       CYS  31  -6.303  -1.207  -2.381
  213   2HB   CYS  31          3HB       CYS  31  -4.791  -1.627  -1.573
  214    H    CYS  32           H        CYS  32  -2.735  -0.991  -3.386
  215    HA   CYS  32           HA       CYS  32  -2.714  -0.985  -6.049
  216   1HB   CYS  32          2HB       CYS  32  -2.760  -3.807  -5.347
  217   2HB   CYS  32          3HB       CYS  32  -1.415  -2.811  -5.857
  218    H    THR  33           H        THR  33  -3.699  -1.958  -7.886
  219    HA   THR  33           HA       THR  33  -6.520  -2.149  -7.858
  220    HB   THR  33           HB       THR  33  -6.164  -3.056 -10.247
  221    HG1  THR  33           1HG      THR  33  -4.038  -3.832  -9.933
  222   1HG2  THR  33          1HG2      THR  33  -6.554  -0.657  -9.656
  223   2HG2  THR  33          2HG2      THR  33  -4.796  -0.436  -9.505
  224   3HG2  THR  33          3HG2      THR  33  -5.520  -0.876 -11.070
  225    H    ASP  34           H        ASP  34  -4.371  -4.659  -6.993
  226    HA   ASP  34           HA       ASP  34  -6.719  -6.453  -6.750
  227   1HB   ASP  34          2HB       ASP  34  -5.303  -7.048  -8.783
  228   2HB   ASP  34          3HB       ASP  34  -3.996  -7.453  -7.661
  229    H    TYR  35           H        TYR  35  -5.319  -4.670  -4.874
  230    HA   TYR  35           HA       TYR  35  -3.465  -5.578  -3.155
  231   1HB   TYR  35          2HB       TYR  35  -4.448  -3.426  -2.875
  232   2HB   TYR  35          3HB       TYR  35  -6.042  -4.117  -2.567
  233    HD1  TYR  35           1HD      TYR  35  -6.635  -5.069  -0.381
  234    HD2  TYR  35           2HD      TYR  35  -2.783  -3.231  -1.064
  235    HE1  TYR  35           1HE      TYR  35  -6.286  -4.853   2.073
  236    HE2  TYR  35           2HE      TYR  35  -2.442  -3.037   1.378
  237    HH   TYR  35           HH       TYR  35  -3.381  -3.277   3.445
  238    H    THR  36           H        THR  36  -6.895  -6.596  -2.735
  239    HA   THR  36           HA       THR  36  -6.436  -8.022  -0.368
  240    HB   THR  36           HB       THR  36  -8.670  -8.919  -2.155
  241    HG1  THR  36           1HG      THR  36  -9.780  -7.012  -1.765
  242   1HG2  THR  36          1HG2      THR  36  -9.961  -8.561  -0.043
  243   2HG2  THR  36          2HG2      THR  36  -8.588  -9.644   0.215
  244   3HG2  THR  36          3HG2      THR  36  -8.483  -7.952   0.743
  245    H    ALA  37           H        ALA  37  -5.460  -9.031  -3.473
  246    HA   ALA  37           HA       ALA  37  -4.900 -11.766  -2.385
  247   1HB   ALA  37          1HB       ALA  37  -6.540 -11.885  -4.208
  248   2HB   ALA  37          2HB       ALA  37  -5.434 -10.988  -5.276
  249   3HB   ALA  37          3HB       ALA  37  -4.991 -12.606  -4.688
  250    H    GLU  38           H        GLU  38  -3.619  -9.007  -4.290
  251    HA   GLU  38           HA       GLU  38  -0.988 -10.287  -4.574
  252   1HB   GLU  38          2HB       GLU  38  -2.328  -7.773  -5.547
  253   2HB   GLU  38          3HB       GLU  38  -0.573  -7.791  -5.488
  254   1HG   GLU  38          2HG       GLU  38  -2.139  -9.961  -6.898
  255   2HG   GLU  38          3HG       GLU  38  -1.605  -8.472  -7.685
  256    H    CYS  39           H        CYS  39  -2.298  -7.688  -2.442
  257    HA   CYS  39           HA       CYS  39   0.486  -7.268  -1.426
  258   1HB   CYS  39          2HB       CYS  39  -1.587  -5.156  -1.206
  259   2HB   CYS  39          3HB       CYS  39   0.144  -4.993  -1.322
  260    H    LYS  40           H        LYS  40  -2.615  -8.227  -0.489
  261    HA   LYS  40           HA       LYS  40  -3.310  -7.273   1.867
  262   1HB   LYS  40          2HB       LYS  40  -4.448  -9.009   0.632
  263   2HB   LYS  40          3HB       LYS  40  -3.279 -10.215   1.185
  264   1HG   LYS  40          2HG       LYS  40  -4.033  -9.980   3.493
  265   2HG   LYS  40          3HG       LYS  40  -4.980  -8.533   3.083
  266   1HD   LYS  40          2HD       LYS  40  -6.479 -10.433   3.337
  267   2HD   LYS  40          3HD       LYS  40  -6.468  -9.870   1.665
  268   1HE   LYS  40          2HE       LYS  40  -4.659 -11.738   1.287
  269   2HE   LYS  40          3HE       LYS  40  -5.198 -12.373   2.845
  270   1HZ   LYS  40          1HZ       LYS  40  -7.471 -12.468   1.861
  271   2HZ   LYS  40          2HZ       LYS  40  -6.864 -11.935   0.425
  272   3HZ   LYS  40          3HZ       LYS  40  -6.417 -13.392   1.020
  273    HA   PRO  41           HA       PRO  41   0.333  -7.779   4.595
  274   1HB   PRO  41          2HB       PRO  41  -1.722  -6.514   6.416
  275   2HB   PRO  41          3HB       PRO  41   0.025  -6.144   6.263
  276   1HG   PRO  41          2HG       PRO  41  -1.827  -4.536   5.105
  277   2HG   PRO  41          3HG       PRO  41  -0.331  -4.973   4.212
  278   1HD   PRO  41          2HD       PRO  41  -3.102  -6.162   3.908
  279   2HD   PRO  41          3HD       PRO  41  -1.926  -5.710   2.657
  280    H    GLN  42           H        GLN  42   0.811  -9.191   6.332
  281    HA   GLN  42           HA       GLN  42  -1.003 -11.386   6.891
  282   1HB   GLN  42          2HB       GLN  42   1.587 -10.494   8.229
  283   2HB   GLN  42          3HB       GLN  42   0.692 -11.971   8.633
  284   1HG   GLN  42          2HG       GLN  42   0.967 -12.778   6.294
  285   2HG   GLN  42          3HG       GLN  42   1.977 -11.371   5.937
  286   1HE2  GLN  42          2HE2      GLN  42   2.370 -14.553   6.463
  287   2HE2  GLN  42          1HE2      GLN  42   3.828 -14.549   7.465
  288    H    VAL  43           H        VAL  43  -2.271 -11.777   8.634
  289    HA   VAL  43           HA       VAL  43  -2.400  -9.877  10.914
  290    HB   VAL  43           HB       VAL  43  -4.902  -9.881  10.786
  291   1HG1  VAL  43          1HG1      VAL  43  -5.127  -8.188   9.099
  292   2HG1  VAL  43          2HG1      VAL  43  -3.580  -7.975   9.933
  293   3HG1  VAL  43          3HG1      VAL  43  -3.624  -8.690   8.306
  294   1HG2  VAL  43          1HG2      VAL  43  -6.052 -10.472   8.726
  295   2HG2  VAL  43          2HG2      VAL  43  -4.537 -10.984   7.962
  296   3HG2  VAL  43          3HG2      VAL  43  -5.203 -11.901   9.333
  297    H    THR  44           H        THR  44  -1.245 -12.422  10.727
  298    HA   THR  44           HA       THR  44  -2.655 -13.863  12.878
  299    HB   THR  44           HB       THR  44  -3.670 -14.610  10.732
  300    HG1  THR  44           1HG      THR  44  -3.623 -16.768  11.261
  301   1HG2  THR  44          1HG2      THR  44  -1.639 -14.593   9.285
  302   2HG2  THR  44          2HG2      THR  44  -1.033 -16.019  10.157
  303   3HG2  THR  44          3HG2      THR  44  -2.541 -16.113   9.230
  304    H    ARG  45           H        ARG  45  -0.250 -12.462  12.880
  305    HA   ARG  45           HA       ARG  45   1.753 -14.610  13.519
  306   1HB   ARG  45          2HB       ARG  45   2.459 -11.852  12.448
  307   2HB   ARG  45          3HB       ARG  45   3.568 -13.155  12.830
  308   1HG   ARG  45          2HG       ARG  45   1.671 -12.941  10.491
  309   2HG   ARG  45          3HG       ARG  45   3.438 -13.029  10.494
  310   1HD   ARG  45          2HD       ARG  45   1.450 -15.264  10.961
  311   2HD   ARG  45          3HD       ARG  45   2.619 -15.100   9.674
  312    HE   ARG  45           HE       ARG  45   4.430 -15.412  11.363
  313   1HH1  ARG  45          1HH2      ARG  45   1.267 -16.651  12.363
  314   2HH1  ARG  45          2HH2      ARG  45   2.014 -17.981  13.208
  315   1HH2  ARG  45          1HH1      ARG  45   5.231 -17.014  12.440
  316   2HH2  ARG  45          2HH1      ARG  45   4.229 -18.160  13.319
  317    H    GLY  46           H        GLY  46   3.285 -14.125  15.130
  318   1HA   GLY  46          2HA       GLY  46   2.127 -12.665  17.414
  319   2HA   GLY  46          3HA       GLY  46   3.531 -13.731  17.417
  320    H    ASP  47           H        ASP  47   4.702 -12.100  15.063
  321    HA   ASP  47           HA       ASP  47   5.369  -9.507  16.287
  322   1HB   ASP  47          2HB       ASP  47   6.816 -11.302  17.392
  323   2HB   ASP  47          3HB       ASP  47   7.477 -11.653  15.793
  324    H    VAL  48           H        VAL  48   6.823  -8.243  14.891
  325    HA   VAL  48           HA       VAL  48   6.293  -8.563  12.022
  326    HB   VAL  48           HB       VAL  48   7.482  -6.392  11.790
  327   1HG1  VAL  48          1HG1      VAL  48   5.315  -6.380  13.923
  328   2HG1  VAL  48          2HG1      VAL  48   5.785  -5.035  12.864
  329   3HG1  VAL  48          3HG1      VAL  48   5.055  -6.489  12.168
  330   1HG2  VAL  48          1HG2      VAL  48   9.045  -6.589  13.747
  331   2HG2  VAL  48          2HG2      VAL  48   8.121  -5.081  13.732
  332   3HG2  VAL  48          3HG2      VAL  48   7.659  -6.384  14.840
  333    H    PHE  49           H        PHE  49   7.772 -10.646  13.056
  334    HA   PHE  49           HA       PHE  49  10.168 -10.657  11.340
  335   1HB   PHE  49          2HB       PHE  49  10.941  -9.703  13.526
  336   2HB   PHE  49          3HB       PHE  49  10.410 -11.185  14.329
  337    HD1  PHE  49           1HD      PHE  49  12.724  -9.858  11.690
  338    HD2  PHE  49           2HD      PHE  49  11.878 -13.080  14.432
  339    HE1  PHE  49           1HE      PHE  49  14.935 -10.873  11.183
  340    HE2  PHE  49           2HE      PHE  49  14.089 -14.090  13.923
  341    HZ   PHE  49           HZ       PHE  49  15.620 -12.991  12.298
  342    H    THR  50           H        THR  50   7.883 -12.436  13.427
  343    HA   THR  50           HA       THR  50   8.867 -15.070  12.659
  344    HB   THR  50           HB       THR  50   6.878 -15.865  13.946
  345    HG1  THR  50           1HG      THR  50   5.797 -14.283  15.171
  346   1HG2  THR  50          1HG2      THR  50   8.561 -13.798  15.422
  347   2HG2  THR  50          2HG2      THR  50   7.673 -15.162  16.134
  348   3HG2  THR  50          3HG2      THR  50   9.049 -15.468  15.064
  349    H    MET  51           H        MET  51   8.086 -13.346  10.476
  350    HA   MET  51           HA       MET  51   5.682 -13.510   9.214
  351   1HB   MET  51          2HB       MET  51   7.629 -12.252   8.445
  352   2HB   MET  51          3HB       MET  51   8.455 -13.751   8.002
  353   1HG   MET  51          2HG       MET  51   6.719 -14.204   6.293
  354   2HG   MET  51          3HG       MET  51   5.866 -12.732   6.779
  355   1HE   MET  51          1HE       MET  51   9.856 -12.917   4.429
  356   2HE   MET  51          2HE       MET  51   9.790 -13.423   6.128
  357   3HE   MET  51          3HE       MET  51   8.866 -14.316   4.897
  Start of MODEL   11
    1   1H    ASP   1          1H        ASP   1   2.459  -2.356 -21.047
    2   2H    ASP   1          2H        ASP   1   1.429  -1.081 -21.073
    3   3H    ASP   1          3H        ASP   1   2.966  -0.900 -21.611
    4    HA   ASP   1           HA       ASP   1   3.861  -1.217 -19.433
    5   1HB   ASP   1          2HB       ASP   1   3.102   0.804 -18.355
    6   2HB   ASP   1          3HB       ASP   1   3.211   1.080 -20.097
    7    H    GLN   2           H        GLN   2   3.349  -1.204 -17.044
    8    HA   GLN   2           HA       GLN   2   0.890  -2.689 -16.289
    9   1HB   GLN   2          2HB       GLN   2   3.738  -3.650 -15.760
   10   2HB   GLN   2          3HB       GLN   2   2.299  -4.282 -14.955
   11   1HG   GLN   2          2HG       GLN   2   1.368  -4.941 -17.192
   12   2HG   GLN   2          3HG       GLN   2   2.899  -4.466 -17.936
   13   1HE2  GLN   2          2HE2      GLN   2   1.239  -7.125 -16.674
   14   2HE2  GLN   2          1HE2      GLN   2   2.648  -8.140 -16.363
   15    H    GLU   3           H        GLU   3   0.504  -2.734 -14.013
   16    HA   GLU   3           HA       GLU   3   1.886  -0.781 -12.268
   17   1HB   GLU   3          2HB       GLU   3   0.273   0.490 -13.732
   18   2HB   GLU   3          3HB       GLU   3  -1.040  -0.492 -13.087
   19   1HG   GLU   3          2HG       GLU   3  -1.072   1.587 -11.928
   20   2HG   GLU   3          3HG       GLU   3  -0.477   0.395 -10.780
   21    H    SER   4           H        SER   4   2.375  -2.718 -11.064
   22    HA   SER   4           HA       SER   4   0.127  -3.762  -9.407
   23   1HB   SER   4          2HB       SER   4   0.681  -6.023  -9.789
   24   2HB   SER   4          3HB       SER   4   0.492  -5.266 -11.375
   25    HG   SER   4           HG       SER   4   2.720  -5.213 -11.604
   26    H    CYS   5           H        CYS   5   1.106  -5.360  -7.623
   27    HA   CYS   5           HA       CYS   5   2.537  -3.488  -5.991
   28   1HB   CYS   5          2HB       CYS   5   0.686  -5.086  -5.401
   29   2HB   CYS   5          3HB       CYS   5   1.884  -6.385  -5.383
   30    H    LYS   6           H        LYS   6   3.941  -5.757  -8.102
   31    HA   LYS   6           HA       LYS   6   5.885  -6.953  -6.371
   32   1HB   LYS   6          2HB       LYS   6   5.598  -6.751  -9.371
   33   2HB   LYS   6          3HB       LYS   6   6.951  -7.619  -8.607
   34   1HG   LYS   6          2HG       LYS   6   5.520  -9.116  -7.438
   35   2HG   LYS   6          3HG       LYS   6   4.062  -8.186  -7.808
   36   1HD   LYS   6          2HD       LYS   6   5.757  -9.578  -9.899
   37   2HD   LYS   6          3HD       LYS   6   4.371 -10.320  -9.102
   38   1HE   LYS   6          2HE       LYS   6   4.213  -7.711 -10.683
   39   2HE   LYS   6          3HE       LYS   6   3.909  -9.299 -11.387
   40   1HZ   LYS   6          1HZ       LYS   6   2.328  -8.156  -9.123
   41   2HZ   LYS   6          2HZ       LYS   6   1.870  -8.193 -10.678
   42   3HZ   LYS   6          3HZ       LYS   6   2.065  -9.590  -9.837
   43    H    GLY   7           H        GLY   7   7.009  -5.712  -5.219
   44   1HA   GLY   7          2HA       GLY   7   9.290  -4.718  -5.029
   45   2HA   GLY   7          3HA       GLY   7   8.854  -3.632  -6.358
   46    H    ARG   8           H        ARG   8   6.101  -3.872  -4.467
   47    HA   ARG   8           HA       ARG   8   6.772  -1.422  -2.844
   48   1HB   ARG   8          2HB       ARG   8   4.364  -1.926  -4.648
   49   2HB   ARG   8          3HB       ARG   8   4.586  -0.524  -3.598
   50   1HG   ARG   8          2HG       ARG   8   6.723   0.000  -4.803
   51   2HG   ARG   8          3HG       ARG   8   6.337  -1.279  -5.965
   52   1HD   ARG   8          2HD       ARG   8   4.521   1.095  -5.380
   53   2HD   ARG   8          3HD       ARG   8   5.763   1.039  -6.649
   54    HE   ARG   8           HE       ARG   8   4.045  -1.223  -6.942
   55   1HH1  ARG   8          1HH1      ARG   8   3.994   2.263  -7.628
   56   2HH1  ARG   8          2HH1      ARG   8   2.868   1.971  -8.964
   57   1HH2  ARG   8          1HH2      ARG   8   2.686  -1.331  -8.695
   58   2HH2  ARG   8          2HH2      ARG   8   2.172   0.188  -9.458
   59    H    CYS   9           H        CYS   9   4.767  -4.335  -2.884
   60    HA   CYS   9           HA       CYS   9   3.003  -3.896  -0.896
   61   1HB   CYS   9          2HB       CYS   9   4.628  -6.435  -0.827
   62   2HB   CYS   9          3HB       CYS   9   2.898  -6.190  -0.535
   63    H    THR  10           H        THR  10   2.884  -3.351   1.131
   64    HA   THR  10           HA       THR  10   3.298  -2.713   3.209
   65    HB   THR  10           HB       THR  10   5.540  -4.702   3.619
   66    HG1  THR  10           1HG      THR  10   4.043  -5.896   2.524
   67   1HG2  THR  10          1HG2      THR  10   4.844  -3.423   5.606
   68   2HG2  THR  10          2HG2      THR  10   3.145  -3.826   5.306
   69   3HG2  THR  10          3HG2      THR  10   4.305  -5.095   5.762
   70    H    GLU  11           H        GLU  11   4.990  -1.498   0.972
   71    HA   GLU  11           HA       GLU  11   7.527  -0.771   2.034
   72   1HB   GLU  11          2HB       GLU  11   7.534   1.010   0.415
   73   2HB   GLU  11          3HB       GLU  11   6.956  -0.478  -0.313
   74   1HG   GLU  11          2HG       GLU  11   4.563   0.419  -0.033
   75   2HG   GLU  11          3HG       GLU  11   5.290   1.923   0.563
   76    H    GLY  12           H        GLY  12   4.405   0.453   2.898
   77   1HA   GLY  12          2HA       GLY  12   4.227   1.782   5.013
   78   2HA   GLY  12          3HA       GLY  12   5.554   2.786   4.410
   79    H    PHE  13           H        PHE  13   3.096   3.904   5.134
   80    HA   PHE  13           HA       PHE  13   1.299   4.155   2.900
   81   1HB   PHE  13          2HB       PHE  13   0.368   4.394   5.007
   82   2HB   PHE  13          3HB       PHE  13   1.594   5.560   5.539
   83    HD1  PHE  13           1HD      PHE  13  -0.981   5.213   2.747
   84    HD2  PHE  13           2HD      PHE  13   0.904   7.756   5.705
   85    HE1  PHE  13           1HE      PHE  13  -2.547   7.043   2.200
   86    HE2  PHE  13           2HE      PHE  13  -0.615   9.613   5.071
   87    HZ   PHE  13           HZ       PHE  13  -2.334   9.258   3.320
   88    H    ASN  14           H        ASN  14   1.368   5.273   1.182
   89    HA   ASN  14           HA       ASN  14   2.617   7.945   0.986
   90   1HB   ASN  14          2HB       ASN  14   3.610   5.438  -0.399
   91   2HB   ASN  14          3HB       ASN  14   3.622   6.970  -1.283
   92   1HD2  ASN  14          2HD2      ASN  14   4.641   8.856  -0.243
   93   2HD2  ASN  14          1HD2      ASN  14   6.115   8.536   0.697
   94    H    VAL  15           H        VAL  15   0.326   8.497   0.937
   95    HA   VAL  15           HA       VAL  15  -1.418   7.627  -1.144
   96    HB   VAL  15           HB       VAL  15  -1.814   8.937   1.087
   97   1HG1  VAL  15          1HG1      VAL  15  -2.147  11.238  -0.821
   98   2HG1  VAL  15          2HG1      VAL  15  -2.550  11.166   0.909
   99   3HG1  VAL  15          3HG1      VAL  15  -0.855  11.083   0.400
  100   1HG2  VAL  15          1HG2      VAL  15  -3.497   7.762  -0.155
  101   2HG2  VAL  15          2HG2      VAL  15  -4.107   9.318   0.413
  102   3HG2  VAL  15          3HG2      VAL  15  -3.646   9.125  -1.298
  103    H    ASP  16           H        ASP  16   1.270   9.666  -1.357
  104    HA   ASP  16           HA       ASP  16   0.536  11.214  -3.696
  105   1HB   ASP  16          2HB       ASP  16   2.850  11.942  -3.592
  106   2HB   ASP  16          3HB       ASP  16   2.117  12.002  -1.987
  107    H    LYS  17           H        LYS  17   1.273   7.908  -3.408
  108    HA   LYS  17           HA       LYS  17   2.479   7.787  -6.157
  109   1HB   LYS  17          2HB       LYS  17   2.714   5.791  -3.871
  110   2HB   LYS  17          3HB       LYS  17   3.374   5.585  -5.505
  111   1HG   LYS  17          2HG       LYS  17   4.557   7.877  -5.098
  112   2HG   LYS  17          3HG       LYS  17   4.223   7.573  -3.386
  113   1HD   LYS  17          2HD       LYS  17   5.858   5.868  -5.309
  114   2HD   LYS  17          3HD       LYS  17   6.470   6.854  -3.969
  115   1HE   LYS  17          2HE       LYS  17   5.296   5.369  -2.348
  116   2HE   LYS  17          3HE       LYS  17   4.698   4.381  -3.695
  117   1HZ   LYS  17          1HZ       LYS  17   7.054   3.956  -4.285
  118   2HZ   LYS  17          2HZ       LYS  17   7.547   4.757  -2.946
  119   3HZ   LYS  17          3HZ       LYS  17   6.679   3.374  -2.812
  120    H    LYS  18           H        LYS  18   2.080   5.658  -7.269
  121    HA   LYS  18           HA       LYS  18  -0.725   5.772  -7.993
  122   1HB   LYS  18          2HB       LYS  18   1.755   4.517  -9.135
  123   2HB   LYS  18          3HB       LYS  18   0.177   3.958  -9.706
  124   1HG   LYS  18          2HG       LYS  18   0.989   5.682 -11.170
  125   2HG   LYS  18          3HG       LYS  18  -0.449   6.261 -10.311
  126   1HD   LYS  18          2HD       LYS  18   1.030   7.501  -8.723
  127   2HD   LYS  18          3HD       LYS  18   2.449   6.980  -9.643
  128   1HE   LYS  18          2HE       LYS  18   0.133   8.634 -10.758
  129   2HE   LYS  18          3HE       LYS  18   1.644   9.313 -10.149
  130   1HZ   LYS  18          1HZ       LYS  18   1.430   7.472 -12.472
  131   2HZ   LYS  18          2HZ       LYS  18   1.724   9.074 -12.548
  132   3HZ   LYS  18          3HZ       LYS  18   2.833   8.080 -11.885
  133    H    CYS  19           H        CYS  19   0.783   3.794  -5.756
  134    HA   CYS  19           HA       CYS  19  -1.765   2.363  -5.414
  135   1HB   CYS  19          2HB       CYS  19  -0.895   0.253  -5.034
  136   2HB   CYS  19          3HB       CYS  19  -0.162   0.729  -6.567
  137    H    GLN  20           H        GLN  20  -2.228   1.974  -3.311
  138    HA   GLN  20           HA       GLN  20  -0.331   2.963  -1.207
  139   1HB   GLN  20          2HB       GLN  20  -3.365   2.867  -1.290
  140   2HB   GLN  20          3HB       GLN  20  -2.439   3.016   0.208
  141   1HG   GLN  20          2HG       GLN  20  -3.123   5.218  -0.519
  142   2HG   GLN  20          3HG       GLN  20  -1.362   5.062  -0.520
  143   1HE2  GLN  20          2HE2      GLN  20  -0.365   5.988  -2.391
  144   2HE2  GLN  20          1HE2      GLN  20  -1.225   6.166  -3.898
  145    H    CYS  21           H        CYS  21   0.661   0.959  -2.005
  146    HA   CYS  21           HA       CYS  21  -0.408  -1.672  -1.450
  147   1HB   CYS  21          2HB       CYS  21   2.364  -0.504  -2.050
  148   2HB   CYS  21          3HB       CYS  21   2.046  -2.219  -1.906
  149    H    ASP  22           H        ASP  22  -0.827  -0.251   0.906
  150    HA   ASP  22           HA       ASP  22   1.115  -1.339   2.886
  151   1HB   ASP  22          2HB       ASP  22   1.449   0.867   3.836
  152   2HB   ASP  22          3HB       ASP  22   1.853   0.909   2.119
  153    H    GLU  23           H        GLU  23   0.483  -0.517   5.130
  154    HA   GLU  23           HA       GLU  23  -1.740  -1.971   5.994
  155   1HB   GLU  23          2HB       GLU  23  -0.241   0.214   7.487
  156   2HB   GLU  23          3HB       GLU  23  -1.129  -1.136   8.196
  157   1HG   GLU  23          2HG       GLU  23   0.511  -2.725   7.207
  158   2HG   GLU  23          3HG       GLU  23   1.412  -1.377   6.512
  159    H    LEU  24           H        LEU  24  -1.823   1.372   4.938
  160    HA   LEU  24           HA       LEU  24  -4.275   1.948   6.586
  161   1HB   LEU  24          2HB       LEU  24  -2.210   3.830   5.406
  162   2HB   LEU  24          3HB       LEU  24  -3.625   4.302   6.340
  163    HG   LEU  24           HG       LEU  24  -1.265   2.682   7.392
  164   1HD1  LEU  24          1HD1      LEU  24  -0.803   4.681   8.725
  165   2HD1  LEU  24          2HD1      LEU  24  -0.805   5.086   7.003
  166   3HD1  LEU  24          3HD1      LEU  24  -2.202   5.515   8.010
  167   1HD2  LEU  24          1HD2      LEU  24  -2.316   3.025   9.627
  168   2HD2  LEU  24          2HD2      LEU  24  -3.759   3.696   8.833
  169   3HD2  LEU  24          3HD2      LEU  24  -3.301   1.996   8.587
  170    H    CYS  25           H        CYS  25  -3.490   1.187   3.370
  171    HA   CYS  25           HA       CYS  25  -4.989   3.121   1.976
  172   1HB   CYS  25          2HB       CYS  25  -4.893   1.735   0.150
  173   2HB   CYS  25          3HB       CYS  25  -3.468   1.291   1.111
  174    H    SER  26           H        SER  26  -6.255   0.299   3.697
  175    HA   SER  26           HA       SER  26  -8.870   0.223   2.616
  176   1HB   SER  26          2HB       SER  26  -7.877  -0.592   5.365
  177   2HB   SER  26          3HB       SER  26  -9.408  -1.111   4.626
  178    HG   SER  26           HG       SER  26  -7.712  -2.648   4.339
  179    H    TYR  27           H        TYR  27  -7.570   2.661   4.599
  180    HA   TYR  27           HA       TYR  27 -10.243   3.634   5.502
  181   1HB   TYR  27          2HB       TYR  27  -8.883   3.872   7.294
  182   2HB   TYR  27          3HB       TYR  27  -7.420   3.986   6.351
  183    HD1  TYR  27           1HD      TYR  27 -10.500   6.033   7.126
  184    HD2  TYR  27           2HD      TYR  27  -6.280   5.977   6.222
  185    HE1  TYR  27           1HE      TYR  27 -10.381   8.494   7.502
  186    HE2  TYR  27           2HE      TYR  27  -6.160   8.424   6.603
  187    HH   TYR  27           HH       TYR  27  -9.047  10.357   7.529
  188    H    TYR  28           H        TYR  28  -7.467   4.609   3.418
  189    HA   TYR  28           HA       TYR  28  -8.771   6.993   2.410
  190   1HB   TYR  28          2HB       TYR  28  -6.326   5.382   1.596
  191   2HB   TYR  28          3HB       TYR  28  -6.889   6.766   0.658
  192    HD1  TYR  28           1HD      TYR  28  -5.097   5.772   3.677
  193    HD2  TYR  28           2HD      TYR  28  -7.073   9.030   1.646
  194    HE1  TYR  28           1HE      TYR  28  -3.981   7.397   5.190
  195    HE2  TYR  28           2HE      TYR  28  -5.947  10.656   3.161
  196    HH   TYR  28           HH       TYR  28  -3.724   9.606   5.769
  197    H    GLN  29           H        GLN  29  -8.935   3.658   1.417
  198    HA   GLN  29           HA       GLN  29  -9.976   2.514  -0.174
  199   1HB   GLN  29          2HB       GLN  29 -11.452   4.926  -1.228
  200   2HB   GLN  29          3HB       GLN  29 -11.894   3.227  -1.295
  201   1HG   GLN  29          2HG       GLN  29 -11.990   5.079   1.104
  202   2HG   GLN  29          3HG       GLN  29 -13.339   4.292   0.285
  203   1HE2  GLN  29          2HE2      GLN  29 -11.755   4.188   3.122
  204   2HE2  GLN  29          1HE2      GLN  29 -11.754   2.447   3.428
  205    H    SER  30           H        SER  30  -7.685   4.732  -0.867
  206    HA   SER  30           HA       SER  30  -7.703   4.809  -3.748
  207   1HB   SER  30          2HB       SER  30  -5.359   5.359  -1.881
  208   2HB   SER  30          3HB       SER  30  -5.647   6.031  -3.501
  209    HG   SER  30           HG       SER  30  -7.532   7.057  -2.610
  210    H    CYS  31           H        CYS  31  -7.048   2.197  -1.902
  211    HA   CYS  31           HA       CYS  31  -4.520   1.287  -2.307
  212   1HB   CYS  31          2HB       CYS  31  -6.727   0.395  -1.013
  213   2HB   CYS  31          3HB       CYS  31  -6.682  -0.754  -2.367
  214    H    CYS  32           H        CYS  32  -3.652  -0.638  -3.349
  215    HA   CYS  32           HA       CYS  32  -3.708  -0.667  -6.199
  216   1HB   CYS  32          2HB       CYS  32  -2.782  -3.101  -5.750
  217   2HB   CYS  32          3HB       CYS  32  -1.801  -1.671  -5.481
  218    H    THR  33           H        THR  33  -4.764  -1.908  -7.698
  219    HA   THR  33           HA       THR  33  -7.505  -2.311  -7.217
  220    HB   THR  33           HB       THR  33  -7.535  -3.233  -9.559
  221    HG1  THR  33           1HG      THR  33  -5.577  -3.199 -10.673
  222   1HG2  THR  33          1HG2      THR  33  -7.654  -0.786  -9.117
  223   2HG2  THR  33          2HG2      THR  33  -5.882  -0.686  -9.222
  224   3HG2  THR  33          3HG2      THR  33  -6.838  -1.163 -10.642
  225    H    ASP  34           H        ASP  34  -5.052  -4.607  -6.641
  226    HA   ASP  34           HA       ASP  34  -7.102  -6.703  -6.144
  227   1HB   ASP  34          2HB       ASP  34  -5.908  -7.032  -8.357
  228   2HB   ASP  34          3HB       ASP  34  -4.404  -7.229  -7.448
  229    H    TYR  35           H        TYR  35  -5.748  -4.772  -4.393
  230    HA   TYR  35           HA       TYR  35  -3.566  -5.361  -2.989
  231   1HB   TYR  35          2HB       TYR  35  -4.871  -3.447  -2.429
  232   2HB   TYR  35          3HB       TYR  35  -6.276  -4.427  -2.033
  233    HD1  TYR  35           1HD      TYR  35  -2.930  -3.301  -0.771
  234    HD2  TYR  35           2HD      TYR  35  -6.647  -5.317   0.148
  235    HE1  TYR  35           1HE      TYR  35  -2.507  -2.985   1.631
  236    HE2  TYR  35           2HE      TYR  35  -6.200  -4.999   2.575
  237    HH   TYR  35           HH       TYR  35  -3.388  -3.125   3.740
  238    H    THR  36           H        THR  36  -6.657  -7.007  -2.091
  239    HA   THR  36           HA       THR  36  -5.531  -8.385   0.084
  240    HB   THR  36           HB       THR  36  -7.889  -9.547  -1.387
  241    HG1  THR  36           1HG      THR  36  -9.177  -7.921  -0.528
  242   1HG2  THR  36          1HG2      THR  36  -7.272 -10.534   0.793
  243   2HG2  THR  36          2HG2      THR  36  -7.263  -8.927   1.546
  244   3HG2  THR  36          3HG2      THR  36  -8.786  -9.640   0.960
  245    H    ALA  37           H        ALA  37  -4.956  -9.110  -3.208
  246    HA   ALA  37           HA       ALA  37  -3.767 -11.732  -2.377
  247   1HB   ALA  37          1HB       ALA  37  -5.653 -12.114  -3.890
  248   2HB   ALA  37          2HB       ALA  37  -4.945 -10.999  -5.082
  249   3HB   ALA  37          3HB       ALA  37  -4.116 -12.518  -4.680
  250    H    GLU  38           H        GLU  38  -3.338  -8.820  -4.457
  251    HA   GLU  38           HA       GLU  38  -0.604  -9.574  -5.175
  252   1HB   GLU  38          2HB       GLU  38  -2.521  -7.378  -5.816
  253   2HB   GLU  38          3HB       GLU  38  -0.831  -6.891  -5.807
  254   1HG   GLU  38          2HG       GLU  38  -1.853  -9.276  -7.382
  255   2HG   GLU  38          3HG       GLU  38  -1.727  -7.642  -8.031
  256    H    CYS  39           H        CYS  39  -1.995  -7.408  -2.688
  257    HA   CYS  39           HA       CYS  39   0.777  -6.519  -2.037
  258   1HB   CYS  39          2HB       CYS  39  -1.683  -4.969  -1.373
  259   2HB   CYS  39          3HB       CYS  39  -0.047  -4.375  -1.545
  260    H    LYS  40           H        LYS  40  -1.992  -7.961  -0.591
  261    HA   LYS  40           HA       LYS  40  -2.530  -7.347   1.766
  262   1HB   LYS  40          2HB       LYS  40  -3.066  -9.526   0.727
  263   2HB   LYS  40          3HB       LYS  40  -1.600 -10.195   1.445
  264   1HG   LYS  40          2HG       LYS  40  -2.543  -9.290   3.716
  265   2HG   LYS  40          3HG       LYS  40  -4.066  -9.070   2.844
  266   1HD   LYS  40          2HD       LYS  40  -2.540 -11.681   3.263
  267   2HD   LYS  40          3HD       LYS  40  -4.007 -11.169   4.111
  268   1HE   LYS  40          2HE       LYS  40  -5.244 -11.163   1.947
  269   2HE   LYS  40          3HE       LYS  40  -3.786 -11.723   1.123
  270   1HZ   LYS  40          1HZ       LYS  40  -5.250 -13.572   1.656
  271   2HZ   LYS  40          2HZ       LYS  40  -3.861 -13.737   2.495
  272   3HZ   LYS  40          3HZ       LYS  40  -5.218 -13.225   3.250
  273    HA   PRO  41           HA       PRO  41   1.252  -6.886   4.371
  274   1HB   PRO  41          2HB       PRO  41   0.817  -4.384   5.230
  275   2HB   PRO  41          3HB       PRO  41   1.284  -4.647   3.525
  276   1HG   PRO  41          2HG       PRO  41  -1.488  -4.182   4.626
  277   2HG   PRO  41          3HG       PRO  41  -0.685  -3.414   3.215
  278   1HD   PRO  41          2HD       PRO  41  -2.370  -5.654   3.113
  279   2HD   PRO  41          3HD       PRO  41  -1.191  -5.195   1.848
  280    H    GLN  42           H        GLN  42   0.819  -5.719   6.824
  281    HA   GLN  42           HA       GLN  42  -0.941  -7.406   8.324
  282   1HB   GLN  42          2HB       GLN  42   0.946  -6.192   9.324
  283   2HB   GLN  42          3HB       GLN  42   0.196  -4.641   8.918
  284   1HG   GLN  42          2HG       GLN  42  -0.086  -5.179  11.303
  285   2HG   GLN  42          3HG       GLN  42  -1.627  -5.045  10.471
  286   1HE2  GLN  42          2HE2      GLN  42  -2.832  -6.350  11.877
  287   2HE2  GLN  42          1HE2      GLN  42  -2.527  -8.086  12.049
  288    H    VAL  43           H        VAL  43  -3.110  -7.347   8.596
  289    HA   VAL  43           HA       VAL  43  -4.723  -5.030   7.646
  290    HB   VAL  43           HB       VAL  43  -4.184  -6.608   5.787
  291   1HG1  VAL  43          1HG1      VAL  43  -4.226  -8.751   7.005
  292   2HG1  VAL  43          2HG1      VAL  43  -5.980  -8.587   7.245
  293   3HG1  VAL  43          3HG1      VAL  43  -5.311  -8.760   5.611
  294   1HG2  VAL  43          1HG2      VAL  43  -6.218  -5.162   5.748
  295   2HG2  VAL  43          2HG2      VAL  43  -6.292  -6.621   4.754
  296   3HG2  VAL  43          3HG2      VAL  43  -7.169  -6.577   6.283
  297    H    THR  44           H        THR  44  -7.184  -5.615   7.954
  298    HA   THR  44           HA       THR  44  -7.654  -5.599  10.711
  299    HB   THR  44           HB       THR  44 -10.105  -6.033   9.983
  300    HG1  THR  44           1HG      THR  44 -10.455  -5.712   7.792
  301   1HG2  THR  44          1HG2      THR  44  -9.251  -3.803  10.491
  302   2HG2  THR  44          2HG2      THR  44  -8.544  -3.666   8.862
  303   3HG2  THR  44          3HG2      THR  44 -10.309  -3.745   9.077
  304    H    ARG  45           H        ARG  45  -8.223  -6.947  12.231
  305    HA   ARG  45           HA       ARG  45  -8.340  -9.886  11.760
  306   1HB   ARG  45          2HB       ARG  45  -6.914  -8.863  13.549
  307   2HB   ARG  45          3HB       ARG  45  -8.374  -8.251  14.338
  308   1HG   ARG  45          2HG       ARG  45  -9.162 -10.578  14.697
  309   2HG   ARG  45          3HG       ARG  45  -7.758 -11.195  13.803
  310   1HD   ARG  45          2HD       ARG  45  -7.344 -11.440  16.176
  311   2HD   ARG  45          3HD       ARG  45  -6.247 -10.238  15.513
  312    HE   ARG  45           HE       ARG  45  -7.207  -8.604  16.839
  313   1HH1  ARG  45          2HH2      ARG  45  -9.373 -11.363  16.964
  314   2HH1  ARG  45          1HH2      ARG  45 -10.320 -10.668  18.250
  315   1HH2  ARG  45          1HH1      ARG  45  -8.450  -7.801  18.495
  316   2HH2  ARG  45          2HH1      ARG  45  -9.812  -8.707  19.078
  317    H    GLY  46           H        GLY  46 -10.463  -7.222  12.568
  318   1HA   GLY  46          2HA       GLY  46 -12.853  -8.279  11.748
  319   2HA   GLY  46          3HA       GLY  46 -12.749  -8.841  13.422
  320    H    ASP  47           H        ASP  47 -11.558  -6.636  14.657
  321    HA   ASP  47           HA       ASP  47 -13.201  -4.236  14.020
  322   1HB   ASP  47          2HB       ASP  47 -14.286  -5.722  15.780
  323   2HB   ASP  47          3HB       ASP  47 -12.883  -5.431  16.804
  324    H    VAL  48           H        VAL  48 -10.266  -5.254  14.160
  325    HA   VAL  48           HA       VAL  48  -8.944  -2.716  14.759
  326    HB   VAL  48           HB       VAL  48  -7.206  -3.738  16.193
  327   1HG1  VAL  48          1HG1      VAL  48  -8.365  -3.727  18.292
  328   2HG1  VAL  48          2HG1      VAL  48  -9.084  -2.497  17.240
  329   3HG1  VAL  48          3HG1      VAL  48  -9.923  -4.042  17.508
  330   1HG2  VAL  48          1HG2      VAL  48  -7.479  -6.128  15.613
  331   2HG2  VAL  48          2HG2      VAL  48  -7.556  -5.856  17.356
  332   3HG2  VAL  48          3HG2      VAL  48  -9.053  -6.151  16.443
  333    H    PHE  49           H        PHE  49  -6.602  -2.851  14.039
  334    HA   PHE  49           HA       PHE  49  -6.008  -5.132  12.204
  335   1HB   PHE  49          2HB       PHE  49  -5.400  -3.726  10.413
  336   2HB   PHE  49          3HB       PHE  49  -6.987  -3.176  10.942
  337    HD1  PHE  49           1HD      PHE  49  -3.462  -2.294  10.509
  338    HD2  PHE  49           2HD      PHE  49  -7.202  -1.017  12.244
  339    HE1  PHE  49           1HE      PHE  49  -2.565   0.008  10.755
  340    HE2  PHE  49           2HE      PHE  49  -6.293   1.281  12.500
  341    HZ   PHE  49           HZ       PHE  49  -3.975   1.796  11.756
  342    H    THR  50           H        THR  50  -4.804  -3.086  14.684
  343    HA   THR  50           HA       THR  50  -1.997  -3.132  13.985
  344    HB   THR  50           HB       THR  50  -1.743  -2.506  16.442
  345    HG1  THR  50           1HG      THR  50  -3.635  -1.956  17.513
  346   1HG2  THR  50          1HG2      THR  50  -2.673  -0.252  16.144
  347   2HG2  THR  50          2HG2      THR  50  -1.893  -0.802  14.653
  348   3HG2  THR  50          3HG2      THR  50  -3.665  -0.813  14.779
  349    H    MET  51           H        MET  51  -0.324  -4.207  15.150
  350    HA   MET  51           HA       MET  51  -0.890  -6.640  16.693
  351   1HB   MET  51          2HB       MET  51  -1.042  -7.361  14.298
  352   2HB   MET  51          3HB       MET  51   0.603  -6.774  14.034
  353   1HG   MET  51          2HG       MET  51   0.633  -9.163  14.349
  354   2HG   MET  51          3HG       MET  51   1.427  -8.399  15.734
  355   1HE   MET  51          1HE       MET  51   1.353 -10.620  17.099
  356   2HE   MET  51          2HE       MET  51  -0.108 -11.602  17.348
  357   3HE   MET  51          3HE       MET  51   0.592 -11.450  15.721
  Start of MODEL   12
    1   1H    ASP   1          1H        ASP   1   2.775  -2.769 -21.013
    2   2H    ASP   1          2H        ASP   1   1.249  -2.431 -20.530
    3   3H    ASP   1          3H        ASP   1   2.505  -2.181 -19.510
    4    HA   ASP   1           HA       ASP   1   1.596  -4.790 -20.525
    5   1HB   ASP   1          2HB       ASP   1   4.024  -4.732 -20.203
    6   2HB   ASP   1          3HB       ASP   1   3.816  -4.176 -18.536
    7    H    GLN   2           H        GLN   2   2.339  -4.127 -17.136
    8    HA   GLN   2           HA       GLN   2  -0.349  -3.384 -16.371
    9   1HB   GLN   2          2HB       GLN   2  -0.728  -5.358 -14.874
   10   2HB   GLN   2          3HB       GLN   2  -0.882  -5.677 -16.581
   11   1HG   GLN   2          2HG       GLN   2   0.197  -7.528 -15.441
   12   2HG   GLN   2          3HG       GLN   2   1.253  -6.824 -16.644
   13   1HE2  GLN   2          2HE2      GLN   2   3.368  -6.612 -15.957
   14   2HE2  GLN   2          1HE2      GLN   2   3.838  -6.425 -14.256
   15    H    GLU   3           H        GLU   3  -0.408  -3.601 -13.770
   16    HA   GLU   3           HA       GLU   3   2.214  -2.873 -12.585
   17   1HB   GLU   3          2HB       GLU   3   1.134  -0.757 -13.250
   18   2HB   GLU   3          3HB       GLU   3  -0.339  -1.216 -12.382
   19   1HG   GLU   3          2HG       GLU   3   0.970   0.405 -11.106
   20   2HG   GLU   3          3HG       GLU   3   0.846  -1.119 -10.239
   21    H    SER   4           H        SER   4   2.514  -3.764 -10.636
   22    HA   SER   4           HA       SER   4   0.322  -4.837  -8.977
   23   1HB   SER   4          2HB       SER   4   2.461  -6.639 -10.235
   24   2HB   SER   4          3HB       SER   4   1.342  -7.115  -8.943
   25    HG   SER   4           HG       SER   4   0.810  -6.577 -11.656
   26    H    CYS   5           H        CYS   5   0.994  -5.474  -6.910
   27    HA   CYS   5           HA       CYS   5   3.141  -3.882  -5.834
   28   1HB   CYS   5          2HB       CYS   5   0.895  -4.277  -4.842
   29   2HB   CYS   5          3HB       CYS   5   1.329  -5.967  -4.571
   30    H    LYS   6           H        LYS   6   3.278  -7.125  -7.011
   31    HA   LYS   6           HA       LYS   6   4.743  -8.343  -4.884
   32   1HB   LYS   6          2HB       LYS   6   4.475  -9.165  -7.792
   33   2HB   LYS   6          3HB       LYS   6   5.201 -10.155  -6.506
   34   1HG   LYS   6          2HG       LYS   6   3.039  -9.892  -5.196
   35   2HG   LYS   6          3HG       LYS   6   2.312  -9.174  -6.639
   36   1HD   LYS   6          2HD       LYS   6   3.521 -11.952  -6.433
   37   2HD   LYS   6          3HD       LYS   6   1.808 -11.587  -6.335
   38   1HE   LYS   6          2HE       LYS   6   3.571 -11.074  -8.780
   39   2HE   LYS   6          3HE       LYS   6   2.545 -12.489  -8.544
   40   1HZ   LYS   6          1HZ       LYS   6   1.356 -10.905  -9.864
   41   2HZ   LYS   6          2HZ       LYS   6   0.608 -10.962  -8.408
   42   3HZ   LYS   6          3HZ       LYS   6   1.571  -9.700  -8.785
   43    H    GLY   7           H        GLY   7   6.426  -7.458  -4.179
   44   1HA   GLY   7          2HA       GLY   7   8.976  -7.476  -4.494
   45   2HA   GLY   7          3HA       GLY   7   8.652  -6.479  -5.921
   46    H    ARG   8           H        ARG   8   6.347  -5.331  -3.895
   47    HA   ARG   8           HA       ARG   8   8.136  -3.249  -2.660
   48   1HB   ARG   8          2HB       ARG   8   5.532  -2.768  -4.156
   49   2HB   ARG   8          3HB       ARG   8   6.623  -1.558  -3.476
   50   1HG   ARG   8          2HG       ARG   8   8.407  -2.418  -5.092
   51   2HG   ARG   8          3HG       ARG   8   7.109  -3.325  -5.889
   52   1HD   ARG   8          2HD       ARG   8   7.252  -0.309  -5.488
   53   2HD   ARG   8          3HD       ARG   8   7.518  -1.174  -7.004
   54    HE   ARG   8           HE       ARG   8   4.924  -0.775  -5.579
   55   1HH1  ARG   8          1HH1      ARG   8   6.471  -1.892  -8.573
   56   2HH1  ARG   8          2HH1      ARG   8   4.901  -1.875  -9.389
   57   1HH2  ARG   8          1HH2      ARG   8   3.028  -0.887  -6.824
   58   2HH2  ARG   8          2HH2      ARG   8   3.200  -1.416  -8.504
   59    H    CYS   9           H        CYS   9   5.036  -4.966  -2.302
   60    HA   CYS   9           HA       CYS   9   3.600  -3.552  -0.672
   61   1HB   CYS   9          2HB       CYS   9   4.127  -6.459  -0.015
   62   2HB   CYS   9          3HB       CYS   9   2.615  -5.551   0.133
   63    H    THR  10           H        THR  10   3.118  -3.088   1.353
   64    HA   THR  10           HA       THR  10   3.294  -2.551   3.528
   65    HB   THR  10           HB       THR  10   5.460  -4.530   4.163
   66    HG1  THR  10           1HG      THR  10   4.043  -6.192   4.104
   67   1HG2  THR  10          1HG2      THR  10   4.344  -3.209   5.983
   68   2HG2  THR  10          2HG2      THR  10   2.777  -3.862   5.470
   69   3HG2  THR  10          3HG2      THR  10   4.027  -4.942   6.128
   70    H    GLU  11           H        GLU  11   5.072  -1.351   1.509
   71    HA   GLU  11           HA       GLU  11   7.601  -0.617   2.653
   72   1HB   GLU  11          2HB       GLU  11   7.553   1.115   0.852
   73   2HB   GLU  11          3HB       GLU  11   7.380  -0.540   0.297
   74   1HG   GLU  11          2HG       GLU  11   4.918  -0.196   0.033
   75   2HG   GLU  11          3HG       GLU  11   5.093   1.460   0.633
   76    H    GLY  12           H        GLY  12   4.538   0.499   3.574
   77   1HA   GLY  12          2HA       GLY  12   4.089   2.201   5.168
   78   2HA   GLY  12          3HA       GLY  12   5.551   3.069   4.734
   79    H    PHE  13           H        PHE  13   2.502   3.530   4.745
   80    HA   PHE  13           HA       PHE  13   1.592   3.950   2.095
   81   1HB   PHE  13          2HB       PHE  13   0.101   3.542   3.938
   82   2HB   PHE  13          3HB       PHE  13   0.673   4.976   4.798
   83    HD1  PHE  13           1HD      PHE  13  -1.456   3.662   2.074
   84    HD2  PHE  13           2HD      PHE  13  -0.152   7.199   4.183
   85    HE1  PHE  13           1HE      PHE  13  -3.442   4.901   1.247
   86    HE2  PHE  13           2HE      PHE  13  -2.083   8.449   3.268
   87    HZ   PHE  13           HZ       PHE  13  -3.726   7.296   1.811
   88    H    ASN  14           H        ASN  14   1.374   5.647   0.783
   89    HA   ASN  14           HA       ASN  14   1.733   8.408   1.628
   90   1HB   ASN  14          2HB       ASN  14   4.060   7.763   1.111
   91   2HB   ASN  14          3HB       ASN  14   3.576   7.205  -0.494
   92   1HD2  ASN  14          2HD2      ASN  14   5.561   9.251   0.126
   93   2HD2  ASN  14          1HD2      ASN  14   4.943  10.748  -0.574
   94    H    VAL  15           H        VAL  15  -0.122   9.240   0.862
   95    HA   VAL  15           HA       VAL  15  -1.636   7.836  -1.121
   96    HB   VAL  15           HB       VAL  15  -2.384   9.093   0.989
   97   1HG1  VAL  15          1HG1      VAL  15  -2.827  11.387  -0.913
   98   2HG1  VAL  15          2HG1      VAL  15  -3.358  11.229   0.780
   99   3HG1  VAL  15          3HG1      VAL  15  -1.629  11.344   0.410
  100   1HG2  VAL  15          1HG2      VAL  15  -3.799   7.763  -0.479
  101   2HG2  VAL  15          2HG2      VAL  15  -4.643   9.163   0.195
  102   3HG2  VAL  15          3HG2      VAL  15  -4.097   9.192  -1.499
  103    H    ASP  16           H        ASP  16   0.754  10.157  -1.657
  104    HA   ASP  16           HA       ASP  16  -0.369  11.301  -4.114
  105   1HB   ASP  16          2HB       ASP  16   1.260  12.461  -2.614
  106   2HB   ASP  16          3HB       ASP  16   2.477  11.254  -3.066
  107    H    LYS  17           H        LYS  17   1.296   8.357  -3.308
  108    HA   LYS  17           HA       LYS  17   2.642   7.926  -5.847
  109   1HB   LYS  17          2HB       LYS  17   1.984   5.985  -3.586
  110   2HB   LYS  17          3HB       LYS  17   3.122   5.670  -4.903
  111   1HG   LYS  17          2HG       LYS  17   3.420   7.827  -2.772
  112   2HG   LYS  17          3HG       LYS  17   4.267   6.274  -2.828
  113   1HD   LYS  17          2HD       LYS  17   5.361   6.953  -4.958
  114   2HD   LYS  17          3HD       LYS  17   4.545   8.536  -4.862
  115   1HE   LYS  17          2HE       LYS  17   5.622   8.980  -2.689
  116   2HE   LYS  17          3HE       LYS  17   6.434   7.403  -2.754
  117   1HZ   LYS  17          1HZ       LYS  17   7.600   8.165  -4.755
  118   2HZ   LYS  17          2HZ       LYS  17   6.847   9.616  -4.701
  119   3HZ   LYS  17          3HZ       LYS  17   7.893   9.191  -3.523
  120    H    LYS  18           H        LYS  18   2.362   5.899  -7.102
  121    HA   LYS  18           HA       LYS  18  -0.278   5.965  -8.338
  122   1HB   LYS  18          2HB       LYS  18   2.384   4.709  -8.973
  123   2HB   LYS  18          3HB       LYS  18   0.938   4.102  -9.792
  124   1HG   LYS  18          2HG       LYS  18   1.968   5.794 -11.162
  125   2HG   LYS  18          3HG       LYS  18   0.403   6.382 -10.575
  126   1HD   LYS  18          2HD       LYS  18   1.613   7.701  -8.806
  127   2HD   LYS  18          3HD       LYS  18   3.156   7.151  -9.497
  128   1HE   LYS  18          2HE       LYS  18   2.551   8.188 -11.670
  129   2HE   LYS  18          3HE       LYS  18   1.001   8.711 -10.997
  130   1HZ   LYS  18          1HZ       LYS  18   3.667   9.614 -10.038
  131   2HZ   LYS  18          2HZ       LYS  18   2.629  10.504 -10.927
  132   3HZ   LYS  18          3HZ       LYS  18   2.236  10.087  -9.400
  133    H    CYS  19           H        CYS  19   1.065   3.959  -5.942
  134    HA   CYS  19           HA       CYS  19  -1.531   2.599  -5.674
  135   1HB   CYS  19          2HB       CYS  19  -0.735   0.453  -5.340
  136   2HB   CYS  19          3HB       CYS  19   0.050   0.943  -6.841
  137    H    GLN  20           H        GLN  20  -2.022   2.226  -3.562
  138    HA   GLN  20           HA       GLN  20  -0.153   3.274  -1.467
  139   1HB   GLN  20          2HB       GLN  20  -3.180   3.073  -1.651
  140   2HB   GLN  20          3HB       GLN  20  -2.332   3.281  -0.122
  141   1HG   GLN  20          2HG       GLN  20  -3.012   5.453  -0.972
  142   2HG   GLN  20          3HG       GLN  20  -1.260   5.329  -0.842
  143   1HE2  GLN  20          2HE2      GLN  20  -0.277   6.445  -2.562
  144   2HE2  GLN  20          1HE2      GLN  20  -0.983   6.498  -4.173
  145    H    CYS  21           H        CYS  21   0.828   1.153  -2.273
  146    HA   CYS  21           HA       CYS  21  -0.276  -1.393  -1.625
  147   1HB   CYS  21          2HB       CYS  21   2.529  -0.391  -2.288
  148   2HB   CYS  21          3HB       CYS  21   2.081  -2.079  -2.116
  149    H    ASP  22           H        ASP  22  -0.562   0.004   0.759
  150    HA   ASP  22           HA       ASP  22   1.139  -1.412   2.710
  151   1HB   ASP  22          2HB       ASP  22   2.295   0.746   2.108
  152   2HB   ASP  22          3HB       ASP  22   0.857   1.620   2.668
  153    H    GLU  23           H        GLU  23   0.412  -0.972   4.950
  154    HA   GLU  23           HA       GLU  23  -2.057  -2.078   5.343
  155   1HB   GLU  23          2HB       GLU  23  -0.570  -0.360   7.360
  156   2HB   GLU  23          3HB       GLU  23  -1.691  -1.684   7.693
  157   1HG   GLU  23          2HG       GLU  23  -0.070  -3.240   6.501
  158   2HG   GLU  23          3HG       GLU  23   1.083  -1.898   6.425
  159    H    LEU  24           H        LEU  24  -1.517   1.470   5.372
  160    HA   LEU  24           HA       LEU  24  -4.081   2.032   6.641
  161   1HB   LEU  24          2HB       LEU  24  -2.155   3.859   5.159
  162   2HB   LEU  24          3HB       LEU  24  -3.538   4.388   6.109
  163    HG   LEU  24           HG       LEU  24  -1.054   2.992   7.184
  164   1HD1  LEU  24          1HD1      LEU  24  -0.664   5.125   8.312
  165   2HD1  LEU  24          2HD1      LEU  24  -0.803   5.393   6.568
  166   3HD1  LEU  24          3HD1      LEU  24  -2.164   5.796   7.634
  167   1HD2  LEU  24          1HD2      LEU  24  -2.956   2.268   8.541
  168   2HD2  LEU  24          2HD2      LEU  24  -2.037   3.478   9.436
  169   3HD2  LEU  24          3HD2      LEU  24  -3.563   3.936   8.646
  170    H    CYS  25           H        CYS  25  -3.381   1.222   3.357
  171    HA   CYS  25           HA       CYS  25  -5.038   3.108   2.053
  172   1HB   CYS  25          2HB       CYS  25  -4.795   1.809   0.148
  173   2HB   CYS  25          3HB       CYS  25  -3.316   1.547   1.082
  174    H    SER  26           H        SER  26  -6.036   0.233   3.807
  175    HA   SER  26           HA       SER  26  -8.642  -0.089   2.629
  176   1HB   SER  26          2HB       SER  26  -9.083  -1.527   4.542
  177   2HB   SER  26          3HB       SER  26  -7.495  -1.878   3.846
  178    HG   SER  26           HG       SER  26  -7.421  -1.734   6.145
  179    H    TYR  27           H        TYR  27  -7.441   2.308   4.779
  180    HA   TYR  27           HA       TYR  27 -10.157   3.173   5.642
  181   1HB   TYR  27          2HB       TYR  27  -8.789   3.426   7.444
  182   2HB   TYR  27          3HB       TYR  27  -7.350   3.698   6.491
  183    HD1  TYR  27           1HD      TYR  27 -10.596   5.425   7.359
  184    HD2  TYR  27           2HD      TYR  27  -6.417   5.798   6.362
  185    HE1  TYR  27           1HE      TYR  27 -10.733   7.897   7.680
  186    HE2  TYR  27           2HE      TYR  27  -6.564   8.266   6.627
  187    HH   TYR  27           HH       TYR  27  -7.910  10.047   7.174
  188    H    TYR  28           H        TYR  28  -7.387   4.359   3.655
  189    HA   TYR  28           HA       TYR  28  -8.774   6.731   2.765
  190   1HB   TYR  28          2HB       TYR  28  -6.241   5.314   1.899
  191   2HB   TYR  28          3HB       TYR  28  -6.838   6.755   1.079
  192    HD1  TYR  28           1HD      TYR  28  -5.174   5.517   4.100
  193    HD2  TYR  28           2HD      TYR  28  -6.930   8.947   2.164
  194    HE1  TYR  28           1HE      TYR  28  -3.928   7.019   5.640
  195    HE2  TYR  28           2HE      TYR  28  -5.675  10.454   3.706
  196    HH   TYR  28           HH       TYR  28  -3.468   9.188   6.230
  197    H    GLN  29           H        GLN  29  -8.971   3.482   1.578
  198    HA   GLN  29           HA       GLN  29  -9.992   2.482  -0.135
  199   1HB   GLN  29          2HB       GLN  29 -11.459   5.019  -0.884
  200   2HB   GLN  29          3HB       GLN  29 -11.937   3.347  -1.139
  201   1HG   GLN  29          2HG       GLN  29 -11.912   4.896   1.468
  202   2HG   GLN  29          3HG       GLN  29 -13.311   4.260   0.601
  203   1HE2  GLN  29          2HE2      GLN  29 -11.714   3.767   3.352
  204   2HE2  GLN  29          1HE2      GLN  29 -11.724   2.004   3.453
  205    H    SER  30           H        SER  30  -7.480   4.122  -0.600
  206    HA   SER  30           HA       SER  30  -7.567   4.843  -3.455
  207   1HB   SER  30          2HB       SER  30  -5.279   5.801  -2.795
  208   2HB   SER  30          3HB       SER  30  -6.697   6.469  -1.955
  209    HG   SER  30           HG       SER  30  -5.129   5.982  -0.439
  210    H    CYS  31           H        CYS  31  -6.770   2.058  -1.812
  211    HA   CYS  31           HA       CYS  31  -4.214   1.349  -2.500
  212   1HB   CYS  31          2HB       CYS  31  -6.359   0.210  -1.139
  213   2HB   CYS  31          3HB       CYS  31  -6.084  -0.915  -2.478
  214    H    CYS  32           H        CYS  32  -3.410  -0.519  -3.678
  215    HA   CYS  32           HA       CYS  32  -3.708  -0.512  -6.516
  216   1HB   CYS  32          2HB       CYS  32  -2.700  -2.871  -6.293
  217   2HB   CYS  32          3HB       CYS  32  -1.716  -1.535  -5.718
  218    H    THR  33           H        THR  33  -4.812  -1.879  -7.926
  219    HA   THR  33           HA       THR  33  -7.480  -2.180  -7.521
  220    HB   THR  33           HB       THR  33  -5.907  -3.887  -9.477
  221    HG1  THR  33           1HG      THR  33  -5.908  -2.053 -10.788
  222   1HG2  THR  33          1HG2      THR  33  -8.615  -2.485  -9.685
  223   2HG2  THR  33          2HG2      THR  33  -7.788  -3.322 -11.019
  224   3HG2  THR  33          3HG2      THR  33  -8.340  -4.241  -9.619
  225    H    ASP  34           H        ASP  34  -5.134  -4.623  -6.652
  226    HA   ASP  34           HA       ASP  34  -7.305  -6.489  -5.793
  227   1HB   ASP  34          2HB       ASP  34  -4.779  -7.156  -7.352
  228   2HB   ASP  34          3HB       ASP  34  -5.853  -8.356  -6.619
  229    H    TYR  35           H        TYR  35  -5.648  -4.537  -4.203
  230    HA   TYR  35           HA       TYR  35  -3.590  -5.318  -2.752
  231   1HB   TYR  35          2HB       TYR  35  -4.813  -3.311  -2.209
  232   2HB   TYR  35          3HB       TYR  35  -6.153  -4.260  -1.559
  233    HD1  TYR  35           1HD      TYR  35  -2.599  -3.240  -0.973
  234    HD2  TYR  35           2HD      TYR  35  -6.091  -5.167   0.686
  235    HE1  TYR  35           1HE      TYR  35  -1.530  -3.245   1.261
  236    HE2  TYR  35           2HE      TYR  35  -5.014  -5.149   2.933
  237    HH   TYR  35           HH       TYR  35  -1.751  -3.775   3.469
  238    H    THR  36           H        THR  36  -6.769  -6.640  -1.641
  239    HA   THR  36           HA       THR  36  -5.586  -8.226   0.354
  240    HB   THR  36           HB       THR  36  -8.250  -9.026  -0.788
  241    HG1  THR  36           1HG      THR  36  -9.188  -7.227   0.176
  242   1HG2  THR  36          1HG2      THR  36  -7.479 -10.043   1.349
  243   2HG2  THR  36          2HG2      THR  36  -7.228  -8.426   2.037
  244   3HG2  THR  36          3HG2      THR  36  -8.867  -8.988   1.632
  245    H    ALA  37           H        ALA  37  -5.429  -8.910  -2.949
  246    HA   ALA  37           HA       ALA  37  -4.826 -11.798  -2.406
  247   1HB   ALA  37          1HB       ALA  37  -6.845 -11.519  -3.781
  248   2HB   ALA  37          2HB       ALA  37  -5.932 -10.524  -4.941
  249   3HB   ALA  37          3HB       ALA  37  -5.521 -12.239  -4.720
  250    H    GLU  38           H        GLU  38  -3.741  -8.827  -4.058
  251    HA   GLU  38           HA       GLU  38  -1.247 -10.222  -4.965
  252   1HB   GLU  38          2HB       GLU  38  -2.747  -7.837  -6.103
  253   2HB   GLU  38          3HB       GLU  38  -1.241  -8.492  -6.751
  254   1HG   GLU  38          2HG       GLU  38  -3.921  -9.938  -6.628
  255   2HG   GLU  38          3HG       GLU  38  -3.177  -9.232  -8.055
  256    H    CYS  39           H        CYS  39  -2.287  -7.645  -2.863
  257    HA   CYS  39           HA       CYS  39   0.533  -6.723  -2.678
  258   1HB   CYS  39          2HB       CYS  39  -1.678  -4.949  -1.875
  259   2HB   CYS  39          3HB       CYS  39  -0.105  -4.494  -2.392
  260    H    LYS  40           H        LYS  40  -1.644  -8.510  -1.103
  261    HA   LYS  40           HA       LYS  40  -1.890  -7.461   1.444
  262   1HB   LYS  40          2HB       LYS  40  -3.262  -9.222   0.479
  263   2HB   LYS  40          3HB       LYS  40  -1.918 -10.369   0.581
  264   1HG   LYS  40          2HG       LYS  40  -1.980 -10.345   3.000
  265   2HG   LYS  40          3HG       LYS  40  -3.028  -8.909   3.020
  266   1HD   LYS  40          2HD       LYS  40  -4.339 -10.888   3.562
  267   2HD   LYS  40          3HD       LYS  40  -4.865 -10.181   2.033
  268   1HE   LYS  40          2HE       LYS  40  -3.298 -11.926   0.898
  269   2HE   LYS  40          3HE       LYS  40  -3.221 -12.709   2.482
  270   1HZ   LYS  40          1HZ       LYS  40  -5.661 -12.185   0.871
  271   2HZ   LYS  40          2HZ       LYS  40  -4.993 -13.655   1.132
  272   3HZ   LYS  40          3HZ       LYS  40  -5.693 -12.856   2.375
  273    HA   PRO  41           HA       PRO  41   2.270  -7.928   3.280
  274   1HB   PRO  41          2HB       PRO  41   0.440  -7.871   5.696
  275   2HB   PRO  41          3HB       PRO  41   2.028  -7.072   5.471
  276   1HG   PRO  41          2HG       PRO  41  -0.280  -5.667   5.177
  277   2HG   PRO  41          3HG       PRO  41   1.067  -5.428   4.015
  278   1HD   PRO  41          2HD       PRO  41  -1.468  -6.985   3.598
  279   2HD   PRO  41          3HD       PRO  41  -0.528  -5.981   2.471
  280    H    GLN  42           H        GLN  42   3.289  -9.872   3.420
  281    HA   GLN  42           HA       GLN  42   1.813 -12.284   3.270
  282   1HB   GLN  42          2HB       GLN  42   4.779 -11.869   3.808
  283   2HB   GLN  42          3HB       GLN  42   4.017 -13.414   3.386
  284   1HG   GLN  42          2HG       GLN  42   3.193 -12.336   1.242
  285   2HG   GLN  42          3HG       GLN  42   4.198 -10.932   1.628
  286   1HE2  GLN  42          2HE2      GLN  42   6.633 -11.532   2.118
  287   2HE2  GLN  42          1HE2      GLN  42   7.302 -12.817   1.111
  288    H    VAL  43           H        VAL  43   1.146 -13.764   4.676
  289    HA   VAL  43           HA       VAL  43   1.566 -13.509   7.572
  290    HB   VAL  43           HB       VAL  43   0.183 -15.716   5.990
  291   1HG1  VAL  43          1HG1      VAL  43  -0.875 -16.242   8.175
  292   2HG1  VAL  43          2HG1      VAL  43   0.874 -16.456   8.254
  293   3HG1  VAL  43          3HG1      VAL  43   0.129 -15.007   8.964
  294   1HG2  VAL  43          1HG2      VAL  43  -1.914 -14.619   6.744
  295   2HG2  VAL  43          2HG2      VAL  43  -0.966 -13.283   7.432
  296   3HG2  VAL  43          3HG2      VAL  43  -0.986 -13.563   5.679
  297    H    THR  44           H        THR  44   3.688 -13.795   8.045
  298    HA   THR  44           HA       THR  44   5.461 -15.590   6.747
  299    HB   THR  44           HB       THR  44   6.127 -13.564   8.002
  300    HG1  THR  44           1HG      THR  44   8.030 -14.507   8.728
  301   1HG2  THR  44          1HG2      THR  44   5.880 -15.296  10.503
  302   2HG2  THR  44          2HG2      THR  44   6.554 -13.658  10.393
  303   3HG2  THR  44          3HG2      THR  44   4.826 -13.919  10.109
  304    H    ARG  45           H        ARG  45   6.717 -17.277   7.692
  305    HA   ARG  45           HA       ARG  45   5.377 -19.098   9.637
  306   1HB   ARG  45          2HB       ARG  45   4.590 -19.745   7.410
  307   2HB   ARG  45          3HB       ARG  45   6.236 -19.815   6.799
  308   1HG   ARG  45          2HG       ARG  45   5.265 -22.040   7.162
  309   2HG   ARG  45          3HG       ARG  45   6.723 -21.786   8.121
  310   1HD   ARG  45          2HD       ARG  45   5.198 -21.254  10.114
  311   2HD   ARG  45          3HD       ARG  45   3.833 -21.696   9.094
  312    HE   ARG  45           HE       ARG  45   4.375 -23.939   9.340
  313   1HH1  ARG  45          2HH2      ARG  45   7.160 -22.106  10.492
  314   2HH1  ARG  45          1HH2      ARG  45   7.870 -23.521  11.227
  315   1HH2  ARG  45          1HH1      ARG  45   5.386 -25.683  10.254
  316   2HH2  ARG  45          2HH1      ARG  45   6.914 -25.488  11.060
  317    H    GLY  46           H        GLY  46   8.271 -17.654   8.581
  318   1HA   GLY  46          2HA       GLY  46  10.432 -17.797   9.305
  319   2HA   GLY  46          3HA       GLY  46   9.846 -18.768  10.655
  320    H    ASP  47           H        ASP  47   9.218 -20.177   7.571
  321    HA   ASP  47           HA       ASP  47  11.650 -21.886   7.608
  322   1HB   ASP  47          2HB       ASP  47   9.837 -22.796   9.142
  323   2HB   ASP  47          3HB       ASP  47   8.810 -22.981   7.721
  324    H    VAL  48           H        VAL  48  10.511 -19.840   5.731
  325    HA   VAL  48           HA       VAL  48  10.474 -21.434   3.221
  326    HB   VAL  48           HB       VAL  48   8.646 -20.032   2.319
  327   1HG1  VAL  48          1HG1      VAL  48   8.204 -22.311   3.188
  328   2HG1  VAL  48          2HG1      VAL  48   7.775 -21.615   4.766
  329   3HG1  VAL  48          3HG1      VAL  48   6.805 -21.234   3.330
  330   1HG2  VAL  48          1HG2      VAL  48   7.105 -18.837   3.806
  331   2HG2  VAL  48          2HG2      VAL  48   8.157 -19.147   5.200
  332   3HG2  VAL  48          3HG2      VAL  48   8.709 -18.104   3.870
  333    H    PHE  49           H        PHE  49  11.177 -20.350   1.372
  334    HA   PHE  49           HA       PHE  49  13.151 -18.279   1.801
  335   1HB   PHE  49          2HB       PHE  49  13.342 -20.139   0.172
  336   2HB   PHE  49          3HB       PHE  49  11.993 -19.470  -0.751
  337    HD1  PHE  49           1HD      PHE  49  12.411 -17.864  -2.465
  338    HD2  PHE  49           2HD      PHE  49  15.456 -18.683   0.480
  339    HE1  PHE  49           1HE      PHE  49  14.029 -16.485  -3.750
  340    HE2  PHE  49           2HE      PHE  49  17.070 -17.301  -0.807
  341    HZ   PHE  49           HZ       PHE  49  16.359 -16.200  -2.924
  342    H    THR  50           H        THR  50   9.768 -18.163   0.908
  343    HA   THR  50           HA       THR  50   9.798 -15.762  -0.655
  344    HB   THR  50           HB       THR  50   7.290 -15.885  -0.300
  345    HG1  THR  50           1HG      THR  50   6.536 -17.733   0.732
  346   1HG2  THR  50          1HG2      THR  50   6.996 -17.930  -1.609
  347   2HG2  THR  50          2HG2      THR  50   8.411 -17.040  -2.194
  348   3HG2  THR  50          3HG2      THR  50   8.630 -18.485  -1.182
  349    H    MET  51           H        MET  51   9.905 -16.088   2.780
  350    HA   MET  51           HA       MET  51   9.370 -13.194   3.154
  351   1HB   MET  51          2HB       MET  51   7.192 -14.359   3.440
  352   2HB   MET  51          3HB       MET  51   7.904 -15.385   4.685
  353   1HG   MET  51          2HG       MET  51   6.601 -13.595   5.668
  354   2HG   MET  51          3HG       MET  51   8.306 -13.416   6.105
  355   1HE   MET  51          1HE       MET  51   7.604 -11.003   7.027
  356   2HE   MET  51          2HE       MET  51   6.830  -9.752   6.028
  357   3HE   MET  51          3HE       MET  51   5.936 -11.229   6.449
  Start of MODEL   13
    1   1H    ASP   1          1H        ASP   1   2.718   7.449 -15.742
    2   2H    ASP   1          2H        ASP   1   4.041   7.197 -16.682
    3   3H    ASP   1          3H        ASP   1   2.785   6.131 -16.712
    4    HA   ASP   1           HA       ASP   1   4.549   5.161 -15.462
    5   1HB   ASP   1          2HB       ASP   1   4.432   7.741 -13.844
    6   2HB   ASP   1          3HB       ASP   1   5.308   6.282 -13.355
    7    H    GLN   2           H        GLN   2   4.164   3.814 -13.693
    8    HA   GLN   2           HA       GLN   2   1.662   4.030 -12.155
    9   1HB   GLN   2          2HB       GLN   2   0.818   1.888 -12.950
   10   2HB   GLN   2          3HB       GLN   2   0.885   3.053 -14.251
   11   1HG   GLN   2          2HG       GLN   2   3.111   1.002 -13.863
   12   2HG   GLN   2          3HG       GLN   2   1.615   0.600 -14.686
   13   1HE2  GLN   2          2HE2      GLN   2   1.144   1.547 -16.778
   14   2HE2  GLN   2          1HE2      GLN   2   2.438   2.325 -17.689
   15    H    GLU   3           H        GLU   3   1.410   1.885 -10.824
   16    HA   GLU   3           HA       GLU   3   4.018   0.795  -9.889
   17   1HB   GLU   3          2HB       GLU   3   1.905   2.091  -8.114
   18   2HB   GLU   3          3HB       GLU   3   3.266   1.111  -7.532
   19   1HG   GLU   3          2HG       GLU   3   4.852   2.731  -8.558
   20   2HG   GLU   3          3HG       GLU   3   3.507   3.765  -9.006
   21    H    SER   4           H        SER   4   3.794  -1.142  -8.596
   22    HA   SER   4           HA       SER   4   1.211  -2.501  -8.412
   23   1HB   SER   4          2HB       SER   4   1.803  -4.453  -9.675
   24   2HB   SER   4          3HB       SER   4   2.009  -3.053 -10.743
   25    HG   SER   4           HG       SER   4   4.239  -3.170 -10.408
   26    H    CYS   5           H        CYS   5   1.479  -4.672  -7.282
   27    HA   CYS   5           HA       CYS   5   3.025  -4.355  -4.956
   28   1HB   CYS   5          2HB       CYS   5   0.872  -5.668  -5.342
   29   2HB   CYS   5          3HB       CYS   5   1.856  -6.952  -6.056
   30    H    LYS   6           H        LYS   6   4.290  -5.430  -7.930
   31    HA   LYS   6           HA       LYS   6   5.748  -7.739  -7.148
   32   1HB   LYS   6          2HB       LYS   6   6.134  -5.808  -9.452
   33   2HB   LYS   6          3HB       LYS   6   7.020  -7.339  -9.273
   34   1HG   LYS   6          2HG       LYS   6   4.869  -8.580  -9.180
   35   2HG   LYS   6          3HG       LYS   6   3.980  -7.072  -9.459
   36   1HD   LYS   6          2HD       LYS   6   6.021  -8.261 -11.369
   37   2HD   LYS   6          3HD       LYS   6   4.270  -8.480 -11.470
   38   1HE   LYS   6          2HE       LYS   6   3.987  -5.996 -11.654
   39   2HE   LYS   6          3HE       LYS   6   5.741  -5.807 -11.626
   40   1HZ   LYS   6          1HZ       LYS   6   4.901  -5.818 -13.899
   41   2HZ   LYS   6          2HZ       LYS   6   5.849  -7.127 -13.679
   42   3HZ   LYS   6          3HZ       LYS   6   4.223  -7.289 -13.708
   43    H    GLY   7           H        GLY   7   6.977  -7.725  -5.523
   44   1HA   GLY   7          2HA       GLY   7   8.820  -7.498  -4.172
   45   2HA   GLY   7          3HA       GLY   7   9.625  -6.589  -5.463
   46    H    ARG   8           H        ARG   8   6.536  -5.512  -3.987
   47    HA   ARG   8           HA       ARG   8   8.008  -3.212  -2.711
   48   1HB   ARG   8          2HB       ARG   8   5.752  -3.105  -4.748
   49   2HB   ARG   8          3HB       ARG   8   6.206  -1.751  -3.713
   50   1HG   ARG   8          2HG       ARG   8   8.586  -1.960  -4.599
   51   2HG   ARG   8          3HG       ARG   8   7.963  -3.130  -5.769
   52   1HD   ARG   8          2HD       ARG   8   8.091  -0.990  -6.820
   53   2HD   ARG   8          3HD       ARG   8   6.373  -1.400  -6.613
   54    HE   ARG   8           HE       ARG   8   7.115   0.069  -4.315
   55   1HH1  ARG   8          1HH1      ARG   8   7.076   0.901  -7.742
   56   2HH1  ARG   8          2HH1      ARG   8   6.551   2.532  -7.359
   57   1HH2  ARG   8          1HH2      ARG   8   6.351   2.010  -3.997
   58   2HH2  ARG   8          2HH2      ARG   8   6.069   3.105  -5.367
   59    H    CYS   9           H        CYS   9   4.802  -4.910  -2.691
   60    HA   CYS   9           HA       CYS   9   3.489  -3.412  -0.944
   61   1HB   CYS   9          2HB       CYS   9   3.660  -6.421  -1.163
   62   2HB   CYS   9          3HB       CYS   9   2.392  -5.577  -0.235
   63    H    THR  10           H        THR  10   3.156  -2.963   1.027
   64    HA   THR  10           HA       THR  10   3.443  -2.489   3.195
   65    HB   THR  10           HB       THR  10   5.418  -4.723   3.674
   66    HG1  THR  10           1HG      THR  10   3.676  -6.073   3.966
   67   1HG2  THR  10          1HG2      THR  10   4.901  -3.258   5.628
   68   2HG2  THR  10          2HG2      THR  10   3.166  -3.510   5.355
   69   3HG2  THR  10          3HG2      THR  10   4.209  -4.862   5.847
   70    H    GLU  11           H        GLU  11   5.296  -1.607   0.934
   71    HA   GLU  11           HA       GLU  11   7.780  -0.775   2.039
   72   1HB   GLU  11          2HB       GLU  11   7.727   0.971   0.246
   73   2HB   GLU  11          3HB       GLU  11   7.533  -0.679  -0.298
   74   1HG   GLU  11          2HG       GLU  11   5.063  -0.312  -0.545
   75   2HG   GLU  11          3HG       GLU  11   5.268   1.338   0.066
   76    H    GLY  12           H        GLY  12   4.599   0.594   2.559
   77   1HA   GLY  12          2HA       GLY  12   4.448   1.956   4.665
   78   2HA   GLY  12          3HA       GLY  12   5.763   2.950   4.027
   79    H    PHE  13           H        PHE  13   3.236   3.938   4.814
   80    HA   PHE  13           HA       PHE  13   1.509   4.262   2.494
   81   1HB   PHE  13          2HB       PHE  13   0.421   4.035   4.553
   82   2HB   PHE  13          3HB       PHE  13   1.475   5.206   5.357
   83    HD1  PHE  13           1HD      PHE  13   0.732   7.400   5.659
   84    HD2  PHE  13           2HD      PHE  13  -1.108   4.976   2.583
   85    HE1  PHE  13           1HE      PHE  13  -0.960   9.168   5.272
   86    HE2  PHE  13           2HE      PHE  13  -2.842   6.704   2.278
   87    HZ   PHE  13           HZ       PHE  13  -2.746   8.823   3.585
   88    H    ASN  14           H        ASN  14   1.342   5.777   1.111
   89    HA   ASN  14           HA       ASN  14   1.811   8.568   1.656
   90   1HB   ASN  14          2HB       ASN  14   4.120   7.970   1.058
   91   2HB   ASN  14          3HB       ASN  14   3.565   7.213  -0.441
   92   1HD2  ASN  14          2HD2      ASN  14   5.443   9.035  -0.849
   93   2HD2  ASN  14          1HD2      ASN  14   4.750  10.560  -1.404
   94    H    VAL  15           H        VAL  15  -0.245   9.042   1.115
   95    HA   VAL  15           HA       VAL  15  -1.729   7.618  -0.854
   96    HB   VAL  15           HB       VAL  15  -2.477   8.745   1.285
   97   1HG1  VAL  15          1HG1      VAL  15  -2.997  11.150  -0.447
   98   2HG1  VAL  15          2HG1      VAL  15  -3.468  10.884   1.251
   99   3HG1  VAL  15          3HG1      VAL  15  -1.756  11.030   0.832
  100   1HG2  VAL  15          1HG2      VAL  15  -3.938   7.482  -0.142
  101   2HG2  VAL  15          2HG2      VAL  15  -4.763   8.858   0.596
  102   3HG2  VAL  15          3HG2      VAL  15  -4.282   8.937  -1.115
  103    H    ASP  16           H        ASP  16   0.457  10.157  -1.410
  104    HA   ASP  16           HA       ASP  16  -0.851  11.300  -3.755
  105   1HB   ASP  16          2HB       ASP  16   0.796  12.482  -2.281
  106   2HB   ASP  16          3HB       ASP  16   2.053  11.396  -2.897
  107    H    LYS  17           H        LYS  17   1.067   8.435  -3.205
  108    HA   LYS  17           HA       LYS  17   2.187   8.176  -5.875
  109   1HB   LYS  17          2HB       LYS  17   1.741   5.985  -3.826
  110   2HB   LYS  17          3HB       LYS  17   2.863   5.993  -5.205
  111   1HG   LYS  17          2HG       LYS  17   4.117   7.875  -4.150
  112   2HG   LYS  17          3HG       LYS  17   3.118   7.647  -2.705
  113   1HD   LYS  17          2HD       LYS  17   5.110   5.696  -3.941
  114   2HD   LYS  17          3HD       LYS  17   5.166   6.467  -2.353
  115   1HE   LYS  17          2HE       LYS  17   4.417   4.418  -1.678
  116   2HE   LYS  17          3HE       LYS  17   2.852   5.181  -1.999
  117   1HZ   LYS  17          1HZ       LYS  17   2.534   3.417  -3.347
  118   2HZ   LYS  17          2HZ       LYS  17   3.563   4.054  -4.420
  119   3HZ   LYS  17          3HZ       LYS  17   4.115   2.966  -3.291
  120    H    LYS  18           H        LYS  18   1.819   5.969  -7.043
  121    HA   LYS  18           HA       LYS  18  -0.932   6.112  -8.094
  122   1HB   LYS  18          2HB       LYS  18   1.658   4.916  -9.030
  123   2HB   LYS  18          3HB       LYS  18   0.139   4.322  -9.714
  124   1HG   LYS  18          2HG       LYS  18   1.007   6.051 -11.140
  125   2HG   LYS  18          3HG       LYS  18  -0.465   6.645 -10.351
  126   1HD   LYS  18          2HD       LYS  18   0.963   7.909  -8.717
  127   2HD   LYS  18          3HD       LYS  18   2.406   7.269  -9.510
  128   1HE   LYS  18          2HE       LYS  18   2.082   9.495 -10.293
  129   2HE   LYS  18          3HE       LYS  18   1.739   8.395 -11.632
  130   1HZ   LYS  18          1HZ       LYS  18  -0.640   8.728 -11.196
  131   2HZ   LYS  18          2HZ       LYS  18  -0.317   9.717  -9.930
  132   3HZ   LYS  18          3HZ       LYS  18   0.077  10.168 -11.446
  133    H    CYS  19           H        CYS  19   0.907   3.838  -6.120
  134    HA   CYS  19           HA       CYS  19  -1.707   2.479  -5.583
  135   1HB   CYS  19          2HB       CYS  19  -0.836   0.385  -5.376
  136   2HB   CYS  19          3HB       CYS  19  -0.064   0.936  -6.855
  137    H    GLN  20           H        GLN  20  -2.171   2.130  -3.536
  138    HA   GLN  20           HA       GLN  20  -0.199   2.944  -1.433
  139   1HB   GLN  20          2HB       GLN  20  -3.224   2.999  -1.510
  140   2HB   GLN  20          3HB       GLN  20  -2.284   3.074  -0.014
  141   1HG   GLN  20          2HG       GLN  20  -2.816   5.299  -0.660
  142   2HG   GLN  20          3HG       GLN  20  -1.074   5.040  -0.715
  143   1HE2  GLN  20          2HE2      GLN  20  -0.256   6.385  -2.384
  144   2HE2  GLN  20          1HE2      GLN  20  -1.097   6.558  -3.924
  145    H    CYS  21           H        CYS  21   0.730   0.974  -2.275
  146    HA   CYS  21           HA       CYS  21  -0.310  -1.655  -1.595
  147   1HB   CYS  21          2HB       CYS  21   2.475  -0.600  -2.349
  148   2HB   CYS  21          3HB       CYS  21   2.011  -2.290  -2.259
  149    H    ASP  22           H        ASP  22  -0.688  -0.293   0.679
  150    HA   ASP  22           HA       ASP  22   1.421  -1.129   2.612
  151   1HB   ASP  22          2HB       ASP  22   1.528   1.122   3.536
  152   2HB   ASP  22          3HB       ASP  22   1.937   1.151   1.820
  153    H    GLU  23           H        GLU  23   0.741  -0.319   4.887
  154    HA   GLU  23           HA       GLU  23  -1.482  -1.953   5.631
  155   1HB   GLU  23          2HB       GLU  23   0.195  -0.100   7.366
  156   2HB   GLU  23          3HB       GLU  23  -0.732  -1.512   7.888
  157   1HG   GLU  23          2HG       GLU  23   0.766  -2.936   6.417
  158   2HG   GLU  23          3HG       GLU  23   1.770  -1.513   6.141
  159    H    LEU  24           H        LEU  24  -1.638   1.356   4.765
  160    HA   LEU  24           HA       LEU  24  -3.961   1.874   6.611
  161   1HB   LEU  24          2HB       LEU  24  -1.912   3.807   5.473
  162   2HB   LEU  24          3HB       LEU  24  -3.303   4.259   6.449
  163    HG   LEU  24           HG       LEU  24  -0.961   2.558   7.411
  164   1HD1  LEU  24          1HD1      LEU  24  -1.784   5.418   8.066
  165   2HD1  LEU  24          2HD1      LEU  24  -0.418   4.526   8.775
  166   3HD1  LEU  24          3HD1      LEU  24  -0.406   4.938   7.054
  167   1HD2  LEU  24          1HD2      LEU  24  -3.001   1.929   8.631
  168   2HD2  LEU  24          2HD2      LEU  24  -1.953   2.897   9.670
  169   3HD2  LEU  24          3HD2      LEU  24  -3.384   3.642   8.920
  170    H    CYS  25           H        CYS  25  -3.202   1.357   3.375
  171    HA   CYS  25           HA       CYS  25  -4.555   3.331   1.993
  172   1HB   CYS  25          2HB       CYS  25  -4.436   1.862   0.148
  173   2HB   CYS  25          3HB       CYS  25  -3.046   1.520   1.195
  174    H    SER  26           H        SER  26  -6.118   0.531   3.572
  175    HA   SER  26           HA       SER  26  -8.565   0.675   2.077
  176   1HB   SER  26          2HB       SER  26  -9.426  -0.870   3.767
  177   2HB   SER  26          3HB       SER  26  -7.830  -1.358   3.182
  178    HG   SER  26           HG       SER  26  -8.002  -1.471   5.487
  179    H    TYR  27           H        TYR  27  -7.511   2.235   5.047
  180    HA   TYR  27           HA       TYR  27  -9.995   3.501   5.787
  181   1HB   TYR  27          2HB       TYR  27  -8.414   3.306   7.466
  182   2HB   TYR  27          3HB       TYR  27  -7.078   3.761   6.441
  183    HD1  TYR  27           1HD      TYR  27  -6.141   5.857   6.558
  184    HD2  TYR  27           2HD      TYR  27 -10.139   5.246   8.056
  185    HE1  TYR  27           1HE      TYR  27  -6.160   8.186   7.435
  186    HE2  TYR  27           2HE      TYR  27 -10.154   7.570   8.959
  187    HH   TYR  27           HH       TYR  27  -8.993   9.530   9.197
  188    H    TYR  28           H        TYR  28  -7.694   4.194   3.250
  189    HA   TYR  28           HA       TYR  28  -9.057   6.776   2.595
  190   1HB   TYR  28          2HB       TYR  28  -6.390   5.569   1.808
  191   2HB   TYR  28          3HB       TYR  28  -7.071   6.983   1.006
  192    HD1  TYR  28           1HD      TYR  28  -5.232   5.806   3.903
  193    HD2  TYR  28           2HD      TYR  28  -7.516   9.093   2.295
  194    HE1  TYR  28           1HE      TYR  28  -4.204   7.335   5.572
  195    HE2  TYR  28           2HE      TYR  28  -6.481  10.627   3.968
  196    HH   TYR  28           HH       TYR  28  -4.058   9.491   6.353
  197    H    GLN  29           H        GLN  29  -9.346   3.552   1.809
  198    HA   GLN  29           HA       GLN  29  -9.937   2.281   0.056
  199   1HB   GLN  29          2HB       GLN  29 -11.621   4.672  -0.787
  200   2HB   GLN  29          3HB       GLN  29 -11.831   2.995  -1.279
  201   1HG   GLN  29          2HG       GLN  29 -13.454   3.255   0.353
  202   2HG   GLN  29          3HG       GLN  29 -12.151   2.419   1.204
  203   1HE2  GLN  29          2HE2      GLN  29 -11.589   3.335   3.192
  204   2HE2  GLN  29          1HE2      GLN  29 -11.956   5.005   3.641
  205    H    SER  30           H        SER  30  -7.459   3.551  -0.299
  206    HA   SER  30           HA       SER  30  -7.296   4.369  -3.160
  207   1HB   SER  30          2HB       SER  30  -5.191   5.445  -2.396
  208   2HB   SER  30          3HB       SER  30  -6.617   5.981  -1.480
  209    HG   SER  30           HG       SER  30  -4.961   5.478  -0.040
  210    H    CYS  31           H        CYS  31  -6.749   1.573  -1.479
  211    HA   CYS  31           HA       CYS  31  -4.189   0.712  -1.871
  212   1HB   CYS  31          2HB       CYS  31  -6.672  -1.007  -2.164
  213   2HB   CYS  31          3HB       CYS  31  -5.062  -1.502  -1.624
  214    H    CYS  32           H        CYS  32  -3.129  -0.770  -3.242
  215    HA   CYS  32           HA       CYS  32  -3.140  -0.592  -6.008
  216   1HB   CYS  32          2HB       CYS  32  -2.401  -3.200  -5.713
  217   2HB   CYS  32          3HB       CYS  32  -1.339  -1.826  -5.444
  218    H    THR  33           H        THR  33  -3.993  -1.705  -7.763
  219    HA   THR  33           HA       THR  33  -6.705  -2.120  -7.811
  220    HB   THR  33           HB       THR  33  -4.840  -3.451  -9.796
  221    HG1  THR  33           1HG      THR  33  -4.628  -1.421 -10.749
  222   1HG2  THR  33          1HG2      THR  33  -7.248  -3.673 -10.300
  223   2HG2  THR  33          2HG2      THR  33  -7.467  -1.919 -10.109
  224   3HG2  THR  33          3HG2      THR  33  -6.488  -2.565 -11.446
  225    H    ASP  34           H        ASP  34  -4.347  -4.552  -7.010
  226    HA   ASP  34           HA       ASP  34  -6.488  -6.619  -6.687
  227   1HB   ASP  34          2HB       ASP  34  -3.638  -6.990  -7.682
  228   2HB   ASP  34          3HB       ASP  34  -4.746  -8.307  -7.268
  229    H    TYR  35           H        TYR  35  -5.432  -4.617  -4.763
  230    HA   TYR  35           HA       TYR  35  -3.503  -5.381  -3.024
  231   1HB   TYR  35          2HB       TYR  35  -4.617  -3.293  -2.771
  232   2HB   TYR  35          3HB       TYR  35  -6.176  -4.064  -2.514
  233    HD1  TYR  35           1HD      TYR  35  -2.917  -3.175  -0.862
  234    HD2  TYR  35           2HD      TYR  35  -6.895  -4.806  -0.378
  235    HE1  TYR  35           1HE      TYR  35  -2.712  -2.996   1.599
  236    HE2  TYR  35           2HE      TYR  35  -6.695  -4.559   2.081
  237    HH   TYR  35           HH       TYR  35  -5.411  -3.810   3.808
  238    H    THR  36           H        THR  36  -6.903  -6.598  -2.648
  239    HA   THR  36           HA       THR  36  -6.271  -8.151  -0.324
  240    HB   THR  36           HB       THR  36  -8.470  -9.350  -0.901
  241    HG1  THR  36           1HG      THR  36  -9.736  -8.229  -2.400
  242   1HG2  THR  36          1HG2      THR  36  -8.547  -6.324  -0.606
  243   2HG2  THR  36          2HG2      THR  36  -9.755  -7.501  -0.047
  244   3HG2  THR  36          3HG2      THR  36  -8.152  -7.451   0.713
  245    H    ALA  37           H        ALA  37  -5.546  -8.867  -3.600
  246    HA   ALA  37           HA       ALA  37  -5.245 -11.781  -3.000
  247   1HB   ALA  37          1HB       ALA  37  -5.386 -10.298  -5.655
  248   2HB   ALA  37          2HB       ALA  37  -5.265 -12.056  -5.436
  249   3HB   ALA  37          3HB       ALA  37  -6.717 -11.196  -4.888
  250    H    GLU  38           H        GLU  38  -3.417  -8.873  -3.812
  251    HA   GLU  38           HA       GLU  38  -0.889 -10.499  -3.960
  252   1HB   GLU  38          2HB       GLU  38  -1.483  -7.778  -5.175
  253   2HB   GLU  38          3HB       GLU  38   0.031  -8.698  -5.292
  254   1HG   GLU  38          2HG       GLU  38  -1.304 -10.555  -6.398
  255   2HG   GLU  38          3HG       GLU  38  -2.661  -9.431  -6.500
  256    H    CYS  39           H        CYS  39  -2.083  -7.286  -2.781
  257    HA   CYS  39           HA       CYS  39   0.513  -6.860  -1.493
  258   1HB   CYS  39          2HB       CYS  39  -1.830  -5.019  -1.312
  259   2HB   CYS  39          3HB       CYS  39  -0.150  -4.597  -1.254
  260    H    LYS  40           H        LYS  40  -2.614  -7.807  -0.449
  261    HA   LYS  40           HA       LYS  40  -3.270  -6.829   1.846
  262   1HB   LYS  40          2HB       LYS  40  -4.411  -8.606   0.689
  263   2HB   LYS  40          3HB       LYS  40  -3.297  -9.797   1.341
  264   1HG   LYS  40          2HG       LYS  40  -4.081  -9.324   3.630
  265   2HG   LYS  40          3HG       LYS  40  -5.046  -7.964   3.031
  266   1HD   LYS  40          2HD       LYS  40  -6.545  -9.715   3.462
  267   2HD   LYS  40          3HD       LYS  40  -6.451  -9.593   1.716
  268   1HE   LYS  40          2HE       LYS  40  -4.895 -11.640   3.377
  269   2HE   LYS  40          3HE       LYS  40  -6.524 -11.922   2.768
  270   1HZ   LYS  40          1HZ       LYS  40  -5.011 -12.869   1.225
  271   2HZ   LYS  40          2HZ       LYS  40  -5.627 -11.546   0.484
  272   3HZ   LYS  40          3HZ       LYS  40  -4.111 -11.519   1.102
  273    HA   PRO  41           HA       PRO  41   0.061  -7.703   4.917
  274   1HB   PRO  41          2HB       PRO  41  -0.051  -5.356   6.237
  275   2HB   PRO  41          3HB       PRO  41   0.675  -5.440   4.606
  276   1HG   PRO  41          2HG       PRO  41  -2.127  -4.548   5.350
  277   2HG   PRO  41          3HG       PRO  41  -0.947  -3.742   4.263
  278   1HD   PRO  41          2HD       PRO  41  -2.970  -5.467   3.428
  279   2HD   PRO  41          3HD       PRO  41  -1.476  -5.153   2.504
  280    H    GLN  42           H        GLN  42  -0.438  -7.053   7.526
  281    HA   GLN  42           HA       GLN  42  -2.777  -8.542   8.333
  282   1HB   GLN  42          2HB       GLN  42  -0.763  -8.297   9.732
  283   2HB   GLN  42          3HB       GLN  42  -1.090  -6.559   9.924
  284   1HG   GLN  42          2HG       GLN  42  -3.204  -7.053  11.072
  285   2HG   GLN  42          3HG       GLN  42  -3.008  -8.782  10.776
  286   1HE2  GLN  42          2HE2      GLN  42  -3.491  -7.951  13.316
  287   2HE2  GLN  42          1HE2      GLN  42  -2.021  -8.112  14.291
  288    H    VAL  43           H        VAL  43  -4.817  -7.890   8.772
  289    HA   VAL  43           HA       VAL  43  -5.602  -5.024   8.475
  290    HB   VAL  43           HB       VAL  43  -7.594  -5.811   7.155
  291   1HG1  VAL  43          1HG1      VAL  43  -4.897  -6.243   5.840
  292   2HG1  VAL  43          2HG1      VAL  43  -6.432  -5.872   5.035
  293   3HG1  VAL  43          3HG1      VAL  43  -5.687  -4.680   6.116
  294   1HG2  VAL  43          1HG2      VAL  43  -7.511  -7.917   5.962
  295   2HG2  VAL  43          2HG2      VAL  43  -5.963  -8.353   6.707
  296   3HG2  VAL  43          3HG2      VAL  43  -7.441  -8.261   7.696
  297    H    THR  44           H        THR  44  -5.193  -6.212  10.886
  298    HA   THR  44           HA       THR  44  -7.916  -6.167  12.102
  299    HB   THR  44           HB       THR  44  -7.173  -7.847  13.765
  300    HG1  THR  44           1HG      THR  44  -5.401  -9.163  13.161
  301   1HG2  THR  44          1HG2      THR  44  -7.460  -9.823  12.392
  302   2HG2  THR  44          2HG2      THR  44  -8.521  -8.541  11.785
  303   3HG2  THR  44          3HG2      THR  44  -7.016  -8.930  10.922
  304    H    ARG  45           H        ARG  45  -7.912  -5.592  14.376
  305    HA   ARG  45           HA       ARG  45  -5.642  -4.101  15.488
  306   1HB   ARG  45          2HB       ARG  45  -6.891  -1.930  15.570
  307   2HB   ARG  45          3HB       ARG  45  -6.385  -2.433  13.982
  308   1HG   ARG  45          2HG       ARG  45  -8.542  -1.427  13.824
  309   2HG   ARG  45          3HG       ARG  45  -8.665  -3.129  13.394
  310   1HD   ARG  45          2HD       ARG  45 -10.608  -2.450  14.670
  311   2HD   ARG  45          3HD       ARG  45  -9.696  -3.624  15.585
  312    HE   ARG  45           HE       ARG  45  -9.247  -2.018  17.227
  313   1HH1  ARG  45          1HH2      ARG  45 -10.670  -0.319  14.504
  314   2HH1  ARG  45          2HH2      ARG  45 -10.923   1.124  15.447
  315   1HH2  ARG  45          1HH1      ARG  45  -9.574  -0.199  18.332
  316   2HH2  ARG  45          2HH1      ARG  45 -10.307   1.197  17.571
  317    H    GLY  46           H        GLY  46  -6.413  -2.855  17.488
  318   1HA   GLY  46          2HA       GLY  46  -8.783  -3.949  18.879
  319   2HA   GLY  46          3HA       GLY  46  -7.223  -4.281  19.644
  320    H    ASP  47           H        ASP  47  -5.930  -2.481  20.349
  321    HA   ASP  47           HA       ASP  47  -7.200   0.216  20.412
  322   1HB   ASP  47          2HB       ASP  47  -7.725  -1.155  22.472
  323   2HB   ASP  47          3HB       ASP  47  -5.998  -1.222  22.810
  324    H    VAL  48           H        VAL  48  -4.858  -1.138  19.025
  325    HA   VAL  48           HA       VAL  48  -2.914   1.023  19.226
  326    HB   VAL  48           HB       VAL  48  -2.214  -0.464  21.066
  327   1HG1  VAL  48          1HG1      VAL  48  -1.717  -2.611  18.963
  328   2HG1  VAL  48          2HG1      VAL  48  -1.277  -2.678  20.680
  329   3HG1  VAL  48          3HG1      VAL  48  -2.980  -2.653  20.213
  330   1HG2  VAL  48          1HG2      VAL  48   0.109  -0.617  20.554
  331   2HG2  VAL  48          2HG2      VAL  48  -0.191  -0.620  18.813
  332   3HG2  VAL  48          3HG2      VAL  48  -0.525   0.842  19.781
  333    H    PHE  49           H        PHE  49  -1.521   1.091  17.420
  334    HA   PHE  49           HA       PHE  49  -2.216  -0.708  15.122
  335   1HB   PHE  49          2HB       PHE  49  -2.102   2.328  15.223
  336   2HB   PHE  49          3HB       PHE  49  -2.216   1.386  13.737
  337    HD1  PHE  49           1HD      PHE  49  -4.253   0.213  13.092
  338    HD2  PHE  49           2HD      PHE  49  -4.066   2.500  16.744
  339    HE1  PHE  49           1HE      PHE  49  -6.730   0.178  13.242
  340    HE2  PHE  49           2HE      PHE  49  -6.545   2.433  16.911
  341    HZ   PHE  49           HZ       PHE  49  -7.878   1.279  15.155
  342    H    THR  50           H        THR  50   0.403   0.510  16.934
  343    HA   THR  50           HA       THR  50   2.391   0.691  14.826
  344    HB   THR  50           HB       THR  50   3.998   0.435  16.764
  345    HG1  THR  50           1HG      THR  50   3.088   0.521  18.819
  346   1HG2  THR  50          1HG2      THR  50   3.215   2.664  15.999
  347   2HG2  THR  50          2HG2      THR  50   1.839   2.566  17.120
  348   3HG2  THR  50          3HG2      THR  50   3.502   2.622  17.746
  349    H    MET  51           H        MET  51   1.004  -1.923  16.629
  350    HA   MET  51           HA       MET  51   1.417  -4.180  16.812
  351   1HB   MET  51          2HB       MET  51   1.353  -3.731  13.810
  352   2HB   MET  51          3HB       MET  51   1.088  -5.284  14.615
  353   1HG   MET  51          2HG       MET  51  -0.830  -4.347  15.843
  354   2HG   MET  51          3HG       MET  51  -0.623  -2.798  15.011
  355   1HE   MET  51          1HE       MET  51  -0.072  -3.468  11.977
  356   2HE   MET  51          2HE       MET  51  -1.740  -3.510  11.371
  357   3HE   MET  51          3HE       MET  51  -1.264  -2.288  12.570
  Start of MODEL   14
    1   1H    ASP   1          1H        ASP   1  -8.021   5.967  -8.796
    2   2H    ASP   1          2H        ASP   1  -8.737   5.967 -10.275
    3   3H    ASP   1          3H        ASP   1  -8.674   4.579  -9.375
    4    HA   ASP   1           HA       ASP   1  -7.079   4.450 -11.134
    5   1HB   ASP   1          2HB       ASP   1  -5.994   7.023  -9.913
    6   2HB   ASP   1          3HB       ASP   1  -5.124   6.014 -11.081
    7    H    GLN   2           H        GLN   2  -5.682   2.861 -10.716
    8    HA   GLN   2           HA       GLN   2  -4.341   2.631  -8.071
    9   1HB   GLN   2          2HB       GLN   2  -5.955   0.379  -9.348
   10   2HB   GLN   2          3HB       GLN   2  -5.011   0.313  -7.870
   11   1HG   GLN   2          2HG       GLN   2  -7.073   0.495  -6.959
   12   2HG   GLN   2          3HG       GLN   2  -6.649   2.199  -7.026
   13   1HE2  GLN   2          2HE2      GLN   2  -8.527  -0.405  -8.668
   14   2HE2  GLN   2          1HE2      GLN   2  -9.654   0.712  -9.438
   15    H    GLU   3           H        GLU   3  -2.792   0.664  -8.148
   16    HA   GLU   3           HA       GLU   3  -1.760  -0.033 -10.806
   17   1HB   GLU   3          2HB       GLU   3  -0.716   2.181 -10.081
   18   2HB   GLU   3          3HB       GLU   3   0.099   1.289  -8.785
   19   1HG   GLU   3          2HG       GLU   3   1.314  -0.040 -10.446
   20   2HG   GLU   3          3HG       GLU   3   0.340   0.634 -11.755
   21    H    SER   4           H        SER   4  -0.144  -1.768 -10.718
   22    HA   SER   4           HA       SER   4  -0.829  -3.804  -8.771
   23   1HB   SER   4          2HB       SER   4  -0.351  -4.160 -11.222
   24   2HB   SER   4          3HB       SER   4   1.374  -3.898 -10.860
   25    HG   SER   4           HG       SER   4   0.606  -6.141 -10.816
   26    H    CYS   5           H        CYS   5   0.936  -5.164  -7.765
   27    HA   CYS   5           HA       CYS   5   2.753  -3.365  -6.205
   28   1HB   CYS   5          2HB       CYS   5   0.586  -4.200  -5.320
   29   2HB   CYS   5          3HB       CYS   5   1.271  -5.834  -5.267
   30    H    LYS   6           H        LYS   6   3.472  -5.365  -8.544
   31    HA   LYS   6           HA       LYS   6   4.797  -7.580  -7.316
   32   1HB   LYS   6          2HB       LYS   6   5.414  -6.458 -10.063
   33   2HB   LYS   6          3HB       LYS   6   5.662  -8.107  -9.489
   34   1HG   LYS   6          2HG       LYS   6   3.045  -6.695 -10.114
   35   2HG   LYS   6          3HG       LYS   6   3.779  -8.042 -10.977
   36   1HD   LYS   6          2HD       LYS   6   2.505  -8.150  -8.221
   37   2HD   LYS   6          3HD       LYS   6   1.858  -8.786  -9.733
   38   1HE   LYS   6          2HE       LYS   6   3.978 -10.262  -9.848
   39   2HE   LYS   6          3HE       LYS   6   4.267  -9.784  -8.169
   40   1HZ   LYS   6          1HZ       LYS   6   1.917 -10.632  -7.733
   41   2HZ   LYS   6          2HZ       LYS   6   1.929 -11.270  -9.223
   42   3HZ   LYS   6          3HZ       LYS   6   3.012 -11.799  -8.124
   43    H    GLY   7           H        GLY   7   6.154  -7.031  -5.744
   44   1HA   GLY   7          2HA       GLY   7   8.416  -6.914  -5.038
   45   2HA   GLY   7          3HA       GLY   7   8.829  -5.917  -6.439
   46    H    ARG   8           H        ARG   8   5.949  -4.935  -4.661
   47    HA   ARG   8           HA       ARG   8   7.515  -2.665  -3.429
   48   1HB   ARG   8          2HB       ARG   8   4.819  -2.476  -4.829
   49   2HB   ARG   8          3HB       ARG   8   5.758  -1.157  -4.123
   50   1HG   ARG   8          2HG       ARG   8   7.646  -1.872  -5.756
   51   2HG   ARG   8          3HG       ARG   8   6.380  -2.768  -6.609
   52   1HD   ARG   8          2HD       ARG   8   6.423   0.225  -6.024
   53   2HD   ARG   8          3HD       ARG   8   6.793  -0.571  -7.569
   54    HE   ARG   8           HE       ARG   8   4.154  -1.307  -6.733
   55   1HH1  ARG   8          2HH2      ARG   8   5.796   1.525  -8.104
   56   2HH1  ARG   8          1HH2      ARG   8   4.291   2.025  -8.878
   57   1HH2  ARG   8          1HH1      ARG   8   2.393  -0.519  -7.870
   58   2HH2  ARG   8          2HH1      ARG   8   2.568   1.040  -8.687
   59    H    CYS   9           H        CYS   9   4.811  -4.825  -2.921
   60    HA   CYS   9           HA       CYS   9   3.299  -3.552  -1.140
   61   1HB   CYS   9          2HB       CYS   9   4.026  -6.460  -0.744
   62   2HB   CYS   9          3HB       CYS   9   2.478  -5.659  -0.443
   63    H    THR  10           H        THR  10   3.031  -3.110   0.913
   64    HA   THR  10           HA       THR  10   3.369  -2.633   3.071
   65    HB   THR  10           HB       THR  10   5.521  -4.705   3.448
   66    HG1  THR  10           1HG      THR  10   4.005  -6.289   3.512
   67   1HG2  THR  10          1HG2      THR  10   3.074  -3.867   5.083
   68   2HG2  THR  10          2HG2      THR  10   4.238  -5.129   5.546
   69   3HG2  THR  10          3HG2      THR  10   4.755  -3.445   5.448
   70    H    GLU  11           H        GLU  11   5.041  -1.350   0.974
   71    HA   GLU  11           HA       GLU  11   7.632  -0.722   2.053
   72   1HB   GLU  11          2HB       GLU  11   7.600   1.110   0.403
   73   2HB   GLU  11          3HB       GLU  11   7.271  -0.462  -0.298
   74   1HG   GLU  11          2HG       GLU  11   4.908   0.068  -0.568
   75   2HG   GLU  11          3HG       GLU  11   5.064   1.500   0.455
   76    H    GLY  12           H        GLY  12   4.583   0.442   3.084
   77   1HA   GLY  12          2HA       GLY  12   4.411   2.011   4.953
   78   2HA   GLY  12          3HA       GLY  12   5.721   2.969   4.253
   79    H    PHE  13           H        PHE  13   3.506   4.325   4.866
   80    HA   PHE  13           HA       PHE  13   1.690   4.463   2.512
   81   1HB   PHE  13          2HB       PHE  13   0.490   4.202   4.467
   82   2HB   PHE  13          3HB       PHE  13   1.554   5.258   5.408
   83    HD1  PHE  13           1HD      PHE  13  -1.105   5.241   2.761
   84    HD2  PHE  13           2HD      PHE  13   1.099   7.571   5.653
   85    HE1  PHE  13           1HE      PHE  13  -2.723   7.102   2.509
   86    HE2  PHE  13           2HE      PHE  13  -0.516   9.435   5.384
   87    HZ   PHE  13           HZ       PHE  13  -2.430   9.197   3.824
   88    H    ASN  14           H        ASN  14   1.564   6.087   1.165
   89    HA   ASN  14           HA       ASN  14   2.301   8.811   1.791
   90   1HB   ASN  14          2HB       ASN  14   4.543   7.927   1.190
   91   2HB   ASN  14          3HB       ASN  14   3.914   7.358  -0.364
   92   1HD2  ASN  14          2HD2      ASN  14   6.077   9.032  -0.393
   93   2HD2  ASN  14          1HD2      ASN  14   5.572  10.628  -0.946
   94    H    VAL  15           H        VAL  15   0.162   9.195   1.366
   95    HA   VAL  15           HA       VAL  15  -1.433   8.005  -0.534
   96    HB   VAL  15           HB       VAL  15  -2.033   9.256   1.519
   97   1HG1  VAL  15          1HG1      VAL  15  -2.215  11.688  -0.254
   98   2HG1  VAL  15          2HG1      VAL  15  -2.734  11.524   1.443
   99   3HG1  VAL  15          3HG1      VAL  15  -1.015  11.418   1.039
  100   1HG2  VAL  15          1HG2      VAL  15  -3.671   8.202   0.079
  101   2HG2  VAL  15          2HG2      VAL  15  -4.289   9.661   0.861
  102   3HG2  VAL  15          3HG2      VAL  15  -3.833   9.713  -0.855
  103    H    ASP  16           H        ASP  16   0.867  10.397  -1.364
  104    HA   ASP  16           HA       ASP  16  -0.395  11.390  -3.780
  105   1HB   ASP  16          2HB       ASP  16   1.436  12.523  -2.524
  106   2HB   ASP  16          3HB       ASP  16   2.534  11.221  -3.013
  107    H    LYS  17           H        LYS  17   1.335   8.400  -3.031
  108    HA   LYS  17           HA       LYS  17   2.261   7.840  -5.710
  109   1HB   LYS  17          2HB       LYS  17   1.877   6.013  -3.294
  110   2HB   LYS  17          3HB       LYS  17   2.599   5.507  -4.830
  111   1HG   LYS  17          2HG       LYS  17   4.277   7.415  -4.555
  112   2HG   LYS  17          3HG       LYS  17   3.680   7.584  -2.888
  113   1HD   LYS  17          2HD       LYS  17   4.271   5.187  -2.467
  114   2HD   LYS  17          3HD       LYS  17   4.855   5.058  -4.145
  115   1HE   LYS  17          2HE       LYS  17   6.453   6.979  -3.619
  116   2HE   LYS  17          3HE       LYS  17   5.979   6.803  -1.918
  117   1HZ   LYS  17          1HZ       LYS  17   7.958   5.504  -2.336
  118   2HZ   LYS  17          2HZ       LYS  17   6.735   4.439  -2.090
  119   3HZ   LYS  17          3HZ       LYS  17   7.275   4.724  -3.598
  120    H    LYS  18           H        LYS  18   1.679   6.228  -7.134
  121    HA   LYS  18           HA       LYS  18  -1.056   6.230  -7.958
  122   1HB   LYS  18          2HB       LYS  18   1.465   4.865  -8.904
  123   2HB   LYS  18          3HB       LYS  18  -0.092   4.351  -9.554
  124   1HG   LYS  18          2HG       LYS  18   0.813   5.942 -11.058
  125   2HG   LYS  18          3HG       LYS  18  -0.580   6.682 -10.251
  126   1HD   LYS  18          2HD       LYS  18   0.985   7.903  -8.737
  127   2HD   LYS  18          3HD       LYS  18   2.363   7.168  -9.587
  128   1HE   LYS  18          2HE       LYS  18   1.593   8.211 -11.710
  129   2HE   LYS  18          3HE       LYS  18   0.224   8.938 -10.860
  130   1HZ   LYS  18          1HZ       LYS  18   3.084   9.521 -10.292
  131   2HZ   LYS  18          2HZ       LYS  18   2.057  10.511 -11.080
  132   3HZ   LYS  18          3HZ       LYS  18   1.818  10.189  -9.500
  133    H    CYS  19           H        CYS  19   0.494   4.082  -5.776
  134    HA   CYS  19           HA       CYS  19  -2.112   2.772  -5.348
  135   1HB   CYS  19          2HB       CYS  19  -1.206   0.594  -4.983
  136   2HB   CYS  19          3HB       CYS  19  -0.760   1.052  -6.619
  137    H    GLN  20           H        GLN  20  -2.520   2.420  -3.215
  138    HA   GLN  20           HA       GLN  20  -0.365   3.055  -1.229
  139   1HB   GLN  20          2HB       GLN  20  -3.368   2.805  -0.901
  140   2HB   GLN  20          3HB       GLN  20  -2.206   3.119   0.409
  141   1HG   GLN  20          2HG       GLN  20  -2.903   4.927  -1.930
  142   2HG   GLN  20          3HG       GLN  20  -3.100   5.253  -0.201
  143   1HE2  GLN  20          2HE2      GLN  20  -1.168   6.089  -2.837
  144   2HE2  GLN  20          1HE2      GLN  20   0.245   6.539  -1.878
  145    H    CYS  21           H        CYS  21   0.627   1.220  -2.173
  146    HA   CYS  21           HA       CYS  21  -0.373  -1.459  -1.793
  147   1HB   CYS  21          2HB       CYS  21   2.369  -0.290  -2.454
  148   2HB   CYS  21          3HB       CYS  21   1.979  -2.005  -2.398
  149    H    ASP  22           H        ASP  22  -0.732  -0.251   0.666
  150    HA   ASP  22           HA       ASP  22   1.144  -1.564   2.524
  151   1HB   ASP  22          2HB       ASP  22   2.135   0.656   1.823
  152   2HB   ASP  22          3HB       ASP  22   0.715   1.456   2.519
  153    H    GLU  23           H        GLU  23   0.520  -0.917   4.867
  154    HA   GLU  23           HA       GLU  23  -1.887  -2.175   5.424
  155   1HB   GLU  23          2HB       GLU  23  -0.433  -0.314   7.332
  156   2HB   GLU  23          3HB       GLU  23  -1.390  -1.747   7.716
  157   1HG   GLU  23          2HG       GLU  23   0.362  -3.105   6.441
  158   2HG   GLU  23          3HG       GLU  23   1.358  -1.651   6.387
  159    H    LEU  24           H        LEU  24  -1.420   1.353   5.226
  160    HA   LEU  24           HA       LEU  24  -3.956   1.919   6.605
  161   1HB   LEU  24          2HB       LEU  24  -1.896   3.732   5.294
  162   2HB   LEU  24          3HB       LEU  24  -3.287   4.286   6.219
  163    HG   LEU  24           HG       LEU  24  -0.967   2.644   7.322
  164   1HD1  LEU  24          1HD1      LEU  24  -1.823   5.528   7.808
  165   2HD1  LEU  24          2HD1      LEU  24  -0.459   4.688   8.583
  166   3HD1  LEU  24          3HD1      LEU  24  -0.430   5.003   6.844
  167   1HD2  LEU  24          1HD2      LEU  24  -2.000   3.130   9.551
  168   2HD2  LEU  24          2HD2      LEU  24  -3.439   3.763   8.719
  169   3HD2  LEU  24          3HD2      LEU  24  -2.986   2.049   8.568
  170    H    CYS  25           H        CYS  25  -3.397   1.057   3.386
  171    HA   CYS  25           HA       CYS  25  -4.816   3.055   1.991
  172   1HB   CYS  25          2HB       CYS  25  -4.761   1.631   0.179
  173   2HB   CYS  25          3HB       CYS  25  -3.368   1.135   1.160
  174    H    SER  26           H        SER  26  -6.172   0.338   3.801
  175    HA   SER  26           HA       SER  26  -8.801   0.391   2.672
  176   1HB   SER  26          2HB       SER  26  -7.676  -1.478   3.936
  177   2HB   SER  26          3HB       SER  26  -8.014  -0.594   5.437
  178    HG   SER  26           HG       SER  26 -10.270  -0.678   4.813
  179    H    TYR  27           H        TYR  27  -7.361   2.717   4.627
  180    HA   TYR  27           HA       TYR  27  -9.936   3.827   5.636
  181   1HB   TYR  27          2HB       TYR  27  -8.439   3.719   7.375
  182   2HB   TYR  27          3HB       TYR  27  -7.044   4.013   6.375
  183    HD1  TYR  27           1HD      TYR  27  -5.930   5.997   6.516
  184    HD2  TYR  27           2HD      TYR  27 -10.090   5.849   7.645
  185    HE1  TYR  27           1HE      TYR  27  -5.799   8.360   7.254
  186    HE2  TYR  27           2HE      TYR  27  -9.961   8.230   8.396
  187    HH   TYR  27           HH       TYR  27  -6.938  10.143   8.155
  188    H    TYR  28           H        TYR  28  -7.884   4.095   2.921
  189    HA   TYR  28           HA       TYR  28  -9.014   6.779   2.189
  190   1HB   TYR  28          2HB       TYR  28  -6.362   5.469   1.519
  191   2HB   TYR  28          3HB       TYR  28  -6.992   6.882   0.667
  192    HD1  TYR  28           1HD      TYR  28  -5.211   5.756   3.614
  193    HD2  TYR  28           2HD      TYR  28  -7.439   9.024   1.886
  194    HE1  TYR  28           1HE      TYR  28  -4.159   7.333   5.226
  195    HE2  TYR  28           2HE      TYR  28  -6.398  10.596   3.507
  196    HH   TYR  28           HH       TYR  28  -4.941  10.840   5.256
  197    H    GLN  29           H        GLN  29  -9.032   3.463   1.328
  198    HA   GLN  29           HA       GLN  29  -9.819   2.254  -0.367
  199   1HB   GLN  29          2HB       GLN  29 -11.446   4.568  -1.418
  200   2HB   GLN  29          3HB       GLN  29 -11.784   2.843  -1.489
  201   1HG   GLN  29          2HG       GLN  29 -12.039   4.738   0.854
  202   2HG   GLN  29          3HG       GLN  29 -13.296   3.753   0.104
  203   1HE2  GLN  29          2HE2      GLN  29 -12.083   3.997   2.973
  204   2HE2  GLN  29          1HE2      GLN  29 -11.667   2.331   3.390
  205    H    SER  30           H        SER  30  -7.357   3.628  -0.748
  206    HA   SER  30           HA       SER  30  -7.148   3.983  -3.706
  207   1HB   SER  30          2HB       SER  30  -5.258   5.518  -3.094
  208   2HB   SER  30          3HB       SER  30  -6.848   6.037  -2.496
  209    HG   SER  30           HG       SER  30  -5.268   6.187  -0.873
  210    H    CYS  31           H        CYS  31  -6.836   1.507  -2.032
  211    HA   CYS  31           HA       CYS  31  -4.200   0.547  -1.841
  212   1HB   CYS  31          2HB       CYS  31  -6.742  -0.984  -2.504
  213   2HB   CYS  31          3HB       CYS  31  -5.286  -1.603  -1.717
  214    H    CYS  32           H        CYS  32  -3.399  -1.452  -3.113
  215    HA   CYS  32           HA       CYS  32  -2.787  -1.072  -5.797
  216   1HB   CYS  32          2HB       CYS  32  -3.423  -3.811  -4.705
  217   2HB   CYS  32          3HB       CYS  32  -2.199  -3.367  -5.887
  218    H    THR  33           H        THR  33  -3.527  -2.179  -7.772
  219    HA   THR  33           HA       THR  33  -6.267  -2.156  -8.361
  220    HB   THR  33           HB       THR  33  -4.268  -3.975  -9.738
  221    HG1  THR  33           1HG      THR  33  -3.781  -2.112 -10.970
  222   1HG2  THR  33          1HG2      THR  33  -6.564  -4.094 -10.650
  223   2HG2  THR  33          2HG2      THR  33  -6.625  -2.320 -10.765
  224   3HG2  THR  33          3HG2      THR  33  -5.502  -3.252 -11.781
  225    H    ASP  34           H        ASP  34  -4.447  -4.796  -6.879
  226    HA   ASP  34           HA       ASP  34  -6.975  -6.275  -6.420
  227   1HB   ASP  34          2HB       ASP  34  -5.812  -7.104  -8.519
  228   2HB   ASP  34          3HB       ASP  34  -4.466  -7.620  -7.494
  229    H    TYR  35           H        TYR  35  -5.715  -4.690  -4.593
  230    HA   TYR  35           HA       TYR  35  -3.613  -5.432  -3.060
  231   1HB   TYR  35          2HB       TYR  35  -4.830  -3.378  -2.764
  232   2HB   TYR  35          3HB       TYR  35  -6.239  -4.239  -2.139
  233    HD1  TYR  35           1HD      TYR  35  -6.268  -5.117   0.175
  234    HD2  TYR  35           2HD      TYR  35  -2.883  -2.929  -1.361
  235    HE1  TYR  35           1HE      TYR  35  -5.494  -4.654   2.497
  236    HE2  TYR  35           2HE      TYR  35  -2.115  -2.485   0.945
  237    HH   TYR  35           HH       TYR  35  -2.712  -2.508   3.124
  238    H    THR  36           H        THR  36  -6.910  -6.761  -2.396
  239    HA   THR  36           HA       THR  36  -6.110  -8.152  -0.034
  240    HB   THR  36           HB       THR  36  -8.314  -9.443  -0.465
  241    HG1  THR  36           1HG      THR  36  -9.668  -8.395  -1.935
  242   1HG2  THR  36          1HG2      THR  36  -9.616  -7.524   0.306
  243   2HG2  THR  36          2HG2      THR  36  -8.031  -7.558   1.102
  244   3HG2  THR  36          3HG2      THR  36  -8.334  -6.405  -0.219
  245    H    ALA  37           H        ALA  37  -5.521  -9.059  -3.304
  246    HA   ALA  37           HA       ALA  37  -4.825 -11.816  -2.372
  247   1HB   ALA  37          1HB       ALA  37  -5.313 -12.583  -4.650
  248   2HB   ALA  37          2HB       ALA  37  -6.731 -11.797  -3.929
  249   3HB   ALA  37          3HB       ALA  37  -5.746 -10.928  -5.128
  250    H    GLU  38           H        GLU  38  -3.481  -8.905  -3.606
  251    HA   GLU  38           HA       GLU  38  -0.931 -10.325  -4.346
  252   1HB   GLU  38          2HB       GLU  38  -2.189  -7.734  -5.309
  253   2HB   GLU  38          3HB       GLU  38  -0.498  -8.132  -5.607
  254   1HG   GLU  38          2HG       GLU  38  -2.875  -9.808  -6.513
  255   2HG   GLU  38          3HG       GLU  38  -1.976  -8.675  -7.518
  256    H    CYS  39           H        CYS  39  -2.223  -7.705  -2.304
  257    HA   CYS  39           HA       CYS  39   0.576  -7.070  -1.474
  258   1HB   CYS  39          2HB       CYS  39  -1.604  -5.073  -1.181
  259   2HB   CYS  39          3HB       CYS  39   0.109  -4.841  -1.462
  260    H    LYS  40           H        LYS  40  -2.533  -7.954  -0.254
  261    HA   LYS  40           HA       LYS  40  -2.978  -6.897   2.090
  262   1HB   LYS  40          2HB       LYS  40  -4.283  -8.684   1.057
  263   2HB   LYS  40          3HB       LYS  40  -3.131  -9.882   1.594
  264   1HG   LYS  40          2HG       LYS  40  -4.969  -9.973   3.088
  265   2HG   LYS  40          3HG       LYS  40  -3.650  -9.212   3.991
  266   1HD   LYS  40          2HD       LYS  40  -4.668  -6.976   3.576
  267   2HD   LYS  40          3HD       LYS  40  -5.966  -7.757   2.638
  268   1HE   LYS  40          2HE       LYS  40  -6.641  -9.042   4.648
  269   2HE   LYS  40          3HE       LYS  40  -5.314  -8.327   5.572
  270   1HZ   LYS  40          1HZ       LYS  40  -7.595  -6.804   4.421
  271   2HZ   LYS  40          2HZ       LYS  40  -7.408  -7.178   5.996
  272   3HZ   LYS  40          3HZ       LYS  40  -6.366  -6.147   5.283
  273    HA   PRO  41           HA       PRO  41   1.025  -7.575   4.054
  274   1HB   PRO  41          2HB       PRO  41   0.993  -5.525   5.872
  275   2HB   PRO  41          3HB       PRO  41   1.227  -5.286   4.112
  276   1HG   PRO  41          2HG       PRO  41  -1.333  -4.978   5.691
  277   2HG   PRO  41          3HG       PRO  41  -0.631  -3.879   4.452
  278   1HD   PRO  41          2HD       PRO  41  -2.580  -5.690   3.872
  279   2HD   PRO  41          3HD       PRO  41  -1.306  -5.237   2.697
  280    H    GLN  42           H        GLN  42   1.847  -8.421   5.901
  281    HA   GLN  42           HA       GLN  42   1.699 -10.249   7.295
  282   1HB   GLN  42          2HB       GLN  42   1.752  -9.400   9.585
  283   2HB   GLN  42          3HB       GLN  42   2.708  -8.434   8.459
  284   1HG   GLN  42          2HG       GLN  42   1.108  -6.646   8.440
  285   2HG   GLN  42          3HG       GLN  42  -0.102  -7.597   9.296
  286   1HE2  GLN  42          2HE2      GLN  42   1.463  -4.952   9.946
  287   2HE2  GLN  42          1HE2      GLN  42   1.922  -5.278  11.628
  288    H    VAL  43           H        VAL  43  -0.582 -10.726   6.034
  289    HA   VAL  43           HA       VAL  43  -2.967 -10.744   7.518
  290    HB   VAL  43           HB       VAL  43  -2.812 -11.142   5.115
  291   1HG1  VAL  43          1HG1      VAL  43  -2.342 -13.308   4.149
  292   2HG1  VAL  43          2HG1      VAL  43  -0.915 -12.747   5.032
  293   3HG1  VAL  43          3HG1      VAL  43  -1.965 -13.996   5.738
  294   1HG2  VAL  43          1HG2      VAL  43  -4.284 -13.382   6.553
  295   2HG2  VAL  43          2HG2      VAL  43  -4.864 -11.709   6.364
  296   3HG2  VAL  43          3HG2      VAL  43  -4.631 -12.732   4.939
  297    H    THR  44           H        THR  44  -3.873 -11.972   9.061
  298    HA   THR  44           HA       THR  44  -2.710 -14.467  10.062
  299    HB   THR  44           HB       THR  44  -1.145 -12.742  10.897
  300    HG1  THR  44           1HG      THR  44  -1.126 -13.520  12.941
  301   1HG2  THR  44          1HG2      THR  44  -3.504 -11.684  12.509
  302   2HG2  THR  44          2HG2      THR  44  -1.800 -11.195  12.664
  303   3HG2  THR  44          3HG2      THR  44  -2.689 -10.830  11.183
  304    H    ARG  45           H        ARG  45  -3.763 -14.887  12.352
  305    HA   ARG  45           HA       ARG  45  -6.572 -15.261  11.826
  306   1HB   ARG  45          2HB       ARG  45  -6.641 -16.448  13.904
  307   2HB   ARG  45          3HB       ARG  45  -5.162 -16.880  13.055
  308   1HG   ARG  45          2HG       ARG  45  -3.849 -15.384  14.566
  309   2HG   ARG  45          3HG       ARG  45  -5.353 -14.916  15.385
  310   1HD   ARG  45          2HD       ARG  45  -5.703 -17.449  15.801
  311   2HD   ARG  45          3HD       ARG  45  -4.010 -17.646  15.360
  312    HE   ARG  45           HE       ARG  45  -5.154 -16.372  17.791
  313   1HH1  ARG  45          1HH2      ARG  45  -2.120 -16.946  16.107
  314   2HH1  ARG  45          2HH2      ARG  45  -1.204 -16.637  17.559
  315   1HH2  ARG  45          2HH1      ARG  45  -4.037 -15.969  19.446
  316   2HH2  ARG  45          1HH1      ARG  45  -2.276 -16.086  19.467
  317    H    GLY  46           H        GLY  46  -8.374 -14.684  13.121
  318   1HA   GLY  46          2HA       GLY  46  -8.550 -11.851  13.722
  319   2HA   GLY  46          3HA       GLY  46  -9.848 -13.039  13.808
  320    H    ASP  47           H        ASP  47  -6.770 -13.065  15.569
  321    HA   ASP  47           HA       ASP  47  -8.074 -12.633  18.205
  322   1HB   ASP  47          2HB       ASP  47  -8.347 -14.997  17.749
  323   2HB   ASP  47          3HB       ASP  47  -6.685 -15.152  17.229
  324    H    VAL  48           H        VAL  48  -5.885 -11.522  16.319
  325    HA   VAL  48           HA       VAL  48  -4.037 -10.584  18.409
  326    HB   VAL  48           HB       VAL  48  -2.024 -10.950  17.045
  327   1HG1  VAL  48          1HG1      VAL  48  -2.593 -12.576  18.817
  328   2HG1  VAL  48          2HG1      VAL  48  -3.410 -13.586  17.603
  329   3HG1  VAL  48          3HG1      VAL  48  -1.665 -13.290  17.486
  330   1HG2  VAL  48          1HG2      VAL  48  -3.731 -12.741  15.269
  331   2HG2  VAL  48          2HG2      VAL  48  -3.075 -11.156  14.808
  332   3HG2  VAL  48          3HG2      VAL  48  -1.979 -12.497  15.168
  333    H    PHE  49           H        PHE  49  -2.423  -8.925  17.130
  334    HA   PHE  49           HA       PHE  49  -4.006  -7.299  15.209
  335   1HB   PHE  49          2HB       PHE  49  -4.511  -6.562  17.540
  336   2HB   PHE  49          3HB       PHE  49  -2.791  -6.250  17.793
  337    HD1  PHE  49           1HD      PHE  49  -5.503  -5.402  15.285
  338    HD2  PHE  49           2HD      PHE  49  -2.151  -4.000  17.607
  339    HE1  PHE  49           1HE      PHE  49  -5.802  -3.121  14.346
  340    HE2  PHE  49           2HE      PHE  49  -2.442  -1.725  16.657
  341    HZ   PHE  49           HZ       PHE  49  -4.267  -1.283  15.024
  342    H    THR  50           H        THR  50  -2.707  -5.477  14.291
  343    HA   THR  50           HA       THR  50  -0.366  -6.611  13.050
  344    HB   THR  50           HB       THR  50  -0.422  -4.410  11.771
  345    HG1  THR  50           1HG      THR  50  -2.227  -3.127  12.114
  346   1HG2  THR  50          1HG2      THR  50  -3.072  -5.912  11.908
  347   2HG2  THR  50          2HG2      THR  50  -2.461  -4.937  10.554
  348   3HG2  THR  50          3HG2      THR  50  -1.642  -6.442  10.999
  349    H    MET  51           H        MET  51  -0.519  -4.923  15.911
  350    HA   MET  51           HA       MET  51   1.654  -3.127  15.903
  351   1HB   MET  51          2HB       MET  51   1.677  -3.408  18.323
  352   2HB   MET  51          3HB       MET  51   0.040  -3.233  17.701
  353   1HG   MET  51          2HG       MET  51  -0.139  -5.791  17.788
  354   2HG   MET  51          3HG       MET  51   1.390  -5.778  18.681
  355   1HE   MET  51          1HE       MET  51   1.089  -3.201  20.614
  356   2HE   MET  51          2HE       MET  51   0.420  -4.020  22.039
  357   3HE   MET  51          3HE       MET  51   1.704  -4.802  21.091
  Start of MODEL   15
    1   1H    ASP   1          1H        ASP   1   2.576  -6.354 -21.229
    2   2H    ASP   1          2H        ASP   1   3.515  -7.677 -21.458
    3   3H    ASP   1          3H        ASP   1   2.068  -7.819 -20.696
    4    HA   ASP   1           HA       ASP   1   3.902  -7.918 -19.127
    5   1HB   ASP   1          2HB       ASP   1   5.295  -5.998 -18.722
    6   2HB   ASP   1          3HB       ASP   1   5.430  -6.453 -20.423
    7    H    GLN   2           H        GLN   2   3.862  -6.740 -16.977
    8    HA   GLN   2           HA       GLN   2   1.386  -5.257 -16.369
    9   1HB   GLN   2          2HB       GLN   2   0.749  -7.680 -16.467
   10   2HB   GLN   2          3HB       GLN   2   1.995  -8.051 -15.285
   11   1HG   GLN   2          2HG       GLN   2  -0.242  -8.028 -14.288
   12   2HG   GLN   2          3HG       GLN   2   0.784  -6.813 -13.561
   13   1HE2  GLN   2          2HE2      GLN   2  -0.481  -4.990 -13.080
   14   2HE2  GLN   2          1HE2      GLN   2  -1.726  -4.370 -14.171
   15    H    GLU   3           H        GLU   3   1.375  -4.418 -14.201
   16    HA   GLU   3           HA       GLU   3   3.868  -4.712 -12.582
   17   1HB   GLU   3          2HB       GLU   3   3.770  -2.511 -13.777
   18   2HB   GLU   3          3HB       GLU   3   2.259  -2.148 -12.918
   19   1HG   GLU   3          2HG       GLU   3   3.452  -2.279 -10.755
   20   2HG   GLU   3          3HG       GLU   3   4.941  -2.744 -11.582
   21    H    SER   4           H        SER   4   3.562  -4.750 -10.334
   22    HA   SER   4           HA       SER   4   0.883  -4.856  -9.117
   23   1HB   SER   4          2HB       SER   4   0.956  -7.211  -8.600
   24   2HB   SER   4          3HB       SER   4   1.184  -7.057 -10.352
   25    HG   SER   4           HG       SER   4   2.703  -8.498  -9.494
   26    H    CYS   5           H        CYS   5   1.208  -5.947  -6.826
   27    HA   CYS   5           HA       CYS   5   3.005  -4.327  -5.325
   28   1HB   CYS   5          2HB       CYS   5   0.759  -5.310  -4.707
   29   2HB   CYS   5          3HB       CYS   5   1.585  -6.860  -4.437
   30    H    LYS   6           H        LYS   6   4.008  -6.984  -7.138
   31    HA   LYS   6           HA       LYS   6   5.346  -8.554  -5.162
   32   1HB   LYS   6          2HB       LYS   6   4.549  -9.293  -7.388
   33   2HB   LYS   6          3HB       LYS   6   5.888  -8.413  -8.155
   34   1HG   LYS   6          2HG       LYS   6   7.526  -9.866  -7.111
   35   2HG   LYS   6          3HG       LYS   6   6.314 -10.524  -5.990
   36   1HD   LYS   6          2HD       LYS   6   6.753 -12.166  -7.702
   37   2HD   LYS   6          3HD       LYS   6   5.096 -11.550  -7.864
   38   1HE   LYS   6          2HE       LYS   6   5.832 -10.057  -9.711
   39   2HE   LYS   6          3HE       LYS   6   7.496 -10.620  -9.517
   40   1HZ   LYS   6          1HZ       LYS   6   6.744 -12.853 -10.139
   41   2HZ   LYS   6          2HZ       LYS   6   5.202 -12.338 -10.309
   42   3HZ   LYS   6          3HZ       LYS   6   6.363 -11.793 -11.317
   43    H    GLY   7           H        GLY   7   6.701  -7.607  -3.859
   44   1HA   GLY   7          2HA       GLY   7   8.979  -7.033  -3.299
   45   2HA   GLY   7          3HA       GLY   7   9.155  -6.206  -4.853
   46    H    ARG   8           H        ARG   8   6.138  -5.507  -3.336
   47    HA   ARG   8           HA       ARG   8   7.154  -2.845  -2.357
   48   1HB   ARG   8          2HB       ARG   8   4.650  -3.429  -3.987
   49   2HB   ARG   8          3HB       ARG   8   5.170  -1.865  -3.388
   50   1HG   ARG   8          2HG       ARG   8   7.288  -2.122  -4.786
   51   2HG   ARG   8          3HG       ARG   8   6.546  -3.566  -5.496
   52   1HD   ARG   8          2HD       ARG   8   6.165  -1.688  -6.964
   53   2HD   ARG   8          3HD       ARG   8   4.611  -2.180  -6.252
   54    HE   ARG   8           HE       ARG   8   5.659  -0.192  -4.547
   55   1HH1  ARG   8          2HH1      ARG   8   4.635  -0.163  -7.906
   56   2HH1  ARG   8          1HH1      ARG   8   4.233   1.529  -7.830
   57   1HH2  ARG   8          1HH2      ARG   8   5.073   1.785  -4.465
   58   2HH2  ARG   8          2HH2      ARG   8   4.503   2.656  -5.886
   59    H    CYS   9           H        CYS   9   4.683  -5.299  -1.744
   60    HA   CYS   9           HA       CYS   9   2.779  -4.098  -0.410
   61   1HB   CYS   9          2HB       CYS   9   3.879  -6.787   0.410
   62   2HB   CYS   9          3HB       CYS   9   2.213  -6.218   0.509
   63    H    THR  10           H        THR  10   5.567  -3.346   1.011
   64    HA   THR  10           HA       THR  10   4.228  -2.606   3.509
   65    HB   THR  10           HB       THR  10   6.187  -3.274   4.930
   66    HG1  THR  10           1HG      THR  10   6.828  -4.944   2.723
   67   1HG2  THR  10          1HG2      THR  10   5.603  -5.576   5.254
   68   2HG2  THR  10          2HG2      THR  10   4.129  -4.655   4.909
   69   3HG2  THR  10          3HG2      THR  10   4.850  -5.684   3.650
   70    H    GLU  11           H        GLU  11   5.409  -1.391   0.952
   71    HA   GLU  11           HA       GLU  11   7.812  -0.030   1.499
   72   1HB   GLU  11          2HB       GLU  11   7.243   1.371  -0.400
   73   2HB   GLU  11          3HB       GLU  11   7.011  -0.339  -0.750
   74   1HG   GLU  11          2HG       GLU  11   4.552  -0.051  -0.604
   75   2HG   GLU  11          3HG       GLU  11   4.771   1.610  -0.033
   76    H    GLY  12           H        GLY  12   4.792   0.732   2.844
   77   1HA   GLY  12          2HA       GLY  12   4.503   2.409   4.526
   78   2HA   GLY  12          3HA       GLY  12   5.694   3.439   3.739
   79    H    PHE  13           H        PHE  13   3.350   4.498   4.530
   80    HA   PHE  13           HA       PHE  13   1.595   4.751   2.127
   81   1HB   PHE  13          2HB       PHE  13   0.289   4.049   3.895
   82   2HB   PHE  13          3HB       PHE  13   1.178   5.010   5.093
   83    HD1  PHE  13           1HD      PHE  13  -1.323   5.156   2.327
   84    HD2  PHE  13           2HD      PHE  13   0.581   7.295   5.560
   85    HE1  PHE  13           1HE      PHE  13  -3.021   6.953   2.154
   86    HE2  PHE  13           2HE      PHE  13  -1.093   9.113   5.348
   87    HZ   PHE  13           HZ       PHE  13  -2.886   8.947   3.642
   88    H    ASN  14           H        ASN  14   1.288   6.543   1.130
   89    HA   ASN  14           HA       ASN  14   1.543   9.177   2.181
   90   1HB   ASN  14          2HB       ASN  14   3.959   8.925   1.774
   91   2HB   ASN  14          3HB       ASN  14   3.657   8.333   0.135
   92   1HD2  ASN  14          2HD2      ASN  14   5.258  10.201  -0.231
   93   2HD2  ASN  14          1HD2      ASN  14   4.514  11.776  -0.509
   94    H    VAL  15           H        VAL  15  -0.510   9.469   1.468
   95    HA   VAL  15           HA       VAL  15  -1.701   8.147  -0.642
   96    HB   VAL  15           HB       VAL  15  -2.732   9.087   1.345
   97   1HG1  VAL  15          1HG1      VAL  15  -3.011  11.690  -0.129
   98   2HG1  VAL  15          2HG1      VAL  15  -3.711  11.227   1.449
   99   3HG1  VAL  15          3HG1      VAL  15  -1.959  11.380   1.282
  100   1HG2  VAL  15          1HG2      VAL  15  -4.915   9.273   0.459
  101   2HG2  VAL  15          2HG2      VAL  15  -4.288   9.626  -1.168
  102   3HG2  VAL  15          3HG2      VAL  15  -4.004   8.033  -0.413
  103    H    ASP  16           H        ASP  16   0.357  10.796  -1.158
  104    HA   ASP  16           HA       ASP  16  -0.736  11.608  -3.751
  105   1HB   ASP  16          2HB       ASP  16   1.910  12.049  -2.342
  106   2HB   ASP  16          3HB       ASP  16   1.586  12.636  -3.977
  107    H    LYS  17           H        LYS  17   1.170   8.860  -2.734
  108    HA   LYS  17           HA       LYS  17   2.596   8.395  -5.214
  109   1HB   LYS  17          2HB       LYS  17   1.810   6.471  -2.985
  110   2HB   LYS  17          3HB       LYS  17   2.876   6.055  -4.333
  111   1HG   LYS  17          2HG       LYS  17   4.464   7.811  -3.638
  112   2HG   LYS  17          3HG       LYS  17   3.442   8.195  -2.245
  113   1HD   LYS  17          2HD       LYS  17   4.840   5.524  -2.788
  114   2HD   LYS  17          3HD       LYS  17   5.334   6.768  -1.638
  115   1HE   LYS  17          2HE       LYS  17   4.283   5.468  -0.147
  116   2HE   LYS  17          3HE       LYS  17   2.855   6.380  -0.672
  117   1HZ   LYS  17          1HZ       LYS  17   2.580   3.921  -0.593
  118   2HZ   LYS  17          2HZ       LYS  17   2.269   4.492  -2.107
  119   3HZ   LYS  17          3HZ       LYS  17   3.678   3.729  -1.780
  120    H    LYS  18           H        LYS  18   2.314   6.730  -6.724
  121    HA   LYS  18           HA       LYS  18  -0.268   6.598  -7.956
  122   1HB   LYS  18          2HB       LYS  18   2.427   5.355  -8.483
  123   2HB   LYS  18          3HB       LYS  18   1.014   4.718  -9.328
  124   1HG   LYS  18          2HG       LYS  18   2.066   6.344 -10.726
  125   2HG   LYS  18          3HG       LYS  18   0.496   6.975 -10.197
  126   1HD   LYS  18          2HD       LYS  18   1.661   8.338  -8.463
  127   2HD   LYS  18          3HD       LYS  18   3.224   7.761  -9.050
  128   1HE   LYS  18          2HE       LYS  18   1.175   9.304 -10.714
  129   2HE   LYS  18          3HE       LYS  18   2.530  10.048  -9.864
  130   1HZ   LYS  18          1HZ       LYS  18   2.794   8.050 -12.046
  131   2HZ   LYS  18          2HZ       LYS  18   3.095   9.645 -12.172
  132   3HZ   LYS  18          3HZ       LYS  18   4.048   8.716 -11.231
  133    H    CYS  19           H        CYS  19   1.159   4.460  -5.618
  134    HA   CYS  19           HA       CYS  19  -1.463   3.181  -5.359
  135   1HB   CYS  19          2HB       CYS  19  -0.817   0.971  -5.291
  136   2HB   CYS  19          3HB       CYS  19   0.021   1.566  -6.720
  137    H    GLN  20           H        GLN  20  -1.813   2.317  -3.302
  138    HA   GLN  20           HA       GLN  20   0.115   3.102  -1.147
  139   1HB   GLN  20          2HB       GLN  20  -2.899   2.756  -0.984
  140   2HB   GLN  20          3HB       GLN  20  -1.813   3.205   0.348
  141   1HG   GLN  20          2HG       GLN  20  -2.580   4.840  -2.086
  142   2HG   GLN  20          3HG       GLN  20  -2.862   5.214  -0.382
  143   1HE2  GLN  20          2HE2      GLN  20  -1.170   6.445  -2.856
  144   2HE2  GLN  20          1HE2      GLN  20   0.210   6.995  -1.901
  145    H    CYS  21           H        CYS  21   0.953   1.043  -2.343
  146    HA   CYS  21           HA       CYS  21  -0.204  -1.540  -1.716
  147   1HB   CYS  21          2HB       CYS  21   2.614  -0.744  -2.607
  148   2HB   CYS  21          3HB       CYS  21   1.901  -2.352  -2.652
  149    H    ASP  22           H        ASP  22  -0.308  -0.450   0.651
  150    HA   ASP  22           HA       ASP  22   1.709  -1.669   2.425
  151   1HB   ASP  22          2HB       ASP  22   2.641   0.527   1.720
  152   2HB   ASP  22          3HB       ASP  22   1.161   1.329   2.266
  153    H    GLU  23           H        GLU  23   1.136  -1.145   4.732
  154    HA   GLU  23           HA       GLU  23  -1.143  -2.490   5.421
  155   1HB   GLU  23          2HB       GLU  23   0.403  -0.559   7.187
  156   2HB   GLU  23          3HB       GLU  23  -0.533  -1.960   7.712
  157   1HG   GLU  23          2HG       GLU  23   1.061  -3.442   6.450
  158   2HG   GLU  23          3HG       GLU  23   2.050  -2.023   6.086
  159    H    LEU  24           H        LEU  24  -1.409   0.828   4.592
  160    HA   LEU  24           HA       LEU  24  -3.757   1.257   6.417
  161   1HB   LEU  24          2HB       LEU  24  -1.734   3.211   5.266
  162   2HB   LEU  24          3HB       LEU  24  -3.155   3.675   6.195
  163    HG   LEU  24           HG       LEU  24  -0.851   1.988   7.265
  164   1HD1  LEU  24          1HD1      LEU  24  -1.668   4.872   7.819
  165   2HD1  LEU  24          2HD1      LEU  24  -0.337   3.986   8.600
  166   3HD1  LEU  24          3HD1      LEU  24  -0.259   4.350   6.871
  167   1HD2  LEU  24          1HD2      LEU  24  -1.933   2.421   9.483
  168   2HD2  LEU  24          2HD2      LEU  24  -3.337   3.113   8.637
  169   3HD2  LEU  24          3HD2      LEU  24  -2.919   1.396   8.438
  170    H    CYS  25           H        CYS  25  -3.227   0.635   3.137
  171    HA   CYS  25           HA       CYS  25  -4.667   2.819   2.019
  172   1HB   CYS  25          2HB       CYS  25  -4.616   1.661  -0.005
  173   2HB   CYS  25          3HB       CYS  25  -3.121   1.312   0.874
  174    H    SER  26           H        SER  26  -6.033  -0.167   3.378
  175    HA   SER  26           HA       SER  26  -8.516  -0.142   1.974
  176   1HB   SER  26          2HB       SER  26  -9.324  -1.560   3.810
  177   2HB   SER  26          3HB       SER  26  -7.740  -2.078   3.211
  178    HG   SER  26           HG       SER  26  -7.836  -2.018   5.522
  179    H    TYR  27           H        TYR  27  -7.432   1.684   4.745
  180    HA   TYR  27           HA       TYR  27  -9.940   2.915   5.477
  181   1HB   TYR  27          2HB       TYR  27  -8.348   2.723   7.144
  182   2HB   TYR  27          3HB       TYR  27  -7.026   3.200   6.114
  183    HD1  TYR  27           1HD      TYR  27 -10.176   4.733   7.539
  184    HD2  TYR  27           2HD      TYR  27  -6.017   5.199   6.490
  185    HE1  TYR  27           1HE      TYR  27 -10.195   7.054   8.465
  186    HE2  TYR  27           2HE      TYR  27  -6.038   7.512   7.391
  187    HH   TYR  27           HH       TYR  27  -7.290   9.153   8.408
  188    H    TYR  28           H        TYR  28  -7.768   3.536   2.823
  189    HA   TYR  28           HA       TYR  28  -9.035   6.210   2.311
  190   1HB   TYR  28          2HB       TYR  28  -6.326   5.070   1.561
  191   2HB   TYR  28          3HB       TYR  28  -6.999   6.528   0.833
  192    HD1  TYR  28           1HD      TYR  28  -5.161   5.243   3.661
  193    HD2  TYR  28           2HD      TYR  28  -7.619   8.507   2.273
  194    HE1  TYR  28           1HE      TYR  28  -4.198   6.724   5.416
  195    HE2  TYR  28           2HE      TYR  28  -6.667   9.981   4.039
  196    HH   TYR  28           HH       TYR  28  -5.188  10.157   5.774
  197    H    GLN  29           H        GLN  29  -8.814   3.003   1.038
  198    HA   GLN  29           HA       GLN  29  -9.451   1.987  -0.845
  199   1HB   GLN  29          2HB       GLN  29 -11.414   4.256  -1.308
  200   2HB   GLN  29          3HB       GLN  29 -11.475   2.618  -1.941
  201   1HG   GLN  29          2HG       GLN  29 -13.005   2.488  -0.227
  202   2HG   GLN  29          3HG       GLN  29 -11.555   1.831   0.536
  203   1HE2  GLN  29          2HE2      GLN  29 -11.351   2.612   2.659
  204   2HE2  GLN  29          1HE2      GLN  29 -11.851   4.236   3.147
  205    H    SER  30           H        SER  30  -7.200   3.797  -1.050
  206    HA   SER  30           HA       SER  30  -7.153   4.604  -3.919
  207   1HB   SER  30          2HB       SER  30  -5.212   6.000  -3.137
  208   2HB   SER  30          3HB       SER  30  -6.763   6.394  -2.362
  209    HG   SER  30           HG       SER  30  -5.126   6.236  -0.808
  210    H    CYS  31           H        CYS  31  -6.687   1.842  -2.745
  211    HA   CYS  31           HA       CYS  31  -3.845   1.310  -2.861
  212   1HB   CYS  31          2HB       CYS  31  -5.985   0.278  -1.505
  213   2HB   CYS  31          3HB       CYS  31  -5.836  -0.916  -2.801
  214    H    CYS  32           H        CYS  32  -3.275  -0.953  -3.925
  215    HA   CYS  32           HA       CYS  32  -3.353  -0.842  -6.811
  216   1HB   CYS  32          2HB       CYS  32  -2.507  -3.201  -6.597
  217   2HB   CYS  32          3HB       CYS  32  -1.543  -2.049  -5.667
  218    H    THR  33           H        THR  33  -4.416  -2.501  -8.192
  219    HA   THR  33           HA       THR  33  -7.156  -2.429  -7.997
  220    HB   THR  33           HB       THR  33  -5.698  -4.611  -9.514
  221    HG1  THR  33           1HG      THR  33  -5.319  -3.052 -11.093
  222   1HG2  THR  33          1HG2      THR  33  -8.121  -2.871 -10.192
  223   2HG2  THR  33          2HG2      THR  33  -7.373  -4.065 -11.278
  224   3HG2  THR  33          3HG2      THR  33  -8.157  -4.603  -9.792
  225    H    ASP  34           H        ASP  34  -5.135  -4.961  -6.593
  226    HA   ASP  34           HA       ASP  34  -7.566  -6.436  -5.654
  227   1HB   ASP  34          2HB       ASP  34  -5.150  -7.578  -7.110
  228   2HB   ASP  34          3HB       ASP  34  -6.376  -8.559  -6.292
  229    H    TYR  35           H        TYR  35  -5.771  -4.656  -4.106
  230    HA   TYR  35           HA       TYR  35  -3.803  -5.611  -2.635
  231   1HB   TYR  35          2HB       TYR  35  -4.763  -3.427  -2.219
  232   2HB   TYR  35          3HB       TYR  35  -6.202  -4.155  -1.522
  233    HD1  TYR  35           1HD      TYR  35  -2.561  -3.403  -0.896
  234    HD2  TYR  35           2HD      TYR  35  -6.282  -4.892   0.748
  235    HE1  TYR  35           1HE      TYR  35  -1.646  -3.215   1.397
  236    HE2  TYR  35           2HE      TYR  35  -5.355  -4.662   3.036
  237    HH   TYR  35           HH       TYR  35  -3.599  -3.976   4.307
  238    H    THR  36           H        THR  36  -7.128  -6.552  -1.579
  239    HA   THR  36           HA       THR  36  -6.203  -8.122   0.621
  240    HB   THR  36           HB       THR  36  -8.556  -9.080   0.529
  241    HG1  THR  36           1HG      THR  36  -9.972  -8.011  -0.861
  242   1HG2  THR  36          1HG2      THR  36  -7.878  -7.061   1.871
  243   2HG2  THR  36          2HG2      THR  36  -8.341  -6.035   0.496
  244   3HG2  THR  36          3HG2      THR  36  -9.566  -7.017   1.330
  245    H    ALA  37           H        ALA  37  -6.021  -8.951  -2.652
  246    HA   ALA  37           HA       ALA  37  -5.654 -11.850  -1.962
  247   1HB   ALA  37          1HB       ALA  37  -6.552 -10.592  -4.584
  248   2HB   ALA  37          2HB       ALA  37  -6.309 -12.326  -4.280
  249   3HB   ALA  37          3HB       ALA  37  -7.591 -11.448  -3.422
  250    H    GLU  38           H        GLU  38  -4.276  -9.074  -3.719
  251    HA   GLU  38           HA       GLU  38  -1.874 -10.711  -4.455
  252   1HB   GLU  38          2HB       GLU  38  -3.063  -8.242  -5.762
  253   2HB   GLU  38          3HB       GLU  38  -1.649  -9.128  -6.332
  254   1HG   GLU  38          2HG       GLU  38  -4.504 -10.189  -6.212
  255   2HG   GLU  38          3HG       GLU  38  -3.638  -9.670  -7.650
  256    H    CYS  39           H        CYS  39  -2.725  -7.868  -2.567
  257    HA   CYS  39           HA       CYS  39   0.157  -7.101  -2.501
  258   1HB   CYS  39          2HB       CYS  39  -1.963  -5.106  -2.002
  259   2HB   CYS  39          3HB       CYS  39  -0.376  -4.804  -2.560
  260    H    LYS  40           H        LYS  40  -2.189  -8.436  -0.652
  261    HA   LYS  40           HA       LYS  40  -2.223  -6.910   1.649
  262   1HB   LYS  40          2HB       LYS  40  -3.003  -8.986   2.814
  263   2HB   LYS  40          3HB       LYS  40  -3.941  -8.411   1.446
  264   1HG   LYS  40          2HG       LYS  40  -3.245 -10.182   0.030
  265   2HG   LYS  40          3HG       LYS  40  -1.904 -10.648   1.103
  266   1HD   LYS  40          2HD       LYS  40  -3.423 -11.390   2.820
  267   2HD   LYS  40          3HD       LYS  40  -4.832 -10.796   1.922
  268   1HE   LYS  40          2HE       LYS  40  -4.327 -12.415   0.096
  269   2HE   LYS  40          3HE       LYS  40  -2.931 -13.004   1.015
  270   1HZ   LYS  40          1HZ       LYS  40  -4.848 -14.423   1.415
  271   2HZ   LYS  40          2HZ       LYS  40  -4.496 -13.624   2.810
  272   3HZ   LYS  40          3HZ       LYS  40  -5.767 -13.158   1.886
  273    HA   PRO  41           HA       PRO  41   1.782  -7.697   3.669
  274   1HB   PRO  41          2HB       PRO  41   0.135  -6.751   6.008
  275   2HB   PRO  41          3HB       PRO  41   1.770  -6.231   5.502
  276   1HG   PRO  41          2HG       PRO  41  -0.454  -4.699   5.039
  277   2HG   PRO  41          3HG       PRO  41   0.884  -4.793   3.848
  278   1HD   PRO  41          2HD       PRO  41  -1.798  -6.145   3.720
  279   2HD   PRO  41          3HD       PRO  41  -0.771  -5.478   2.434
  280    H    GLN  42           H        GLN  42   2.464  -9.150   5.477
  281    HA   GLN  42           HA       GLN  42   0.815 -11.542   5.552
  282   1HB   GLN  42          2HB       GLN  42   3.579 -10.997   6.687
  283   2HB   GLN  42          3HB       GLN  42   2.744 -12.567   6.697
  284   1HG   GLN  42          2HG       GLN  42   2.530 -12.375   4.164
  285   2HG   GLN  42          3HG       GLN  42   3.613 -10.984   4.246
  286   1HE2  GLN  42          2HE2      GLN  42   5.748 -11.561   3.813
  287   2HE2  GLN  42          1HE2      GLN  42   6.448 -13.139   4.191
  288    H    VAL  43           H        VAL  43  -0.691  -9.767   6.784
  289    HA   VAL  43           HA       VAL  43  -0.939 -10.953   9.498
  290    HB   VAL  43           HB       VAL  43  -2.064  -8.916  10.311
  291   1HG1  VAL  43          1HG1      VAL  43   0.384  -9.142  10.624
  292   2HG1  VAL  43          2HG1      VAL  43   0.651  -8.215   9.130
  293   3HG1  VAL  43          3HG1      VAL  43  -0.148  -7.455  10.519
  294   1HG2  VAL  43          1HG2      VAL  43  -2.962  -8.051   8.163
  295   2HG2  VAL  43          2HG2      VAL  43  -2.031  -6.821   9.027
  296   3HG2  VAL  43          3HG2      VAL  43  -1.316  -7.652   7.633
  297    H    THR  44           H        THR  44  -1.881 -11.464   6.781
  298    HA   THR  44           HA       THR  44  -4.601 -12.437   7.365
  299    HB   THR  44           HB       THR  44  -4.228 -10.786   4.839
  300    HG1  THR  44           1HG      THR  44  -5.180  -9.936   7.359
  301   1HG2  THR  44          1HG2      THR  44  -6.185 -12.328   4.878
  302   2HG2  THR  44          2HG2      THR  44  -6.713 -11.620   6.416
  303   3HG2  THR  44          3HG2      THR  44  -6.700 -10.639   4.933
  304    H    ARG  45           H        ARG  45  -2.285 -13.824   7.220
  305    HA   ARG  45           HA       ARG  45  -2.261 -15.274   4.605
  306   1HB   ARG  45          2HB       ARG  45  -0.507 -13.558   4.636
  307   2HB   ARG  45          3HB       ARG  45   0.142 -14.167   6.152
  308   1HG   ARG  45          2HG       ARG  45  -0.030 -16.008   3.758
  309   2HG   ARG  45          3HG       ARG  45   1.222 -14.762   3.797
  310   1HD   ARG  45          2HD       ARG  45   2.272 -15.657   5.725
  311   2HD   ARG  45          3HD       ARG  45   0.912 -16.694   6.114
  312    HE   ARG  45           HE       ARG  45   1.436 -18.160   4.307
  313   1HH1  ARG  45          2HH1      ARG  45   4.062 -15.797   4.770
  314   2HH1  ARG  45          1HH1      ARG  45   5.091 -16.748   3.730
  315   1HH2  ARG  45          2HH2      ARG  45   2.836 -19.021   2.785
  316   2HH2  ARG  45          1HH2      ARG  45   4.436 -18.385   2.696
  317    H    GLY  46           H        GLY  46  -1.654 -17.404   4.678
  318   1HA   GLY  46          2HA       GLY  46  -0.658 -18.888   6.874
  319   2HA   GLY  46          3HA       GLY  46  -2.422 -18.964   6.948
  320    H    ASP  47           H        ASP  47  -2.660 -18.886   3.958
  321    HA   ASP  47           HA       ASP  47  -1.451 -21.464   3.094
  322   1HB   ASP  47          2HB       ASP  47  -3.717 -21.850   4.040
  323   2HB   ASP  47          3HB       ASP  47  -4.387 -20.706   2.876
  324    H    VAL  48           H        VAL  48  -0.214 -19.363   2.337
  325    HA   VAL  48           HA       VAL  48  -0.928 -18.788  -0.502
  326    HB   VAL  48           HB       VAL  48   0.075 -16.669   1.445
  327   1HG1  VAL  48          1HG1      VAL  48  -0.964 -16.465  -1.417
  328   2HG1  VAL  48          2HG1      VAL  48  -0.556 -15.089  -0.373
  329   3HG1  VAL  48          3HG1      VAL  48   0.712 -16.190  -0.885
  330   1HG2  VAL  48          1HG2      VAL  48  -2.255 -17.158   2.053
  331   2HG2  VAL  48          2HG2      VAL  48  -2.156 -15.602   1.236
  332   3HG2  VAL  48          3HG2      VAL  48  -2.746 -17.027   0.350
  333    H    PHE  49           H        PHE  49   0.897 -18.498  -1.844
  334    HA   PHE  49           HA       PHE  49   3.197 -20.027  -1.104
  335   1HB   PHE  49          2HB       PHE  49   2.681 -18.296  -3.554
  336   2HB   PHE  49          3HB       PHE  49   3.917 -19.547  -3.414
  337    HD1  PHE  49           1HD      PHE  49   3.164 -21.974  -2.943
  338    HD2  PHE  49           2HD      PHE  49   0.505 -18.882  -4.355
  339    HE1  PHE  49           1HE      PHE  49   1.580 -23.705  -3.762
  340    HE2  PHE  49           2HE      PHE  49  -1.076 -20.616  -5.165
  341    HZ   PHE  49           HZ       PHE  49  -0.542 -23.027  -4.871
  342    H    THR  50           H        THR  50   2.718 -16.728  -0.488
  343    HA   THR  50           HA       THR  50   5.257 -15.597  -1.134
  344    HB   THR  50           HB       THR  50   3.127 -14.364  -0.683
  345    HG1  THR  50           1HG      THR  50   4.846 -13.103  -0.789
  346   1HG2  THR  50          1HG2      THR  50   2.523 -13.707   1.553
  347   2HG2  THR  50          2HG2      THR  50   2.501 -15.477   1.482
  348   3HG2  THR  50          3HG2      THR  50   3.861 -14.631   2.258
  349    H    MET  51           H        MET  51   6.782 -14.628   0.508
  350    HA   MET  51           HA       MET  51   7.294 -16.214   2.951
  351   1HB   MET  51          2HB       MET  51   9.285 -16.046   0.654
  352   2HB   MET  51          3HB       MET  51   9.710 -16.504   2.302
  353   1HG   MET  51          2HG       MET  51   7.745 -17.993   0.528
  354   2HG   MET  51          3HG       MET  51   9.423 -18.449   0.821
  355   1HE   MET  51          1HE       MET  51   7.089 -21.160   2.598
  356   2HE   MET  51          2HE       MET  51   6.631 -20.173   1.191
  357   3HE   MET  51          3HE       MET  51   8.258 -20.888   1.287
  Start of MODEL   16
    1   1H    ASP   1          1H        ASP   1  -4.361   1.872 -17.568
    2   2H    ASP   1          2H        ASP   1  -4.723   0.331 -17.147
    3   3H    ASP   1          3H        ASP   1  -5.379   1.577 -16.317
    4    HA   ASP   1           HA       ASP   1  -2.523   0.872 -16.381
    5   1HB   ASP   1          2HB       ASP   1  -2.955   3.325 -16.216
    6   2HB   ASP   1          3HB       ASP   1  -3.923   3.037 -14.757
    7    H    GLN   2           H        GLN   2  -1.708  -0.211 -14.562
    8    HA   GLN   2           HA       GLN   2  -3.527  -1.090 -12.415
    9   1HB   GLN   2          2HB       GLN   2  -3.776  -2.708 -14.360
   10   2HB   GLN   2          3HB       GLN   2  -2.053  -3.083 -14.202
   11   1HG   GLN   2          2HG       GLN   2  -2.485  -3.872 -11.858
   12   2HG   GLN   2          3HG       GLN   2  -4.202  -3.494 -12.082
   13   1HE2  GLN   2          2HE2      GLN   2  -3.827  -6.020 -11.276
   14   2HE2  GLN   2          1HE2      GLN   2  -3.955  -7.116 -12.653
   15    H    GLU   3           H        GLU   3  -2.381  -1.628 -10.498
   16    HA   GLU   3           HA       GLU   3   0.509  -1.996 -10.596
   17   1HB   GLU   3          2HB       GLU   3   0.331   0.468 -10.583
   18   2HB   GLU   3          3HB       GLU   3  -0.579   0.398  -9.059
   19   1HG   GLU   3          2HG       GLU   3   1.324  -0.483  -7.875
   20   2HG   GLU   3          3HG       GLU   3   2.164  -0.891  -9.370
   21    H    SER   4           H        SER   4   1.095  -3.422  -9.224
   22    HA   SER   4           HA       SER   4  -0.521  -4.159  -6.847
   23   1HB   SER   4          2HB       SER   4  -0.594  -6.451  -7.585
   24   2HB   SER   4          3HB       SER   4  -1.226  -5.426  -8.890
   25    HG   SER   4           HG       SER   4   0.255  -6.934  -9.724
   26    H    CYS   5           H        CYS   5   0.694  -6.232  -5.931
   27    HA   CYS   5           HA       CYS   5   2.669  -5.279  -4.299
   28   1HB   CYS   5          2HB       CYS   5   1.142  -7.164  -3.982
   29   2HB   CYS   5          3HB       CYS   5   1.995  -8.104  -5.188
   30    H    LYS   6           H        LYS   6   3.363  -6.351  -7.527
   31    HA   LYS   6           HA       LYS   6   5.766  -7.737  -6.948
   32   1HB   LYS   6          2HB       LYS   6   5.069  -6.443  -9.604
   33   2HB   LYS   6          3HB       LYS   6   6.093  -7.859  -9.353
   34   1HG   LYS   6          2HG       LYS   6   3.072  -7.751  -8.852
   35   2HG   LYS   6          3HG       LYS   6   3.832  -8.260 -10.346
   36   1HD   LYS   6          2HD       LYS   6   3.081 -10.159  -9.080
   37   2HD   LYS   6          3HD       LYS   6   4.836 -10.206  -9.254
   38   1HE   LYS   6          2HE       LYS   6   5.212  -9.733  -6.982
   39   2HE   LYS   6          3HE       LYS   6   3.604  -9.018  -6.758
   40   1HZ   LYS   6          1HZ       LYS   6   3.869 -11.284  -5.789
   41   2HZ   LYS   6          2HZ       LYS   6   2.605 -11.129  -6.803
   42   3HZ   LYS   6          3HZ       LYS   6   3.977 -11.906  -7.299
   43    H    GLY   7           H        GLY   7   7.286  -6.720  -5.829
   44   1HA   GLY   7          2HA       GLY   7   9.034  -5.323  -5.276
   45   2HA   GLY   7          3HA       GLY   7   8.963  -4.595  -6.892
   46    H    ARG   8           H        ARG   8   6.229  -4.723  -4.611
   47    HA   ARG   8           HA       ARG   8   6.357  -1.756  -4.182
   48   1HB   ARG   8          2HB       ARG   8   4.974  -2.902  -6.281
   49   2HB   ARG   8          3HB       ARG   8   3.754  -2.953  -5.020
   50   1HG   ARG   8          2HG       ARG   8   3.459  -1.045  -6.403
   51   2HG   ARG   8          3HG       ARG   8   3.862  -0.534  -4.764
   52   1HD   ARG   8          2HD       ARG   8   6.130  -0.835  -6.717
   53   2HD   ARG   8          3HD       ARG   8   4.981   0.492  -6.992
   54    HE   ARG   8           HE       ARG   8   5.519   0.717  -4.318
   55   1HH1  ARG   8          1HH2      ARG   8   7.590   0.747  -7.157
   56   2HH1  ARG   8          2HH2      ARG   8   8.711   1.882  -6.452
   57   1HH2  ARG   8          1HH1      ARG   8   6.983   2.170  -3.480
   58   2HH2  ARG   8          2HH1      ARG   8   8.386   2.648  -4.412
   59    H    CYS   9           H        CYS   9   4.862  -4.809  -3.136
   60    HA   CYS   9           HA       CYS   9   2.992  -3.586  -1.351
   61   1HB   CYS   9          2HB       CYS   9   2.811  -6.003  -0.462
   62   2HB   CYS   9          3HB       CYS   9   2.366  -5.603  -2.125
   63    H    THR  10           H        THR  10   2.713  -3.659   0.780
   64    HA   THR  10           HA       THR  10   3.115  -2.956   2.840
   65    HB   THR  10           HB       THR  10   5.404  -4.890   3.185
   66    HG1  THR  10           1HG      THR  10   4.040  -6.571   3.190
   67   1HG2  THR  10          1HG2      THR  10   4.198  -5.379   5.304
   68   2HG2  THR  10          2HG2      THR  10   4.542  -3.651   5.187
   69   3HG2  THR  10          3HG2      THR  10   2.907  -4.249   4.843
   70    H    GLU  11           H        GLU  11   4.541  -1.477   0.784
   71    HA   GLU  11           HA       GLU  11   7.212  -0.877   1.675
   72   1HB   GLU  11          2HB       GLU  11   7.161   0.874   0.006
   73   2HB   GLU  11          3HB       GLU  11   6.593  -0.655  -0.644
   74   1HG   GLU  11          2HG       GLU  11   4.238   0.144  -0.513
   75   2HG   GLU  11          3HG       GLU  11   4.786   1.648   0.241
   76    H    GLY  12           H        GLY  12   4.192   0.413   2.720
   77   1HA   GLY  12          2HA       GLY  12   4.013   1.777   4.698
   78   2HA   GLY  12          3HA       GLY  12   5.532   2.583   4.304
   79    H    PHE  13           H        PHE  13   2.851   3.637   4.880
   80    HA   PHE  13           HA       PHE  13   1.434   4.402   2.541
   81   1HB   PHE  13          2HB       PHE  13   0.266   4.228   4.573
   82   2HB   PHE  13          3HB       PHE  13   1.425   5.250   5.446
   83    HD1  PHE  13           1HD      PHE  13  -1.240   5.282   2.807
   84    HD2  PHE  13           2HD      PHE  13   1.071   7.600   5.622
   85    HE1  PHE  13           1HE      PHE  13  -2.737   7.219   2.452
   86    HE2  PHE  13           2HE      PHE  13  -0.424   9.543   5.256
   87    HZ   PHE  13           HZ       PHE  13  -2.333   9.355   3.684
   88    H    ASN  14           H        ASN  14   1.297   6.100   1.349
   89    HA   ASN  14           HA       ASN  14   2.014   8.758   2.009
   90   1HB   ASN  14          2HB       ASN  14   4.331   8.098   1.480
   91   2HB   ASN  14          3HB       ASN  14   3.790   7.414  -0.063
   92   1HD2  ASN  14          2HD2      ASN  14   5.766   9.126  -0.396
   93   2HD2  ASN  14          1HD2      ASN  14   5.159  10.682  -0.953
   94    H    VAL  15           H        VAL  15  -0.011   9.318   1.384
   95    HA   VAL  15           HA       VAL  15  -1.473   8.021  -0.616
   96    HB   VAL  15           HB       VAL  15  -2.248   9.249   1.402
   97   1HG1  VAL  15          1HG1      VAL  15  -3.002  11.489   1.277
   98   2HG1  VAL  15          2HG1      VAL  15  -1.255  11.423   1.008
   99   3HG1  VAL  15          3HG1      VAL  15  -2.358  11.673  -0.377
  100   1HG2  VAL  15          1HG2      VAL  15  -3.727   8.118  -0.085
  101   2HG2  VAL  15          2HG2      VAL  15  -4.460   9.583   0.577
  102   3HG2  VAL  15          3HG2      VAL  15  -3.874   9.579  -1.104
  103    H    ASP  16           H        ASP  16   0.924  10.331  -1.243
  104    HA   ASP  16           HA       ASP  16  -0.090  11.298  -3.803
  105   1HB   ASP  16          2HB       ASP  16   1.610  12.466  -2.388
  106   2HB   ASP  16          3HB       ASP  16   2.742  11.147  -2.731
  107    H    LYS  17           H        LYS  17   1.390   8.299  -2.758
  108    HA   LYS  17           HA       LYS  17   2.603   7.517  -5.277
  109   1HB   LYS  17          2HB       LYS  17   1.682   5.874  -2.874
  110   2HB   LYS  17          3HB       LYS  17   2.566   5.212  -4.255
  111   1HG   LYS  17          2HG       LYS  17   4.496   6.633  -3.794
  112   2HG   LYS  17          3HG       LYS  17   3.640   7.415  -2.445
  113   1HD   LYS  17          2HD       LYS  17   3.465   5.231  -1.281
  114   2HD   LYS  17          3HD       LYS  17   4.315   4.442  -2.630
  115   1HE   LYS  17          2HE       LYS  17   6.320   5.784  -2.217
  116   2HE   LYS  17          3HE       LYS  17   5.496   6.688  -0.935
  117   1HZ   LYS  17          1HZ       LYS  17   6.123   3.792  -0.916
  118   2HZ   LYS  17          2HZ       LYS  17   6.845   4.926   0.017
  119   3HZ   LYS  17          3HZ       LYS  17   5.271   4.535   0.280
  120    H    LYS  18           H        LYS  18   1.921   6.028  -6.787
  121    HA   LYS  18           HA       LYS  18  -0.831   6.307  -7.616
  122   1HB   LYS  18          2HB       LYS  18   1.642   5.023  -8.746
  123   2HB   LYS  18          3HB       LYS  18   0.070   4.595  -9.435
  124   1HG   LYS  18          2HG       LYS  18   1.022   6.390 -10.720
  125   2HG   LYS  18          3HG       LYS  18  -0.404   6.989  -9.855
  126   1HD   LYS  18          2HD       LYS  18   1.112   8.004  -8.136
  127   2HD   LYS  18          3HD       LYS  18   2.514   7.443  -9.070
  128   1HE   LYS  18          2HE       LYS  18   1.790   8.811 -10.994
  129   2HE   LYS  18          3HE       LYS  18   0.334   9.305 -10.118
  130   1HZ   LYS  18          1HZ       LYS  18   2.055  10.999  -9.947
  131   2HZ   LYS  18          2HZ       LYS  18   1.777  10.379  -8.463
  132   3HZ   LYS  18          3HZ       LYS  18   3.117   9.949  -9.295
  133    H    CYS  19           H        CYS  19   0.580   3.998  -5.582
  134    HA   CYS  19           HA       CYS  19  -2.072   2.737  -5.299
  135   1HB   CYS  19          2HB       CYS  19  -1.226   0.537  -5.034
  136   2HB   CYS  19          3HB       CYS  19  -0.689   1.088  -6.620
  137    H    GLN  20           H        GLN  20  -2.596   2.410  -3.180
  138    HA   GLN  20           HA       GLN  20  -0.511   2.952  -1.103
  139   1HB   GLN  20          2HB       GLN  20  -3.500   2.573  -0.839
  140   2HB   GLN  20          3HB       GLN  20  -2.371   2.920   0.485
  141   1HG   GLN  20          2HG       GLN  20  -3.155   4.739  -1.807
  142   2HG   GLN  20          3HG       GLN  20  -3.355   5.013  -0.071
  143   1HE2  GLN  20          1HE2      GLN  20  -1.456   5.851  -2.774
  144   2HE2  GLN  20          2HE2      GLN  20  -0.072   6.443  -1.860
  145    H    CYS  21           H        CYS  21   0.560   1.144  -2.048
  146    HA   CYS  21           HA       CYS  21  -0.411  -1.592  -1.692
  147   1HB   CYS  21          2HB       CYS  21   2.288  -0.360  -2.440
  148   2HB   CYS  21          3HB       CYS  21   1.959  -2.085  -2.363
  149    H    ASP  22           H        ASP  22  -0.807  -0.437   0.730
  150    HA   ASP  22           HA       ASP  22   1.196  -1.561   2.592
  151   1HB   ASP  22          2HB       ASP  22   1.632   0.600   3.646
  152   2HB   ASP  22          3HB       ASP  22   2.065   0.674   1.938
  153    H    GLU  23           H        GLU  23   0.587  -0.718   4.916
  154    HA   GLU  23           HA       GLU  23  -1.744  -2.111   5.648
  155   1HB   GLU  23          2HB       GLU  23  -0.097  -0.168   7.311
  156   2HB   GLU  23          3HB       GLU  23  -1.136  -1.464   7.914
  157   1HG   GLU  23          2HG       GLU  23   0.346  -3.125   6.729
  158   2HG   GLU  23          3HG       GLU  23   1.444  -1.804   6.316
  159    H    LEU  24           H        LEU  24  -1.673   1.255   4.735
  160    HA   LEU  24           HA       LEU  24  -4.070   1.876   6.450
  161   1HB   LEU  24          2HB       LEU  24  -1.986   3.713   5.239
  162   2HB   LEU  24          3HB       LEU  24  -3.378   4.220   6.187
  163    HG   LEU  24           HG       LEU  24  -1.033   2.566   7.206
  164   1HD1  LEU  24          1HD1      LEU  24  -0.584   4.539   8.587
  165   2HD1  LEU  24          2HD1      LEU  24  -0.598   4.989   6.877
  166   3HD1  LEU  24          3HD1      LEU  24  -1.994   5.376   7.898
  167   1HD2  LEU  24          1HD2      LEU  24  -3.038   1.833   8.403
  168   2HD2  LEU  24          2HD2      LEU  24  -2.090   2.881   9.456
  169   3HD2  LEU  24          3HD2      LEU  24  -3.546   3.518   8.654
  170    H    CYS  25           H        CYS  25  -3.561   0.971   3.294
  171    HA   CYS  25           HA       CYS  25  -4.830   2.947   1.810
  172   1HB   CYS  25          2HB       CYS  25  -5.089   1.431   0.129
  173   2HB   CYS  25          3HB       CYS  25  -3.667   0.858   1.012
  174    H    SER  26           H        SER  26  -6.545   0.397   3.649
  175    HA   SER  26           HA       SER  26  -9.115   0.809   2.529
  176   1HB   SER  26          2HB       SER  26  -8.340  -0.273   5.255
  177   2HB   SER  26          3HB       SER  26  -9.922  -0.486   4.471
  178    HG   SER  26           HG       SER  26  -8.541  -2.287   4.131
  179    H    TYR  27           H        TYR  27  -7.471   2.940   4.558
  180    HA   TYR  27           HA       TYR  27  -9.896   4.264   5.643
  181   1HB   TYR  27          2HB       TYR  27  -8.209   3.992   7.223
  182   2HB   TYR  27          3HB       TYR  27  -6.931   4.343   6.094
  183    HD1  TYR  27           1HD      TYR  27  -9.922   6.274   7.415
  184    HD2  TYR  27           2HD      TYR  27  -5.681   6.130   6.634
  185    HE1  TYR  27           1HE      TYR  27  -9.662   8.583   8.329
  186    HE2  TYR  27           2HE      TYR  27  -5.420   8.415   7.524
  187    HH   TYR  27           HH       TYR  27  -6.484  10.238   8.458
  188    H    TYR  28           H        TYR  28  -7.870   4.437   2.843
  189    HA   TYR  28           HA       TYR  28  -8.999   7.123   2.101
  190   1HB   TYR  28          2HB       TYR  28  -6.389   5.786   1.332
  191   2HB   TYR  28          3HB       TYR  28  -7.012   7.265   0.591
  192    HD1  TYR  28           1HD      TYR  28  -5.239   5.878   3.448
  193    HD2  TYR  28           2HD      TYR  28  -7.295   9.350   1.918
  194    HE1  TYR  28           1HE      TYR  28  -4.103   7.298   5.136
  195    HE2  TYR  28           2HE      TYR  28  -6.169  10.771   3.617
  196    HH   TYR  28           HH       TYR  28  -4.705  10.838   5.375
  197    H    GLN  29           H        GLN  29  -8.914   3.801   1.182
  198    HA   GLN  29           HA       GLN  29  -9.772   2.576  -0.450
  199   1HB   GLN  29          2HB       GLN  29 -11.227   4.875  -1.740
  200   2HB   GLN  29          3HB       GLN  29 -11.634   3.167  -1.700
  201   1HG   GLN  29          2HG       GLN  29 -11.971   5.245   0.467
  202   2HG   GLN  29          3HG       GLN  29 -13.206   4.238  -0.288
  203   1HE2  GLN  29          2HE2      GLN  29 -12.069   4.676   2.631
  204   2HE2  GLN  29          1HE2      GLN  29 -11.772   3.024   3.185
  205    H    SER  30           H        SER  30  -7.443   4.724  -1.008
  206    HA   SER  30           HA       SER  30  -7.072   4.524  -3.890
  207   1HB   SER  30          2HB       SER  30  -4.876   5.736  -3.151
  208   2HB   SER  30          3HB       SER  30  -6.435   6.557  -2.941
  209    HG   SER  30           HG       SER  30  -5.206   6.737  -1.079
  210    H    CYS  31           H        CYS  31  -7.066   2.000  -2.225
  211    HA   CYS  31           HA       CYS  31  -4.486   0.946  -1.856
  212   1HB   CYS  31          2HB       CYS  31  -6.982   0.213  -1.146
  213   2HB   CYS  31          3HB       CYS  31  -6.774  -0.849  -2.557
  214    H    CYS  32           H        CYS  32  -3.442  -0.889  -2.904
  215    HA   CYS  32           HA       CYS  32  -3.015  -0.609  -5.723
  216   1HB   CYS  32          2HB       CYS  32  -1.429  -2.184  -5.477
  217   2HB   CYS  32          3HB       CYS  32  -1.617  -1.799  -3.761
  218    H    THR  33           H        THR  33  -3.511  -2.200  -7.440
  219    HA   THR  33           HA       THR  33  -6.361  -2.420  -7.593
  220    HB   THR  33           HB       THR  33  -5.868  -3.502  -9.833
  221    HG1  THR  33           1HG      THR  33  -3.885  -4.426  -9.432
  222   1HG2  THR  33          1HG2      THR  33  -6.092  -1.022  -9.485
  223   2HG2  THR  33          2HG2      THR  33  -4.327  -0.927  -9.287
  224   3HG2  THR  33          3HG2      THR  33  -5.036  -1.472 -10.827
  225    H    ASP  34           H        ASP  34  -4.153  -4.701  -6.381
  226    HA   ASP  34           HA       ASP  34  -6.125  -6.952  -6.576
  227   1HB   ASP  34          2HB       ASP  34  -3.121  -6.972  -7.106
  228   2HB   ASP  34          3HB       ASP  34  -4.157  -8.406  -7.069
  229    H    TYR  35           H        TYR  35  -5.103  -5.015  -4.368
  230    HA   TYR  35           HA       TYR  35  -3.380  -5.829  -2.573
  231   1HB   TYR  35          2HB       TYR  35  -4.766  -3.789  -2.414
  232   2HB   TYR  35          3HB       TYR  35  -6.114  -4.771  -1.832
  233    HD1  TYR  35           1HD      TYR  35  -2.808  -3.329  -1.072
  234    HD2  TYR  35           2HD      TYR  35  -6.144  -5.584   0.491
  235    HE1  TYR  35           1HE      TYR  35  -2.083  -2.800   1.229
  236    HE2  TYR  35           2HE      TYR  35  -5.423  -5.018   2.811
  237    HH   TYR  35           HH       TYR  35  -2.740  -2.731   3.388
  238    H    THR  36           H        THR  36  -6.739  -7.046  -1.974
  239    HA   THR  36           HA       THR  36  -5.780  -8.644   0.163
  240    HB   THR  36           HB       THR  36  -8.388  -9.463  -1.010
  241    HG1  THR  36           1HG      THR  36  -9.375  -7.552  -0.376
  242   1HG2  THR  36          1HG2      THR  36  -7.623 -10.123   1.289
  243   2HG2  THR  36          2HG2      THR  36  -7.514  -8.408   1.733
  244   3HG2  THR  36          3HG2      THR  36  -9.093  -9.135   1.346
  245    H    ALA  37           H        ALA  37  -5.291  -9.336  -3.043
  246    HA   ALA  37           HA       ALA  37  -4.907 -12.252  -2.467
  247   1HB   ALA  37          1HB       ALA  37  -5.528 -10.895  -5.121
  248   2HB   ALA  37          2HB       ALA  37  -5.246 -12.631  -4.869
  249   3HB   ALA  37          3HB       ALA  37  -6.667 -11.852  -4.146
  250    H    GLU  38           H        GLU  38  -3.410  -9.267  -3.588
  251    HA   GLU  38           HA       GLU  38  -0.792 -10.699  -3.943
  252   1HB   GLU  38          2HB       GLU  38  -1.959  -8.262  -5.321
  253   2HB   GLU  38          3HB       GLU  38  -0.235  -8.609  -5.333
  254   1HG   GLU  38          2HG       GLU  38  -2.377 -10.449  -6.432
  255   2HG   GLU  38          3HG       GLU  38  -1.370  -9.364  -7.379
  256    H    CYS  39           H        CYS  39  -1.979  -7.371  -2.928
  257    HA   CYS  39           HA       CYS  39   0.733  -6.925  -1.921
  258   1HB   CYS  39          2HB       CYS  39  -1.467  -4.892  -1.744
  259   2HB   CYS  39          3HB       CYS  39   0.287  -4.663  -1.882
  260    H    LYS  40           H        LYS  40  -2.001  -8.173  -0.548
  261    HA   LYS  40           HA       LYS  40  -2.516  -7.261   1.880
  262   1HB   LYS  40          2HB       LYS  40  -3.495  -9.254   0.917
  263   2HB   LYS  40          3HB       LYS  40  -1.995 -10.148   1.132
  264   1HG   LYS  40          2HG       LYS  40  -3.596 -10.807   2.802
  265   2HG   LYS  40          3HG       LYS  40  -2.237  -9.999   3.592
  266   1HD   LYS  40          2HD       LYS  40  -3.609  -7.905   3.745
  267   2HD   LYS  40          3HD       LYS  40  -4.974  -8.756   3.016
  268   1HE   LYS  40          2HE       LYS  40  -3.567  -9.539   5.616
  269   2HE   LYS  40          3HE       LYS  40  -5.030  -8.555   5.530
  270   1HZ   LYS  40          1HZ       LYS  40  -5.595 -10.859   5.944
  271   2HZ   LYS  40          2HZ       LYS  40  -6.166 -10.445   4.477
  272   3HZ   LYS  40          3HZ       LYS  40  -4.823 -11.372   4.604
  273    HA   PRO  41           HA       PRO  41   1.492  -6.846   4.058
  274   1HB   PRO  41          2HB       PRO  41  -0.636  -6.293   6.143
  275   2HB   PRO  41          3HB       PRO  41   0.961  -5.502   5.937
  276   1HG   PRO  41          2HG       PRO  41  -1.301  -4.337   4.993
  277   2HG   PRO  41          3HG       PRO  41   0.206  -4.312   4.017
  278   1HD   PRO  41          2HD       PRO  41  -2.250  -6.012   3.607
  279   2HD   PRO  41          3HD       PRO  41  -1.111  -5.337   2.434
  280    H    GLN  42           H        GLN  42   2.592  -8.048   5.596
  281    HA   GLN  42           HA       GLN  42   1.864 -10.761   6.040
  282   1HB   GLN  42          2HB       GLN  42   4.150  -9.808   5.876
  283   2HB   GLN  42          3HB       GLN  42   3.942  -9.039   7.462
  284   1HG   GLN  42          2HG       GLN  42   3.758 -11.231   8.534
  285   2HG   GLN  42          3HG       GLN  42   3.803 -12.053   6.970
  286   1HE2  GLN  42          2HE2      GLN  42   5.695 -11.935   9.489
  287   2HE2  GLN  42          1HE2      GLN  42   7.275 -11.713   8.715
  288    H    VAL  43           H        VAL  43   1.095 -11.859   7.814
  289    HA   VAL  43           HA       VAL  43  -0.045 -10.316  10.103
  290    HB   VAL  43           HB       VAL  43  -2.066 -11.790   9.944
  291   1HG1  VAL  43          1HG1      VAL  43  -2.077  -9.401   9.363
  292   2HG1  VAL  43          2HG1      VAL  43  -1.644  -9.798   7.689
  293   3HG1  VAL  43          3HG1      VAL  43  -3.200 -10.330   8.358
  294   1HG2  VAL  43          1HG2      VAL  43  -1.213 -13.458   8.271
  295   2HG2  VAL  43          2HG2      VAL  43  -2.732 -12.690   7.779
  296   3HG2  VAL  43          3HG2      VAL  43  -1.212 -12.176   7.035
  297    H    THR  44           H        THR  44   2.287 -11.465  10.423
  298    HA   THR  44           HA       THR  44   2.336 -14.028  11.672
  299    HB   THR  44           HB       THR  44   3.943 -11.521  12.332
  300    HG1  THR  44           1HG      THR  44   4.401 -13.620  10.476
  301   1HG2  THR  44          1HG2      THR  44   4.525 -14.483  12.735
  302   2HG2  THR  44          2HG2      THR  44   5.762 -13.203  12.805
  303   3HG2  THR  44          3HG2      THR  44   4.449 -13.210  13.983
  304    H    ARG  45           H        ARG  45   2.431 -14.521  13.943
  305    HA   ARG  45           HA       ARG  45   0.121 -14.034  15.345
  306   1HB   ARG  45          2HB       ARG  45   1.577 -15.964  15.639
  307   2HB   ARG  45          3HB       ARG  45   2.852 -14.960  16.316
  308   1HG   ARG  45          2HG       ARG  45   1.740 -16.276  18.039
  309   2HG   ARG  45          3HG       ARG  45   1.541 -14.548  18.332
  310   1HD   ARG  45          2HD       ARG  45  -0.788 -14.749  17.261
  311   2HD   ARG  45          3HD       ARG  45  -0.521 -16.487  17.192
  312    HE   ARG  45           HE       ARG  45  -0.876 -16.642  19.483
  313   1HH1  ARG  45          1HH2      ARG  45  -0.509 -13.209  18.752
  314   2HH1  ARG  45          2HH2      ARG  45  -1.095 -12.744  20.328
  315   1HH2  ARG  45          1HH1      ARG  45  -1.575 -15.947  21.466
  316   2HH2  ARG  45          2HH1      ARG  45  -1.663 -14.246  21.817
  317    H    GLY  46           H        GLY  46   2.864 -11.872  15.523
  318   1HA   GLY  46          2HA       GLY  46   2.680  -9.667  16.319
  319   2HA   GLY  46          3HA       GLY  46   1.278 -10.099  17.291
  320    H    ASP  47           H        ASP  47   4.122 -12.110  17.574
  321    HA   ASP  47           HA       ASP  47   4.907 -10.822  20.143
  322   1HB   ASP  47          2HB       ASP  47   5.494 -12.957  20.967
  323   2HB   ASP  47          3HB       ASP  47   3.899 -13.133  20.247
  324    H    VAL  48           H        VAL  48   5.819 -10.527  17.215
  325    HA   VAL  48           HA       VAL  48   8.613  -9.952  17.784
  326    HB   VAL  48           HB       VAL  48   8.772 -12.311  17.134
  327   1HG1  VAL  48          1HG1      VAL  48   6.801 -12.526  15.650
  328   2HG1  VAL  48          2HG1      VAL  48   7.623 -11.543  14.419
  329   3HG1  VAL  48          3HG1      VAL  48   8.284 -13.117  14.894
  330   1HG2  VAL  48          1HG2      VAL  48  10.489 -12.125  15.467
  331   2HG2  VAL  48          2HG2      VAL  48   9.887 -10.554  14.920
  332   3HG2  VAL  48          3HG2      VAL  48  10.596 -10.729  16.546
  333    H    PHE  49           H        PHE  49   9.379  -8.309  16.501
  334    HA   PHE  49           HA       PHE  49   7.580  -7.156  14.406
  335   1HB   PHE  49          2HB       PHE  49   8.752  -5.718  16.818
  336   2HB   PHE  49          3HB       PHE  49   7.821  -4.964  15.520
  337    HD1  PHE  49           1HD      PHE  49   7.616  -6.798  18.661
  338    HD2  PHE  49           2HD      PHE  49   5.398  -5.608  15.157
  339    HE1  PHE  49           1HE      PHE  49   5.483  -7.287  19.841
  340    HE2  PHE  49           2HE      PHE  49   3.268  -6.090  16.344
  341    HZ   PHE  49           HZ       PHE  49   3.310  -6.928  18.687
  342    H    THR  50           H        THR  50  10.558  -8.350  14.708
  343    HA   THR  50           HA       THR  50  12.205  -6.249  13.522
  344    HB   THR  50           HB       THR  50  13.859  -8.143  13.300
  345    HG1  THR  50           1HG      THR  50  13.306 -10.079  14.296
  346   1HG2  THR  50          1HG2      THR  50  13.776  -6.720  15.338
  347   2HG2  THR  50          2HG2      THR  50  12.630  -7.859  16.079
  348   3HG2  THR  50          3HG2      THR  50  14.283  -8.381  15.687
  349    H    MET  51           H        MET  51   9.752  -7.995  12.181
  350    HA   MET  51           HA       MET  51  10.827  -7.847   9.413
  351   1HB   MET  51          2HB       MET  51  11.111 -10.180  10.294
  352   2HB   MET  51          3HB       MET  51   9.367 -10.257  10.584
  353   1HG   MET  51          2HG       MET  51   8.980  -9.876   8.143
  354   2HG   MET  51          3HG       MET  51  10.738  -9.852   7.898
  355   1HE   MET  51          1HE       MET  51   8.962 -11.665   6.134
  356   2HE   MET  51          2HE       MET  51  10.738 -11.695   6.074
  357   3HE   MET  51          3HE       MET  51   9.828 -13.216   6.196
  Start of MODEL   17
    1   1H    ASP   1          1H        ASP   1   3.724  -4.380 -21.029
    2   2H    ASP   1          2H        ASP   1   3.041  -5.828 -21.371
    3   3H    ASP   1          3H        ASP   1   2.095  -4.549 -20.968
    4    HA   ASP   1           HA       ASP   1   2.302  -6.114 -19.132
    5   1HB   ASP   1          2HB       ASP   1   4.418  -6.417 -18.011
    6   2HB   ASP   1          3HB       ASP   1   4.587  -6.891 -19.705
    7    H    GLN   2           H        GLN   2   2.528  -5.394 -16.853
    8    HA   GLN   2           HA       GLN   2   2.696  -2.468 -16.407
    9   1HB   GLN   2          2HB       GLN   2   0.282  -4.166 -15.609
   10   2HB   GLN   2          3HB       GLN   2   0.588  -2.508 -15.136
   11   1HG   GLN   2          2HG       GLN   2  -0.972  -2.257 -16.810
   12   2HG   GLN   2          3HG       GLN   2   0.547  -1.900 -17.619
   13   1HE2  GLN   2          2HE2      GLN   2  -0.788  -2.321 -19.616
   14   2HE2  GLN   2          1HE2      GLN   2  -1.043  -3.997 -20.107
   15    H    GLU   3           H        GLU   3   2.814  -1.936 -14.097
   16    HA   GLU   3           HA       GLU   3   4.367  -3.827 -12.512
   17   1HB   GLU   3          2HB       GLU   3   3.174  -1.082 -11.945
   18   2HB   GLU   3          3HB       GLU   3   4.006  -2.042 -10.712
   19   1HG   GLU   3          2HG       GLU   3   6.013  -2.168 -12.242
   20   2HG   GLU   3          3HG       GLU   3   5.212  -0.992 -13.292
   21    H    SER   4           H        SER   4   3.874  -4.402 -10.339
   22    HA   SER   4           HA       SER   4   1.137  -4.421  -9.325
   23   1HB   SER   4          2HB       SER   4   0.925  -6.762  -8.979
   24   2HB   SER   4          3HB       SER   4   1.325  -6.566 -10.697
   25    HG   SER   4           HG       SER   4   3.493  -7.091 -10.181
   26    H    CYS   5           H        CYS   5   1.291  -5.592  -7.038
   27    HA   CYS   5           HA       CYS   5   3.275  -4.157  -5.541
   28   1HB   CYS   5          2HB       CYS   5   0.942  -4.704  -4.934
   29   2HB   CYS   5          3HB       CYS   5   1.429  -6.383  -4.625
   30    H    LYS   6           H        LYS   6   3.661  -7.127  -7.187
   31    HA   LYS   6           HA       LYS   6   5.149  -8.607  -5.200
   32   1HB   LYS   6          2HB       LYS   6   4.946  -8.909  -8.212
   33   2HB   LYS   6          3HB       LYS   6   5.801 -10.039  -7.137
   34   1HG   LYS   6          2HG       LYS   6   3.699 -10.321  -5.804
   35   2HG   LYS   6          3HG       LYS   6   2.831  -9.327  -6.982
   36   1HD   LYS   6          2HD       LYS   6   4.221 -11.972  -7.528
   37   2HD   LYS   6          3HD       LYS   6   2.495 -11.739  -7.301
   38   1HE   LYS   6          2HE       LYS   6   4.181 -10.643  -9.600
   39   2HE   LYS   6          3HE       LYS   6   3.066 -12.010  -9.671
   40   1HZ   LYS   6          1HZ       LYS   6   1.264 -10.380  -9.030
   41   2HZ   LYS   6          2HZ       LYS   6   2.344  -9.164  -9.267
   42   3HZ   LYS   6          3HZ       LYS   6   1.921 -10.126 -10.510
   43    H    GLY   7           H        GLY   7   6.798  -7.764  -4.319
   44   1HA   GLY   7          2HA       GLY   7   9.182  -7.297  -4.273
   45   2HA   GLY   7          3HA       GLY   7   9.069  -6.588  -5.889
   46    H    ARG   8           H        ARG   8   6.443  -5.563  -3.940
   47    HA   ARG   8           HA       ARG   8   7.799  -3.004  -3.136
   48   1HB   ARG   8          2HB       ARG   8   5.161  -3.290  -4.629
   49   2HB   ARG   8          3HB       ARG   8   5.831  -1.803  -3.975
   50   1HG   ARG   8          2HG       ARG   8   7.875  -2.176  -5.470
   51   2HG   ARG   8          3HG       ARG   8   6.967  -3.489  -6.229
   52   1HD   ARG   8          2HD       ARG   8   6.754  -1.516  -7.590
   53   2HD   ARG   8          3HD       ARG   8   5.175  -1.860  -6.854
   54    HE   ARG   8           HE       ARG   8   6.291  -0.099  -5.057
   55   1HH1  ARG   8          1HH2      ARG   8   5.999   0.330  -8.587
   56   2HH1  ARG   8          2HH2      ARG   8   5.827   2.046  -8.360
   57   1HH2  ARG   8          1HH1      ARG   8   6.158   1.907  -4.926
   58   2HH2  ARG   8          2HH1      ARG   8   5.951   2.970  -6.323
   59    H    CYS   9           H        CYS   9   4.882  -5.078  -2.508
   60    HA   CYS   9           HA       CYS   9   3.496  -3.774  -0.774
   61   1HB   CYS   9          2HB       CYS   9   4.384  -6.595  -0.116
   62   2HB   CYS   9          3HB       CYS   9   2.832  -5.828   0.254
   63    H    THR  10           H        THR  10   3.197  -3.174   1.208
   64    HA   THR  10           HA       THR  10   3.544  -2.261   3.202
   65    HB   THR  10           HB       THR  10   5.126  -2.901   4.859
   66    HG1  THR  10           1HG      THR  10   6.292  -4.354   2.776
   67   1HG2  THR  10          1HG2      THR  10   4.430  -5.210   5.195
   68   2HG2  THR  10          2HG2      THR  10   3.084  -4.222   4.608
   69   3HG2  THR  10          3HG2      THR  10   3.918  -5.337   3.498
   70    H    GLU  11           H        GLU  11   4.204  -1.052   0.879
   71    HA   GLU  11           HA       GLU  11   6.620   0.426   0.789
   72   1HB   GLU  11          2HB       GLU  11   3.776   1.116  -0.018
   73   2HB   GLU  11          3HB       GLU  11   5.134   2.155  -0.414
   74   1HG   GLU  11          2HG       GLU  11   4.895  -0.716  -1.367
   75   2HG   GLU  11          3HG       GLU  11   4.252   0.675  -2.225
   76    H    GLY  12           H        GLY  12   3.907   0.845   2.956
   77   1HA   GLY  12          2HA       GLY  12   3.589   2.332   4.728
   78   2HA   GLY  12          3HA       GLY  12   5.059   3.218   4.284
   79    H    PHE  13           H        PHE  13   2.516   4.402   4.943
   80    HA   PHE  13           HA       PHE  13   0.955   4.989   2.631
   81   1HB   PHE  13          2HB       PHE  13   0.041   5.037   4.853
   82   2HB   PHE  13          3HB       PHE  13   1.173   6.304   5.357
   83    HD1  PHE  13           1HD      PHE  13  -0.957   6.029   2.240
   84    HD2  PHE  13           2HD      PHE  13  -0.233   8.089   5.972
   85    HE1  PHE  13           1HE      PHE  13  -2.812   7.569   1.762
   86    HE2  PHE  13           2HE      PHE  13  -2.056   9.690   5.436
   87    HZ   PHE  13           HZ       PHE  13  -3.364   9.422   3.335
   88    H    ASN  14           H        ASN  14   1.232   6.371   1.016
   89    HA   ASN  14           HA       ASN  14   2.286   9.052   1.420
   90   1HB   ASN  14          2HB       ASN  14   4.366   7.693   1.012
   91   2HB   ASN  14          3HB       ASN  14   3.741   7.271  -0.589
   92   1HD2  ASN  14          2HD2      ASN  14   6.182   8.603  -0.266
   93   2HD2  ASN  14          1HD2      ASN  14   6.004  10.281  -0.775
   94    H    VAL  15           H        VAL  15   0.068   9.401   0.977
   95    HA   VAL  15           HA       VAL  15  -1.425   8.317  -1.070
   96    HB   VAL  15           HB       VAL  15  -2.059   9.600   1.029
   97   1HG1  VAL  15          1HG1      VAL  15  -2.831  11.799   0.937
   98   2HG1  VAL  15          2HG1      VAL  15  -1.115  11.778   0.509
   99   3HG1  VAL  15          3HG1      VAL  15  -2.344  11.981  -0.770
  100   1HG2  VAL  15          1HG2      VAL  15  -3.822   9.934  -1.398
  101   2HG2  VAL  15          2HG2      VAL  15  -3.650   8.452  -0.423
  102   3HG2  VAL  15          3HG2      VAL  15  -4.321   9.914   0.308
  103    H    ASP  16           H        ASP  16   0.958  10.665  -1.650
  104    HA   ASP  16           HA       ASP  16  -0.052  11.828  -4.101
  105   1HB   ASP  16          2HB       ASP  16   1.771  12.757  -2.672
  106   2HB   ASP  16          3HB       ASP  16   2.772  11.362  -3.093
  107    H    LYS  17           H        LYS  17   1.304   8.680  -3.351
  108    HA   LYS  17           HA       LYS  17   2.308   8.248  -6.099
  109   1HB   LYS  17          2HB       LYS  17   2.542   6.400  -3.701
  110   2HB   LYS  17          3HB       LYS  17   3.493   6.362  -5.194
  111   1HG   LYS  17          2HG       LYS  17   3.590   8.451  -2.988
  112   2HG   LYS  17          3HG       LYS  17   4.844   7.287  -3.422
  113   1HD   LYS  17          2HD       LYS  17   5.269   8.460  -5.533
  114   2HD   LYS  17          3HD       LYS  17   3.901   9.559  -5.235
  115   1HE   LYS  17          2HE       LYS  17   5.013  10.272  -3.092
  116   2HE   LYS  17          3HE       LYS  17   6.450   9.361  -3.595
  117   1HZ   LYS  17          1HZ       LYS  17   6.610  11.694  -4.264
  118   2HZ   LYS  17          2HZ       LYS  17   6.473  10.792  -5.622
  119   3HZ   LYS  17          3HZ       LYS  17   5.176  11.628  -5.051
  120    H    LYS  18           H        LYS  18   2.062   6.317  -7.245
  121    HA   LYS  18           HA       LYS  18  -0.618   5.998  -7.980
  122   1HB   LYS  18          2HB       LYS  18   1.335   5.900  -9.473
  123   2HB   LYS  18          3HB       LYS  18   1.794   4.336  -8.790
  124   1HG   LYS  18          2HG       LYS  18   0.748   4.077 -10.971
  125   2HG   LYS  18          3HG       LYS  18  -0.281   3.340  -9.734
  126   1HD   LYS  18          2HD       LYS  18  -1.690   5.417  -9.728
  127   2HD   LYS  18          3HD       LYS  18  -0.665   6.094 -11.010
  128   1HE   LYS  18          2HE       LYS  18  -1.250   4.189 -12.488
  129   2HE   LYS  18          3HE       LYS  18  -2.259   3.497 -11.211
  130   1HZ   LYS  18          1HZ       LYS  18  -3.666   5.485 -11.335
  131   2HZ   LYS  18          2HZ       LYS  18  -2.732   6.130 -12.512
  132   3HZ   LYS  18          3HZ       LYS  18  -3.587   4.770 -12.800
  133    H    CYS  19           H        CYS  19   1.136   3.915  -5.777
  134    HA   CYS  19           HA       CYS  19  -1.446   2.512  -5.291
  135   1HB   CYS  19          2HB       CYS  19  -0.089   0.875  -6.557
  136   2HB   CYS  19          3HB       CYS  19   1.231   1.076  -5.392
  137    H    GLN  20           H        GLN  20  -2.002   2.453  -3.276
  138    HA   GLN  20           HA       GLN  20  -0.059   3.063  -1.095
  139   1HB   GLN  20          2HB       GLN  20  -3.079   2.810  -1.021
  140   2HB   GLN  20          3HB       GLN  20  -2.004   3.387   0.268
  141   1HG   GLN  20          2HG       GLN  20  -2.549   4.785  -2.392
  142   2HG   GLN  20          3HG       GLN  20  -2.974   5.376  -0.796
  143   1HE2  GLN  20          2HE2      GLN  20  -0.850   6.058  -3.248
  144   2HE2  GLN  20          1HE2      GLN  20   0.432   6.677  -2.205
  145    H    CYS  21           H        CYS  21   0.923   1.079  -1.789
  146    HA   CYS  21           HA       CYS  21  -0.434  -1.522  -1.418
  147   1HB   CYS  21          2HB       CYS  21   2.319  -0.578  -2.327
  148   2HB   CYS  21          3HB       CYS  21   1.946  -2.278  -2.049
  149    H    ASP  22           H        ASP  22  -0.699  -0.358   0.917
  150    HA   ASP  22           HA       ASP  22   1.236  -1.572   2.800
  151   1HB   ASP  22          2HB       ASP  22   1.839   0.460   3.812
  152   2HB   ASP  22          3HB       ASP  22   1.986   0.776   2.081
  153    H    GLU  23           H        GLU  23   0.628  -0.882   5.100
  154    HA   GLU  23           HA       GLU  23  -1.637  -2.363   5.756
  155   1HB   GLU  23          2HB       GLU  23  -0.062  -0.438   7.511
  156   2HB   GLU  23          3HB       GLU  23  -1.052  -1.797   8.057
  157   1HG   GLU  23          2HG       GLU  23   0.471  -3.363   6.820
  158   2HG   GLU  23          3HG       GLU  23   1.493  -1.993   6.372
  159    H    LEU  24           H        LEU  24  -1.625   1.164   5.258
  160    HA   LEU  24           HA       LEU  24  -4.139   1.435   6.866
  161   1HB   LEU  24          2HB       LEU  24  -2.379   3.568   5.621
  162   2HB   LEU  24          3HB       LEU  24  -3.751   3.828   6.696
  163    HG   LEU  24           HG       LEU  24  -1.069   2.619   7.383
  164   1HD1  LEU  24          1HD1      LEU  24  -0.866   4.565   8.854
  165   2HD1  LEU  24          2HD1      LEU  24  -1.146   5.072   7.180
  166   3HD1  LEU  24          3HD1      LEU  24  -2.477   5.133   8.357
  167   1HD2  LEU  24          1HD2      LEU  24  -1.893   2.561   9.748
  168   2HD2  LEU  24          2HD2      LEU  24  -3.529   2.944   9.161
  169   3HD2  LEU  24          3HD2      LEU  24  -2.743   1.413   8.714
  170    H    CYS  25           H        CYS  25  -3.448   0.736   3.676
  171    HA   CYS  25           HA       CYS  25  -4.762   2.699   2.282
  172   1HB   CYS  25          2HB       CYS  25  -4.482   1.424   0.387
  173   2HB   CYS  25          3HB       CYS  25  -3.192   0.942   1.497
  174    H    SER  26           H        SER  26  -6.500   0.268   3.995
  175    HA   SER  26           HA       SER  26  -8.977   0.570   2.498
  176   1HB   SER  26          2HB       SER  26  -8.364  -1.418   3.833
  177   2HB   SER  26          3HB       SER  26  -8.519  -0.457   5.322
  178    HG   SER  26           HG       SER  26 -10.431  -1.658   4.794
  179    H    TYR  27           H        TYR  27  -7.485   2.434   5.119
  180    HA   TYR  27           HA       TYR  27  -9.923   3.723   6.024
  181   1HB   TYR  27          2HB       TYR  27  -8.452   3.793   7.706
  182   2HB   TYR  27          3HB       TYR  27  -7.051   3.770   6.675
  183    HD1  TYR  27           1HD      TYR  27  -5.679   5.617   6.522
  184    HD2  TYR  27           2HD      TYR  27  -9.751   6.139   7.836
  185    HE1  TYR  27           1HE      TYR  27  -5.247   8.054   6.864
  186    HE2  TYR  27           2HE      TYR  27  -9.299   8.550   8.267
  187    HH   TYR  27           HH       TYR  27  -7.772  10.253   8.162
  188    H    TYR  28           H        TYR  28  -7.600   4.507   3.479
  189    HA   TYR  28           HA       TYR  28  -9.343   6.796   2.655
  190   1HB   TYR  28          2HB       TYR  28  -7.246   7.774   1.642
  191   2HB   TYR  28          3HB       TYR  28  -7.363   7.754   3.400
  192    HD1  TYR  28           1HD      TYR  28  -5.534   6.966   4.658
  193    HD2  TYR  28           2HD      TYR  28  -5.983   5.685   0.580
  194    HE1  TYR  28           1HE      TYR  28  -3.513   5.572   4.895
  195    HE2  TYR  28           2HE      TYR  28  -3.951   4.301   0.815
  196    HH   TYR  28           HH       TYR  28  -2.196   3.594   2.233
  197    H    GLN  29           H        GLN  29  -9.145   3.782   1.873
  198    HA   GLN  29           HA       GLN  29  -9.481   2.475   0.067
  199   1HB   GLN  29          2HB       GLN  29 -11.231   4.794  -0.817
  200   2HB   GLN  29          3HB       GLN  29 -11.397   3.095  -1.243
  201   1HG   GLN  29          2HG       GLN  29 -13.027   3.348   0.368
  202   2HG   GLN  29          3HG       GLN  29 -11.695   2.626   1.275
  203   1HE2  GLN  29          2HE2      GLN  29 -11.575   3.570   3.304
  204   2HE2  GLN  29          1HE2      GLN  29 -11.831   5.289   3.615
  205    H    SER  30           H        SER  30  -7.019   3.354  -0.461
  206    HA   SER  30           HA       SER  30  -7.009   3.874  -3.429
  207   1HB   SER  30          2HB       SER  30  -5.170   5.161  -1.395
  208   2HB   SER  30          3HB       SER  30  -5.060   5.334  -3.157
  209    HG   SER  30           HG       SER  30  -7.292   6.118  -1.557
  210    H    CYS  31           H        CYS  31  -6.629   1.347  -1.831
  211    HA   CYS  31           HA       CYS  31  -3.934   0.447  -1.945
  212   1HB   CYS  31          2HB       CYS  31  -6.382  -1.273  -2.399
  213   2HB   CYS  31          3HB       CYS  31  -4.845  -1.682  -1.621
  214    H    CYS  32           H        CYS  32  -2.967  -1.198  -3.421
  215    HA   CYS  32           HA       CYS  32  -3.064  -0.948  -6.155
  216   1HB   CYS  32          2HB       CYS  32  -2.569  -3.633  -5.966
  217   2HB   CYS  32          3HB       CYS  32  -1.379  -2.384  -5.705
  218    H    THR  33           H        THR  33  -3.897  -2.181  -7.874
  219    HA   THR  33           HA       THR  33  -6.685  -2.231  -8.029
  220    HB   THR  33           HB       THR  33  -6.335  -3.469 -10.200
  221    HG1  THR  33           1HG      THR  33  -4.198  -3.811 -10.815
  222   1HG2  THR  33          1HG2      THR  33  -6.212  -0.989 -10.073
  223   2HG2  THR  33          2HG2      THR  33  -4.467  -1.095  -9.754
  224   3HG2  THR  33          3HG2      THR  33  -5.129  -1.659 -11.303
  225    H    ASP  34           H        ASP  34  -4.708  -4.867  -6.900
  226    HA   ASP  34           HA       ASP  34  -7.182  -6.377  -6.329
  227   1HB   ASP  34          2HB       ASP  34  -6.088  -7.186  -8.499
  228   2HB   ASP  34          3HB       ASP  34  -4.743  -7.758  -7.504
  229    H    TYR  35           H        TYR  35  -5.604  -4.727  -4.662
  230    HA   TYR  35           HA       TYR  35  -3.656  -5.537  -3.062
  231   1HB   TYR  35          2HB       TYR  35  -4.703  -3.460  -2.682
  232   2HB   TYR  35          3HB       TYR  35  -6.244  -4.226  -2.294
  233    HD1  TYR  35           1HD      TYR  35  -2.823  -3.430  -0.964
  234    HD2  TYR  35           2HD      TYR  35  -6.744  -5.070  -0.111
  235    HE1  TYR  35           1HE      TYR  35  -2.364  -3.316   1.472
  236    HE2  TYR  35           2HE      TYR  35  -6.268  -4.930   2.317
  237    HH   TYR  35           HH       TYR  35  -4.793  -4.279   3.927
  238    H    THR  36           H        THR  36  -6.955  -6.742  -2.240
  239    HA   THR  36           HA       THR  36  -6.020  -8.204  -0.027
  240    HB   THR  36           HB       THR  36  -8.534  -9.111  -1.388
  241    HG1  THR  36           1HG      THR  36  -9.589  -7.249  -0.710
  242   1HG2  THR  36          1HG2      THR  36  -7.828  -8.232   1.458
  243   2HG2  THR  36          2HG2      THR  36  -9.411  -8.858   0.937
  244   3HG2  THR  36          3HG2      THR  36  -7.991  -9.910   0.897
  245    H    ALA  37           H        ALA  37  -5.604  -9.106  -3.293
  246    HA   ALA  37           HA       ALA  37  -5.042 -11.942  -2.488
  247   1HB   ALA  37          1HB       ALA  37  -6.977 -11.765  -3.995
  248   2HB   ALA  37          2HB       ALA  37  -5.981 -10.886  -5.177
  249   3HB   ALA  37          3HB       ALA  37  -5.609 -12.576  -4.783
  250    H    GLU  38           H        GLU  38  -3.809  -9.117  -4.306
  251    HA   GLU  38           HA       GLU  38  -1.307 -10.609  -4.964
  252   1HB   GLU  38          2HB       GLU  38  -2.531  -8.003  -5.928
  253   2HB   GLU  38          3HB       GLU  38  -0.883  -8.487  -6.340
  254   1HG   GLU  38          2HG       GLU  38  -3.352 -10.149  -6.981
  255   2HG   GLU  38          3HG       GLU  38  -2.573  -9.027  -8.094
  256    H    CYS  39           H        CYS  39  -2.362  -8.106  -2.738
  257    HA   CYS  39           HA       CYS  39   0.495  -7.414  -2.211
  258   1HB   CYS  39          2HB       CYS  39  -1.785  -5.605  -1.556
  259   2HB   CYS  39          3HB       CYS  39  -0.123  -5.200  -1.785
  260    H    LYS  40           H        LYS  40  -2.496  -8.299  -0.705
  261    HA   LYS  40           HA       LYS  40  -2.900  -7.554   1.628
  262   1HB   LYS  40          2HB       LYS  40  -3.928  -9.503   0.633
  263   2HB   LYS  40          3HB       LYS  40  -2.608 -10.524   1.219
  264   1HG   LYS  40          2HG       LYS  40  -3.207 -10.020   3.551
  265   2HG   LYS  40          3HG       LYS  40  -4.361  -8.784   3.024
  266   1HD   LYS  40          2HD       LYS  40  -5.505 -10.840   3.736
  267   2HD   LYS  40          3HD       LYS  40  -5.823 -10.438   2.056
  268   1HE   LYS  40          2HE       LYS  40  -5.529 -12.816   2.225
  269   2HE   LYS  40          3HE       LYS  40  -4.183 -12.144   1.309
  270   1HZ   LYS  40          1HZ       LYS  40  -3.438 -13.768   2.968
  271   2HZ   LYS  40          2HZ       LYS  40  -2.820 -12.305   3.340
  272   3HZ   LYS  40          3HZ       LYS  40  -4.086 -12.904   4.188
  273    HA   PRO  41           HA       PRO  41   0.887  -7.855   4.228
  274   1HB   PRO  41          2HB       PRO  41   0.805  -5.383   5.288
  275   2HB   PRO  41          3HB       PRO  41   1.288  -5.620   3.582
  276   1HG   PRO  41          2HG       PRO  41  -1.433  -4.805   4.638
  277   2HG   PRO  41          3HG       PRO  41  -0.476  -4.044   3.326
  278   1HD   PRO  41          2HD       PRO  41  -2.458  -5.970   2.957
  279   2HD   PRO  41          3HD       PRO  41  -1.130  -5.682   1.797
  280    H    GLN  42           H        GLN  42   0.687  -6.904   6.778
  281    HA   GLN  42           HA       GLN  42  -1.212  -8.470   8.191
  282   1HB   GLN  42          2HB       GLN  42   0.855  -7.518   9.153
  283   2HB   GLN  42          3HB       GLN  42   0.162  -5.885   9.043
  284   1HG   GLN  42          2HG       GLN  42  -1.646  -6.549  10.603
  285   2HG   GLN  42          3HG       GLN  42  -0.982  -8.183  10.706
  286   1HE2  GLN  42          2HE2      GLN  42  -1.367  -5.826  12.712
  287   2HE2  GLN  42          1HE2      GLN  42   0.224  -5.738  13.481
  288    H    VAL  43           H        VAL  43  -3.275  -8.168   8.815
  289    HA   VAL  43           HA       VAL  43  -4.726  -5.667   8.110
  290    HB   VAL  43           HB       VAL  43  -4.721  -7.267   6.238
  291   1HG1  VAL  43          1HG1      VAL  43  -6.054  -9.287   6.245
  292   2HG1  VAL  43          2HG1      VAL  43  -4.760  -9.411   7.441
  293   3HG1  VAL  43          3HG1      VAL  43  -6.430  -9.093   7.965
  294   1HG2  VAL  43          1HG2      VAL  43  -7.013  -7.068   5.625
  295   2HG2  VAL  43          2HG2      VAL  43  -7.523  -6.836   7.303
  296   3HG2  VAL  43          3HG2      VAL  43  -6.521  -5.607   6.498
  297    H    THR  44           H        THR  44  -3.885  -6.352  10.613
  298    HA   THR  44           HA       THR  44  -5.908  -7.484  12.327
  299    HB   THR  44           HB       THR  44  -4.609  -6.106  14.092
  300    HG1  THR  44           1HG      THR  44  -3.647  -4.600  12.721
  301   1HG2  THR  44          1HG2      THR  44  -2.684  -7.625  14.024
  302   2HG2  THR  44          2HG2      THR  44  -4.187  -8.498  13.685
  303   3HG2  THR  44          3HG2      THR  44  -3.083  -8.092  12.355
  304    H    ARG  45           H        ARG  45  -7.039  -6.275  14.010
  305    HA   ARG  45           HA       ARG  45  -8.983  -4.547  12.995
  306   1HB   ARG  45          2HB       ARG  45  -9.739  -4.290  15.292
  307   2HB   ARG  45          3HB       ARG  45  -9.263  -5.957  14.984
  308   1HG   ARG  45          2HG       ARG  45  -7.099  -5.567  16.157
  309   2HG   ARG  45          3HG       ARG  45  -7.568  -3.878  16.457
  310   1HD   ARG  45          2HD       ARG  45  -9.532  -4.655  17.742
  311   2HD   ARG  45          3HD       ARG  45  -9.042  -6.340  17.473
  312    HE   ARG  45           HE       ARG  45  -6.803  -5.117  18.593
  313   1HH1  ARG  45          1HH2      ARG  45 -10.088  -5.644  19.695
  314   2HH1  ARG  45          2HH2      ARG  45  -9.622  -5.621  21.374
  315   1HH2  ARG  45          1HH1      ARG  45  -6.279  -5.111  20.752
  316   2HH2  ARG  45          2HH1      ARG  45  -7.520  -5.340  21.947
  317    H    GLY  46           H        GLY  46  -9.625  -2.425  13.459
  318   1HA   GLY  46          2HA       GLY  46  -7.528  -0.426  13.194
  319   2HA   GLY  46          3HA       GLY  46  -9.271  -0.156  13.202
  320    H    ASP  47           H        ASP  47  -8.782  -1.826  16.000
  321    HA   ASP  47           HA       ASP  47  -8.992   0.505  17.678
  322   1HB   ASP  47          2HB       ASP  47 -10.152  -1.755  17.960
  323   2HB   ASP  47          3HB       ASP  47  -8.601  -2.400  18.496
  324    H    VAL  48           H        VAL  48  -6.347  -0.489  16.298
  325    HA   VAL  48           HA       VAL  48  -4.474   0.525  18.355
  326    HB   VAL  48           HB       VAL  48  -2.822  -1.259  17.853
  327   1HG1  VAL  48          1HG1      VAL  48  -5.383  -2.372  19.053
  328   2HG1  VAL  48          2HG1      VAL  48  -3.727  -2.954  19.320
  329   3HG1  VAL  48          3HG1      VAL  48  -4.203  -1.351  19.904
  330   1HG2  VAL  48          1HG2      VAL  48  -3.742  -2.118  15.707
  331   2HG2  VAL  48          2HG2      VAL  48  -3.502  -3.400  16.899
  332   3HG2  VAL  48          3HG2      VAL  48  -5.135  -2.787  16.581
  333    H    PHE  49           H        PHE  49  -2.427   1.211  17.484
  334    HA   PHE  49           HA       PHE  49  -2.275   1.581  14.537
  335   1HB   PHE  49          2HB       PHE  49  -3.490   3.494  15.754
  336   2HB   PHE  49          3HB       PHE  49  -1.929   3.890  16.477
  337    HD1  PHE  49           1HD      PHE  49  -3.587   3.269  13.145
  338    HD2  PHE  49           2HD      PHE  49  -0.533   5.427  15.294
  339    HE1  PHE  49           1HE      PHE  49  -3.081   4.593  11.103
  340    HE2  PHE  49           2HE      PHE  49  -0.031   6.748  13.251
  341    HZ   PHE  49           HZ       PHE  49  -1.300   6.328  11.151
  342    H    THR  50           H        THR  50  -0.736   0.042  16.715
  343    HA   THR  50           HA       THR  50   1.899   1.098  16.954
  344    HB   THR  50           HB       THR  50   1.093  -1.835  16.882
  345    HG1  THR  50           1HG      THR  50   0.797  -1.573  19.106
  346   1HG2  THR  50          1HG2      THR  50   3.544  -1.458  16.932
  347   2HG2  THR  50          2HG2      THR  50   3.354  -0.359  18.319
  348   3HG2  THR  50          3HG2      THR  50   2.974  -2.091  18.481
  349    H    MET  51           H        MET  51   3.335   1.486  15.401
  350    HA   MET  51           HA       MET  51   3.726  -0.327  13.080
  351   1HB   MET  51          2HB       MET  51   3.216   2.674  12.865
  352   2HB   MET  51          3HB       MET  51   3.851   1.657  11.569
  353   1HG   MET  51          2HG       MET  51   1.768   0.291  11.630
  354   2HG   MET  51          3HG       MET  51   1.132   1.360  12.888
  355   1HE   MET  51          1HE       MET  51   1.762   0.789   9.118
  356   2HE   MET  51          2HE       MET  51   1.594   2.408   8.406
  357   3HE   MET  51          3HE       MET  51   3.020   2.016   9.390
  Start of MODEL   18
    1   1H    ASP   1          1H        ASP   1  -4.143   5.601 -14.607
    2   2H    ASP   1          2H        ASP   1  -5.039   4.234 -14.473
    3   3H    ASP   1          3H        ASP   1  -4.610   5.057 -13.130
    4    HA   ASP   1           HA       ASP   1  -2.765   3.670 -14.952
    5   1HB   ASP   1          2HB       ASP   1  -2.074   5.855 -13.585
    6   2HB   ASP   1          3HB       ASP   1  -1.925   4.706 -12.248
    7    H    GLN   2           H        GLN   2  -1.541   1.891 -13.683
    8    HA   GLN   2           HA       GLN   2  -3.254   0.469 -11.688
    9   1HB   GLN   2          2HB       GLN   2  -2.244  -0.717 -14.310
   10   2HB   GLN   2          3HB       GLN   2  -2.879  -1.658 -12.958
   11   1HG   GLN   2          2HG       GLN   2  -5.070  -0.527 -13.167
   12   2HG   GLN   2          3HG       GLN   2  -4.458   0.433 -14.517
   13   1HE2  GLN   2          2HE2      GLN   2  -4.423  -0.501 -16.613
   14   2HE2  GLN   2          1HE2      GLN   2  -4.963  -2.155 -16.898
   15    H    GLU   3           H        GLU   3  -2.082  -0.526 -10.115
   16    HA   GLU   3           HA       GLU   3   0.758  -1.152 -10.404
   17   1HB   GLU   3          2HB       GLU   3   0.734   1.345 -10.175
   18   2HB   GLU   3          3HB       GLU   3  -0.061   1.178  -8.608
   19   1HG   GLU   3          2HG       GLU   3   1.919   0.012  -7.719
   20   2HG   GLU   3          3HG       GLU   3   2.649  -0.033  -9.321
   21    H    SER   4           H        SER   4   1.569  -2.414  -8.695
   22    HA   SER   4           HA       SER   4  -0.126  -3.150  -6.432
   23   1HB   SER   4          2HB       SER   4  -1.056  -4.290  -8.555
   24   2HB   SER   4          3HB       SER   4   0.398  -5.314  -8.481
   25    HG   SER   4           HG       SER   4  -1.410  -6.182  -7.333
   26    H    CYS   5           H        CYS   5   0.734  -5.400  -5.656
   27    HA   CYS   5           HA       CYS   5   2.744  -4.893  -3.941
   28   1HB   CYS   5          2HB       CYS   5   1.051  -6.647  -3.872
   29   2HB   CYS   5          3HB       CYS   5   1.900  -7.551  -5.111
   30    H    LYS   6           H        LYS   6   3.521  -6.110  -7.208
   31    HA   LYS   6           HA       LYS   6   5.876  -7.476  -6.402
   32   1HB   LYS   6          2HB       LYS   6   4.879  -6.474  -9.075
   33   2HB   LYS   6          3HB       LYS   6   6.460  -7.270  -8.921
   34   1HG   LYS   6          2HG       LYS   6   5.470  -9.249  -7.934
   35   2HG   LYS   6          3HG       LYS   6   3.853  -8.524  -7.946
   36   1HD   LYS   6          2HD       LYS   6   5.511  -8.976 -10.446
   37   2HD   LYS   6          3HD       LYS   6   4.431 -10.205  -9.803
   38   1HE   LYS   6          2HE       LYS   6   3.470  -7.397 -10.507
   39   2HE   LYS   6          3HE       LYS   6   3.531  -8.703 -11.692
   40   1HZ   LYS   6          1HZ       LYS   6   1.950  -8.824  -9.159
   41   2HZ   LYS   6          2HZ       LYS   6   1.343  -8.561 -10.654
   42   3HZ   LYS   6          3HZ       LYS   6   2.033  -9.994 -10.296
   43    H    GLY   7           H        GLY   7   7.308  -6.507  -5.257
   44   1HA   GLY   7          2HA       GLY   7   9.246  -5.316  -4.777
   45   2HA   GLY   7          3HA       GLY   7   9.071  -4.385  -6.273
   46    H    ARG   8           H        ARG   8   6.249  -4.467  -4.203
   47    HA   ARG   8           HA       ARG   8   6.831  -1.718  -3.135
   48   1HB   ARG   8          2HB       ARG   8   4.394  -2.456  -4.803
   49   2HB   ARG   8          3HB       ARG   8   4.740  -0.885  -4.070
   50   1HG   ARG   8          2HG       ARG   8   6.814  -0.731  -5.487
   51   2HG   ARG   8          3HG       ARG   8   6.322  -2.231  -6.282
   52   1HD   ARG   8          2HD       ARG   8   5.643  -0.481  -7.710
   53   2HD   ARG   8          3HD       ARG   8   4.191  -1.172  -6.979
   54    HE   ARG   8           HE       ARG   8   3.704   0.889  -6.092
   55   1HH1  ARG   8          1HH1      ARG   8   7.185   0.989  -6.551
   56   2HH1  ARG   8          2HH1      ARG   8   7.224   2.723  -6.403
   57   1HH2  ARG   8          1HH2      ARG   8   3.813   3.012  -6.341
   58   2HH2  ARG   8          2HH2      ARG   8   5.337   3.861  -6.199
   59    H    CYS   9           H        CYS   9   4.750  -4.616  -2.738
   60    HA   CYS   9           HA       CYS   9   3.035  -3.505  -0.797
   61   1HB   CYS   9          2HB       CYS   9   2.801  -5.961  -0.062
   62   2HB   CYS   9          3HB       CYS   9   2.306  -5.398  -1.666
   63    H    THR  10           H        THR  10   2.887  -3.281   1.252
   64    HA   THR  10           HA       THR  10   3.353  -2.758   3.344
   65    HB   THR  10           HB       THR  10   5.527  -4.831   3.607
   66    HG1  THR  10           1HG      THR  10   3.982  -6.402   3.774
   67   1HG2  THR  10          1HG2      THR  10   3.155  -4.016   5.363
   68   2HG2  THR  10          2HG2      THR  10   4.372  -5.247   5.771
   69   3HG2  THR  10          3HG2      THR  10   4.843  -3.550   5.641
   70    H    GLU  11           H        GLU  11   4.783  -1.350   1.275
   71    HA   GLU  11           HA       GLU  11   7.483  -0.740   2.109
   72   1HB   GLU  11          2HB       GLU  11   7.294   1.057   0.447
   73   2HB   GLU  11          3HB       GLU  11   6.837  -0.511  -0.203
   74   1HG   GLU  11          2HG       GLU  11   4.399   0.147   0.092
   75   2HG   GLU  11          3HG       GLU  11   4.935   1.703   0.708
   76    H    GLY  12           H        GLY  12   4.541   0.397   3.431
   77   1HA   GLY  12          2HA       GLY  12   4.272   2.042   5.118
   78   2HA   GLY  12          3HA       GLY  12   5.750   2.861   4.638
   79    H    PHE  13           H        PHE  13   2.697   3.437   4.800
   80    HA   PHE  13           HA       PHE  13   1.718   3.907   2.200
   81   1HB   PHE  13          2HB       PHE  13   0.292   3.562   4.115
   82   2HB   PHE  13          3HB       PHE  13   0.904   5.024   4.899
   83    HD1  PHE  13           1HD      PHE  13  -1.215   3.645   2.166
   84    HD2  PHE  13           2HD      PHE  13  -0.017   7.196   4.322
   85    HE1  PHE  13           1HE      PHE  13  -3.216   4.845   1.333
   86    HE2  PHE  13           2HE      PHE  13  -1.957   8.411   3.383
   87    HZ   PHE  13           HZ       PHE  13  -3.559   7.230   1.903
   88    H    ASN  14           H        ASN  14   1.550   5.518   0.850
   89    HA   ASN  14           HA       ASN  14   1.940   8.317   1.564
   90   1HB   ASN  14          2HB       ASN  14   4.245   7.644   0.980
   91   2HB   ASN  14          3HB       ASN  14   3.681   6.989  -0.567
   92   1HD2  ASN  14          2HD2      ASN  14   5.706   8.869  -0.567
   93   2HD2  ASN  14          1HD2      ASN  14   5.056  10.370  -1.222
   94    H    VAL  15           H        VAL  15   0.055   9.105   0.842
   95    HA   VAL  15           HA       VAL  15  -1.518   7.683  -1.087
   96    HB   VAL  15           HB       VAL  15  -2.204   8.998   1.016
   97   1HG1  VAL  15          1HG1      VAL  15  -3.145  11.143   0.771
   98   2HG1  VAL  15          2HG1      VAL  15  -1.424  11.221   0.359
   99   3HG1  VAL  15          3HG1      VAL  15  -2.653  11.248  -0.937
  100   1HG2  VAL  15          1HG2      VAL  15  -4.477   9.085   0.257
  101   2HG2  VAL  15          2HG2      VAL  15  -3.958   9.052  -1.446
  102   3HG2  VAL  15          3HG2      VAL  15  -3.668   7.650  -0.386
  103    H    ASP  16           H        ASP  16   0.938   9.890  -1.699
  104    HA   ASP  16           HA       ASP  16  -0.178  11.032  -4.160
  105   1HB   ASP  16          2HB       ASP  16   1.490  12.160  -2.653
  106   2HB   ASP  16          3HB       ASP  16   2.686  10.958  -3.171
  107    H    LYS  17           H        LYS  17   1.358   8.028  -3.356
  108    HA   LYS  17           HA       LYS  17   2.527   7.396  -5.959
  109   1HB   LYS  17          2HB       LYS  17   1.740   5.696  -3.552
  110   2HB   LYS  17          3HB       LYS  17   2.544   5.046  -4.992
  111   1HG   LYS  17          2HG       LYS  17   4.469   6.524  -4.637
  112   2HG   LYS  17          3HG       LYS  17   3.686   7.244  -3.212
  113   1HD   LYS  17          2HD       LYS  17   3.705   5.073  -2.060
  114   2HD   LYS  17          3HD       LYS  17   4.429   4.296  -3.486
  115   1HE   LYS  17          2HE       LYS  17   6.427   5.680  -3.310
  116   2HE   LYS  17          3HE       LYS  17   5.713   6.624  -1.989
  117   1HZ   LYS  17          1HZ       LYS  17   6.333   3.711  -1.830
  118   2HZ   LYS  17          2HZ       LYS  17   7.258   4.898  -1.189
  119   3HZ   LYS  17          3HZ       LYS  17   5.753   4.632  -0.610
  120    H    LYS  18           H        LYS  18   1.744   5.368  -7.192
  121    HA   LYS  18           HA       LYS  18  -1.035   5.854  -8.071
  122   1HB   LYS  18          2HB       LYS  18   1.243   4.134  -9.035
  123   2HB   LYS  18          3HB       LYS  18  -0.409   3.755  -9.543
  124   1HG   LYS  18          2HG       LYS  18   0.632   5.100 -11.192
  125   2HG   LYS  18          3HG       LYS  18  -0.644   6.064 -10.421
  126   1HD   LYS  18          2HD       LYS  18   1.094   7.200  -9.032
  127   2HD   LYS  18          3HD       LYS  18   2.356   6.261  -9.844
  128   1HE   LYS  18          2HE       LYS  18   0.421   8.173 -11.238
  129   2HE   LYS  18          3HE       LYS  18   2.076   8.573 -10.772
  130   1HZ   LYS  18          1HZ       LYS  18   2.849   6.793 -12.268
  131   2HZ   LYS  18          2HZ       LYS  18   1.316   6.467 -12.750
  132   3HZ   LYS  18          3HZ       LYS  18   1.991   7.911 -13.088
  133    H    CYS  19           H        CYS  19   0.701   3.035  -6.653
  134    HA   CYS  19           HA       CYS  19  -1.937   2.013  -5.620
  135   1HB   CYS  19          2HB       CYS  19  -0.827   0.067  -4.943
  136   2HB   CYS  19          3HB       CYS  19  -0.190   0.361  -6.554
  137    H    GLN  20           H        GLN  20  -2.189   1.730  -3.430
  138    HA   GLN  20           HA       GLN  20  -0.230   3.057  -1.583
  139   1HB   GLN  20          2HB       GLN  20  -3.255   2.929  -1.524
  140   2HB   GLN  20          3HB       GLN  20  -2.291   3.122  -0.059
  141   1HG   GLN  20          2HG       GLN  20  -3.006   5.277  -0.887
  142   2HG   GLN  20          3HG       GLN  20  -1.250   5.138  -0.804
  143   1HE2  GLN  20          2HE2      GLN  20  -0.269   6.233  -2.557
  144   2HE2  GLN  20          1HE2      GLN  20  -1.086   6.411  -4.101
  145    H    CYS  21           H        CYS  21   0.857   1.095  -2.130
  146    HA   CYS  21           HA       CYS  21  -0.196  -1.506  -1.515
  147   1HB   CYS  21          2HB       CYS  21   2.645  -0.499  -2.033
  148   2HB   CYS  21          3HB       CYS  21   2.142  -2.180  -1.975
  149    H    ASP  22           H        ASP  22  -0.621  -0.017   0.818
  150    HA   ASP  22           HA       ASP  22   1.054  -1.402   2.799
  151   1HB   ASP  22          2HB       ASP  22   2.260   0.742   2.114
  152   2HB   ASP  22          3HB       ASP  22   0.888   1.633   2.797
  153    H    GLU  23           H        GLU  23   0.395  -0.882   5.024
  154    HA   GLU  23           HA       GLU  23  -2.068  -1.926   5.520
  155   1HB   GLU  23          2HB       GLU  23  -0.531  -0.106   7.410
  156   2HB   GLU  23          3HB       GLU  23  -1.653  -1.396   7.846
  157   1HG   GLU  23          2HG       GLU  23  -0.080  -3.050   6.779
  158   2HG   GLU  23          3HG       GLU  23   1.076  -1.738   6.502
  159    H    LEU  24           H        LEU  24  -1.481   1.599   5.378
  160    HA   LEU  24           HA       LEU  24  -4.039   2.228   6.653
  161   1HB   LEU  24          2HB       LEU  24  -2.068   4.032   5.206
  162   2HB   LEU  24          3HB       LEU  24  -3.420   4.566   6.195
  163    HG   LEU  24           HG       LEU  24  -0.944   3.086   7.176
  164   1HD1  LEU  24          1HD1      LEU  24  -1.978   5.902   7.713
  165   2HD1  LEU  24          2HD1      LEU  24  -0.488   5.179   8.360
  166   3HD1  LEU  24          3HD1      LEU  24  -0.642   5.486   6.623
  167   1HD2  LEU  24          1HD2      LEU  24  -3.386   4.050   8.735
  168   2HD2  LEU  24          2HD2      LEU  24  -2.840   2.366   8.551
  169   3HD2  LEU  24          3HD2      LEU  24  -1.855   3.510   9.462
  170    H    CYS  25           H        CYS  25  -3.324   1.365   3.401
  171    HA   CYS  25           HA       CYS  25  -4.836   3.292   1.997
  172   1HB   CYS  25          2HB       CYS  25  -4.665   1.862   0.153
  173   2HB   CYS  25          3HB       CYS  25  -3.225   1.569   1.140
  174    H    SER  26           H        SER  26  -6.062   0.517   3.796
  175    HA   SER  26           HA       SER  26  -8.650   0.431   2.521
  176   1HB   SER  26          2HB       SER  26  -9.206  -1.194   4.204
  177   2HB   SER  26          3HB       SER  26  -7.585  -1.515   3.580
  178    HG   SER  26           HG       SER  26  -7.664  -1.625   5.886
  179    H    TYR  27           H        TYR  27  -7.367   2.583   4.838
  180    HA   TYR  27           HA       TYR  27 -10.031   3.502   5.809
  181   1HB   TYR  27          2HB       TYR  27  -8.557   3.660   7.561
  182   2HB   TYR  27          3HB       TYR  27  -7.166   3.954   6.544
  183    HD1  TYR  27           1HD      TYR  27  -6.236   6.061   6.399
  184    HD2  TYR  27           2HD      TYR  27 -10.333   5.669   7.683
  185    HE1  TYR  27           1HE      TYR  27  -6.342   8.519   6.756
  186    HE2  TYR  27           2HE      TYR  27 -10.427   8.130   8.100
  187    HH   TYR  27           HH       TYR  27  -7.632  10.284   7.469
  188    H    TYR  28           H        TYR  28  -7.295   4.612   3.761
  189    HA   TYR  28           HA       TYR  28  -8.630   7.015   2.846
  190   1HB   TYR  28          2HB       TYR  28  -6.126   5.502   2.073
  191   2HB   TYR  28          3HB       TYR  28  -6.684   6.883   1.128
  192    HD1  TYR  28           1HD      TYR  28  -5.035   5.860   4.223
  193    HD2  TYR  28           2HD      TYR  28  -6.817   9.153   2.083
  194    HE1  TYR  28           1HE      TYR  28  -3.814   7.469   5.679
  195    HE2  TYR  28           2HE      TYR  28  -5.596  10.761   3.538
  196    HH   TYR  28           HH       TYR  28  -4.121  11.019   5.273
  197    H    GLN  29           H        GLN  29  -9.131   3.779   1.891
  198    HA   GLN  29           HA       GLN  29 -10.155   2.737   0.186
  199   1HB   GLN  29          2HB       GLN  29 -11.429   5.343  -0.696
  200   2HB   GLN  29          3HB       GLN  29 -12.021   3.699  -0.898
  201   1HG   GLN  29          2HG       GLN  29 -11.931   5.359   1.640
  202   2HG   GLN  29          3HG       GLN  29 -13.356   4.768   0.782
  203   1HE2  GLN  29          2HE2      GLN  29 -11.686   4.276   3.550
  204   2HE2  GLN  29          1HE2      GLN  29 -11.827   2.524   3.708
  205    H    SER  30           H        SER  30  -7.531   3.516  -0.246
  206    HA   SER  30           HA       SER  30  -7.358   4.282  -3.137
  207   1HB   SER  30          2HB       SER  30  -5.212   5.342  -2.423
  208   2HB   SER  30          3HB       SER  30  -6.644   6.001  -1.607
  209    HG   SER  30           HG       SER  30  -5.067   5.591  -0.074
  210    H    CYS  31           H        CYS  31  -7.021   1.516  -1.458
  211    HA   CYS  31           HA       CYS  31  -4.463   0.536  -1.709
  212   1HB   CYS  31          2HB       CYS  31  -7.091  -0.970  -2.003
  213   2HB   CYS  31          3HB       CYS  31  -5.521  -1.674  -1.599
  214    H    CYS  32           H        CYS  32  -3.437  -0.996  -2.998
  215    HA   CYS  32           HA       CYS  32  -2.977  -0.760  -5.644
  216   1HB   CYS  32          2HB       CYS  32  -3.286  -3.533  -4.469
  217   2HB   CYS  32          3HB       CYS  32  -2.177  -3.005  -5.720
  218    H    THR  33           H        THR  33  -3.480  -1.791  -7.616
  219    HA   THR  33           HA       THR  33  -6.148  -2.137  -8.389
  220    HB   THR  33           HB       THR  33  -3.721  -3.447  -9.666
  221    HG1  THR  33           1HG      THR  33  -4.752  -0.815  -9.933
  222   1HG2  THR  33          1HG2      THR  33  -4.908  -2.932 -11.789
  223   2HG2  THR  33          2HG2      THR  33  -5.809  -4.078 -10.794
  224   3HG2  THR  33          3HG2      THR  33  -6.321  -2.376 -10.861
  225    H    ASP  34           H        ASP  34  -4.039  -4.567  -6.928
  226    HA   ASP  34           HA       ASP  34  -6.322  -6.500  -6.856
  227   1HB   ASP  34          2HB       ASP  34  -3.431  -7.072  -7.615
  228   2HB   ASP  34          3HB       ASP  34  -4.628  -8.324  -7.256
  229    H    TYR  35           H        TYR  35  -5.179  -4.617  -4.802
  230    HA   TYR  35           HA       TYR  35  -3.425  -5.408  -2.992
  231   1HB   TYR  35          2HB       TYR  35  -4.710  -3.360  -2.805
  232   2HB   TYR  35          3HB       TYR  35  -6.153  -4.265  -2.358
  233    HD1  TYR  35           1HD      TYR  35  -2.865  -2.968  -1.168
  234    HD2  TYR  35           2HD      TYR  35  -6.473  -5.094  -0.104
  235    HE1  TYR  35           1HE      TYR  35  -2.355  -2.652   1.239
  236    HE2  TYR  35           2HE      TYR  35  -5.982  -4.717   2.299
  237    HH   TYR  35           HH       TYR  35  -4.600  -3.718   3.818
  238    H    THR  36           H        THR  36  -6.801  -6.763  -2.605
  239    HA   THR  36           HA       THR  36  -6.001  -8.328  -0.324
  240    HB   THR  36           HB       THR  36  -8.262  -9.514  -0.803
  241    HG1  THR  36           1HG      THR  36  -9.624  -8.283  -2.111
  242   1HG2  THR  36          1HG2      THR  36  -9.439  -7.706   0.274
  243   2HG2  THR  36          2HG2      THR  36  -7.783  -7.759   0.914
  244   3HG2  THR  36          3HG2      THR  36  -8.236  -6.520  -0.281
  245    H    ALA  37           H        ALA  37  -5.426  -8.993  -3.598
  246    HA   ALA  37           HA       ALA  37  -4.914 -11.881  -2.976
  247   1HB   ALA  37          1HB       ALA  37  -6.619 -11.509  -4.722
  248   2HB   ALA  37          2HB       ALA  37  -5.458 -10.531  -5.651
  249   3HB   ALA  37          3HB       ALA  37  -5.157 -12.263  -5.388
  250    H    GLU  38           H        GLU  38  -3.431  -8.861  -3.725
  251    HA   GLU  38           HA       GLU  38  -0.777 -10.179  -4.215
  252   1HB   GLU  38          2HB       GLU  38  -2.114  -7.751  -5.390
  253   2HB   GLU  38          3HB       GLU  38  -0.367  -7.742  -5.219
  254   1HG   GLU  38          2HG       GLU  38  -1.718 -10.066  -6.596
  255   2HG   GLU  38          3HG       GLU  38  -1.416  -8.554  -7.443
  256    H    CYS  39           H        CYS  39  -1.858  -6.910  -3.042
  257    HA   CYS  39           HA       CYS  39   0.675  -6.639  -1.707
  258   1HB   CYS  39          2HB       CYS  39  -1.745  -4.854  -1.527
  259   2HB   CYS  39          3HB       CYS  39  -0.082  -4.411  -1.143
  260    H    LYS  40           H        LYS  40  -2.364  -7.724  -0.576
  261    HA   LYS  40           HA       LYS  40  -2.994  -6.978   1.807
  262   1HB   LYS  40          2HB       LYS  40  -4.036  -8.739   0.626
  263   2HB   LYS  40          3HB       LYS  40  -2.739  -9.861   0.977
  264   1HG   LYS  40          2HG       LYS  40  -3.326  -9.899   3.339
  265   2HG   LYS  40          3HG       LYS  40  -4.453  -8.538   3.123
  266   1HD   LYS  40          2HD       LYS  40  -5.730 -10.595   3.278
  267   2HD   LYS  40          3HD       LYS  40  -5.857  -9.942   1.643
  268   1HE   LYS  40          2HE       LYS  40  -3.915 -11.563   1.033
  269   2HE   LYS  40          3HE       LYS  40  -4.208 -12.320   2.604
  270   1HZ   LYS  40          1HZ       LYS  40  -5.467 -13.439   0.876
  271   2HZ   LYS  40          2HZ       LYS  40  -6.546 -12.671   1.834
  272   3HZ   LYS  40          3HZ       LYS  40  -6.143 -12.044   0.365
  273    HA   PRO  41           HA       PRO  41   1.007  -7.264   3.961
  274   1HB   PRO  41          2HB       PRO  41   0.804  -5.062   5.568
  275   2HB   PRO  41          3HB       PRO  41   0.989  -4.953   3.795
  276   1HG   PRO  41          2HG       PRO  41  -1.619  -4.879   5.358
  277   2HG   PRO  41          3HG       PRO  41  -1.005  -3.679   4.166
  278   1HD   PRO  41          2HD       PRO  41  -2.689  -5.659   3.389
  279   2HD   PRO  41          3HD       PRO  41  -1.323  -5.154   2.363
  280    H    GLN  42           H        GLN  42  -0.815  -9.155   4.699
  281    HA   GLN  42           HA       GLN  42  -0.187  -9.537   7.546
  282   1HB   GLN  42          2HB       GLN  42  -2.472 -10.304   8.108
  283   2HB   GLN  42          3HB       GLN  42  -2.391  -8.580   7.726
  284   1HG   GLN  42          2HG       GLN  42  -3.365  -8.942   5.528
  285   2HG   GLN  42          3HG       GLN  42  -3.299 -10.697   5.729
  286   1HE2  GLN  42          2HE2      GLN  42  -5.189 -11.661   6.484
  287   2HE2  GLN  42          1HE2      GLN  42  -6.468 -10.769   7.309
  288    H    VAL  43           H        VAL  43   1.000 -10.503   5.277
  289    HA   VAL  43           HA       VAL  43   0.470 -13.445   5.272
  290    HB   VAL  43           HB       VAL  43   0.870 -11.616   2.862
  291   1HG1  VAL  43          1HG1      VAL  43   0.659 -13.669   1.479
  292   2HG1  VAL  43          2HG1      VAL  43   2.133 -13.657   2.433
  293   3HG1  VAL  43          3HG1      VAL  43   0.754 -14.662   2.944
  294   1HG2  VAL  43          1HG2      VAL  43  -1.307 -12.543   2.119
  295   2HG2  VAL  43          2HG2      VAL  43  -1.440 -13.455   3.640
  296   3HG2  VAL  43          3HG2      VAL  43  -1.465 -11.677   3.645
  297    H    THR  44           H        THR  44   2.293 -14.674   5.295
  298    HA   THR  44           HA       THR  44   4.966 -13.414   4.999
  299    HB   THR  44           HB       THR  44   4.246 -13.163   7.340
  300    HG1  THR  44           1HG      THR  44   6.355 -14.994   6.947
  301   1HG2  THR  44          1HG2      THR  44   4.134 -15.073   8.863
  302   2HG2  THR  44          2HG2      THR  44   2.840 -15.142   7.661
  303   3HG2  THR  44          3HG2      THR  44   4.255 -16.205   7.502
  304    H    ARG  45           H        ARG  45   3.578 -15.163   3.328
  305    HA   ARG  45           HA       ARG  45   5.517 -17.381   2.976
  306   1HB   ARG  45          2HB       ARG  45   2.488 -17.747   3.220
  307   2HB   ARG  45          3HB       ARG  45   3.549 -18.931   2.456
  308   1HG   ARG  45          2HG       ARG  45   4.758 -19.306   4.547
  309   2HG   ARG  45          3HG       ARG  45   3.768 -18.074   5.360
  310   1HD   ARG  45          2HD       ARG  45   2.881 -20.263   5.907
  311   2HD   ARG  45          3HD       ARG  45   1.737 -19.365   4.930
  312    HE   ARG  45           HE       ARG  45   1.989 -20.855   3.147
  313   1HH1  ARG  45          1HH2      ARG  45   4.345 -21.687   5.611
  314   2HH1  ARG  45          2HH2      ARG  45   4.634 -23.269   4.941
  315   1HH2  ARG  45          1HH1      ARG  45   2.394 -22.971   2.351
  316   2HH2  ARG  45          2HH1      ARG  45   3.579 -23.937   3.170
  317    H    GLY  46           H        GLY  46   5.343 -18.356   0.865
  318   1HA   GLY  46          2HA       GLY  46   4.223 -16.613  -1.297
  319   2HA   GLY  46          3HA       GLY  46   5.480 -17.840  -1.485
  320    H    ASP  47           H        ASP  47   2.853 -18.777   0.524
  321    HA   ASP  47           HA       ASP  47   1.280 -20.209  -1.506
  322   1HB   ASP  47          2HB       ASP  47   3.192 -21.686  -1.266
  323   2HB   ASP  47          3HB       ASP  47   3.166 -21.528   0.489
  324    H    VAL  48           H        VAL  48  -0.712 -20.793  -0.737
  325    HA   VAL  48           HA       VAL  48  -1.903 -19.251   1.271
  326    HB   VAL  48           HB       VAL  48  -2.914 -21.824  -0.009
  327   1HG1  VAL  48          1HG1      VAL  48  -4.460 -19.600   1.401
  328   2HG1  VAL  48          2HG1      VAL  48  -5.187 -20.900   0.434
  329   3HG1  VAL  48          3HG1      VAL  48  -4.334 -21.301   1.919
  330   1HG2  VAL  48          1HG2      VAL  48  -2.364 -20.105  -1.698
  331   2HG2  VAL  48          2HG2      VAL  48  -4.110 -20.283  -1.552
  332   3HG2  VAL  48          3HG2      VAL  48  -3.300 -18.897  -0.790
  333    H    PHE  49           H        PHE  49  -2.686 -19.578   3.302
  334    HA   PHE  49           HA       PHE  49  -2.245 -22.097   4.759
  335   1HB   PHE  49          2HB       PHE  49  -0.985 -21.112   6.529
  336   2HB   PHE  49          3HB       PHE  49  -0.144 -20.817   5.017
  337    HD1  PHE  49           1HD      PHE  49  -0.381 -18.457   3.926
  338    HD2  PHE  49           2HD      PHE  49  -1.495 -19.323   8.004
  339    HE1  PHE  49           1HE      PHE  49  -0.252 -16.045   4.480
  340    HE2  PHE  49           2HE      PHE  49  -1.336 -16.912   8.556
  341    HZ   PHE  49           HZ       PHE  49  -0.719 -15.264   6.798
  342    H    THR  50           H        THR  50  -3.020 -21.588   7.212
  343    HA   THR  50           HA       THR  50  -5.834 -21.339   7.023
  344    HB   THR  50           HB       THR  50  -5.719 -21.264   9.568
  345    HG1  THR  50           1HG      THR  50  -3.702 -21.703  10.456
  346   1HG2  THR  50          1HG2      THR  50  -4.179 -23.493   8.159
  347   2HG2  THR  50          2HG2      THR  50  -4.965 -23.592   9.752
  348   3HG2  THR  50          3HG2      THR  50  -5.947 -23.375   8.296
  349    H    MET  51           H        MET  51  -7.320 -19.905   7.833
  350    HA   MET  51           HA       MET  51  -6.610 -17.140   8.533
  351   1HB   MET  51          2HB       MET  51  -7.842 -16.185   6.623
  352   2HB   MET  51          3HB       MET  51  -6.410 -17.075   6.110
  353   1HG   MET  51          2HG       MET  51  -7.829 -19.011   5.487
  354   2HG   MET  51          3HG       MET  51  -9.271 -18.109   5.991
  355   1HE   MET  51          1HE       MET  51  -8.850 -19.554   3.161
  356   2HE   MET  51          2HE       MET  51 -10.340 -18.711   3.641
  357   3HE   MET  51          3HE       MET  51  -9.573 -18.342   2.081
  Start of MODEL   19
    1   1H    ASP   1          1H        ASP   1  -0.401  -0.218 -20.508
    2   2H    ASP   1          2H        ASP   1   0.473   0.820 -19.594
    3   3H    ASP   1          3H        ASP   1   0.870   0.588 -21.170
    4    HA   ASP   1           HA       ASP   1   1.431  -1.719 -20.735
    5   1HB   ASP   1          2HB       ASP   1   2.932   0.358 -19.084
    6   2HB   ASP   1          3HB       ASP   1   3.505  -1.288 -19.402
    7    H    GLN   2           H        GLN   2   1.621  -3.450 -19.285
    8    HA   GLN   2           HA       GLN   2  -0.238  -3.445 -17.056
    9   1HB   GLN   2          2HB       GLN   2   1.828  -5.515 -17.921
   10   2HB   GLN   2          3HB       GLN   2   0.550  -5.773 -16.735
   11   1HG   GLN   2          2HG       GLN   2   0.160  -5.220 -19.711
   12   2HG   GLN   2          3HG       GLN   2  -0.060  -6.756 -18.885
   13   1HE2  GLN   2          2HE2      GLN   2  -1.868  -6.878 -17.224
   14   2HE2  GLN   2          1HE2      GLN   2  -3.262  -5.828 -17.485
   15    H    GLU   3           H        GLU   3   0.138  -3.555 -14.873
   16    HA   GLU   3           HA       GLU   3   2.818  -3.545 -13.707
   17   1HB   GLU   3          2HB       GLU   3   2.539  -1.181 -14.395
   18   2HB   GLU   3          3HB       GLU   3   0.988  -1.106 -13.554
   19   1HG   GLU   3          2HG       GLU   3   2.703   0.049 -12.314
   20   2HG   GLU   3          3HG       GLU   3   2.118  -1.310 -11.386
   21    H    SER   4           H        SER   4   2.747  -3.670 -11.367
   22    HA   SER   4           HA       SER   4   0.198  -4.097  -9.962
   23   1HB   SER   4          2HB       SER   4   0.589  -6.366  -9.311
   24   2HB   SER   4          3HB       SER   4   0.686  -6.321 -11.080
   25    HG   SER   4           HG       SER   4   2.897  -6.457 -10.959
   26    H    CYS   5           H        CYS   5   0.790  -4.964  -7.640
   27    HA   CYS   5           HA       CYS   5   2.658  -3.168  -6.352
   28   1HB   CYS   5          2HB       CYS   5   0.508  -4.027  -5.448
   29   2HB   CYS   5          3HB       CYS   5   1.187  -5.659  -5.396
   30    H    LYS   6           H        LYS   6   3.341  -6.075  -8.062
   31    HA   LYS   6           HA       LYS   6   4.839  -7.479  -6.144
   32   1HB   LYS   6          2HB       LYS   6   3.901  -8.172  -8.486
   33   2HB   LYS   6          3HB       LYS   6   5.426  -7.576  -9.127
   34   1HG   LYS   6          2HG       LYS   6   5.495  -9.987  -8.830
   35   2HG   LYS   6          3HG       LYS   6   6.648  -9.221  -7.730
   36   1HD   LYS   6          2HD       LYS   6   5.394 -11.148  -6.755
   37   2HD   LYS   6          3HD       LYS   6   5.393  -9.662  -5.825
   38   1HE   LYS   6          2HE       LYS   6   3.248 -10.549  -5.690
   39   2HE   LYS   6          3HE       LYS   6   3.108  -9.115  -6.691
   40   1HZ   LYS   6          1HZ       LYS   6   3.056 -10.591  -8.652
   41   2HZ   LYS   6          2HZ       LYS   6   3.157 -11.916  -7.693
   42   3HZ   LYS   6          3HZ       LYS   6   1.838 -10.951  -7.618
   43    H    GLY   7           H        GLY   7   6.801  -7.472  -5.400
   44   1HA   GLY   7          2HA       GLY   7   9.030  -6.922  -5.050
   45   2HA   GLY   7          3HA       GLY   7   9.008  -5.850  -6.458
   46    H    ARG   8           H        ARG   8   6.353  -4.903  -4.619
   47    HA   ARG   8           HA       ARG   8   7.926  -2.800  -3.138
   48   1HB   ARG   8          2HB       ARG   8   5.672  -2.544  -5.158
   49   2HB   ARG   8          3HB       ARG   8   6.100  -1.236  -4.063
   50   1HG   ARG   8          2HG       ARG   8   8.144  -0.822  -5.030
   51   2HG   ARG   8          3HG       ARG   8   8.333  -2.438  -5.700
   52   1HD   ARG   8          2HD       ARG   8   6.210  -0.517  -6.697
   53   2HD   ARG   8          3HD       ARG   8   7.865  -0.592  -7.340
   54    HE   ARG   8           HE       ARG   8   6.818  -3.235  -7.386
   55   1HH1  ARG   8          1HH1      ARG   8   6.310  -0.206  -9.085
   56   2HH1  ARG   8          2HH1      ARG   8   5.808  -1.027 -10.553
   57   1HH2  ARG   8          1HH2      ARG   8   6.132  -4.176  -9.228
   58   2HH2  ARG   8          2HH2      ARG   8   5.501  -3.179 -10.544
   59    H    CYS   9           H        CYS   9   4.940  -4.705  -3.104
   60    HA   CYS   9           HA       CYS   9   3.367  -3.522  -1.353
   61   1HB   CYS   9          2HB       CYS   9   4.109  -6.446  -1.046
   62   2HB   CYS   9          3HB       CYS   9   2.547  -5.679  -0.715
   63    H    THR  10           H        THR  10   2.935  -3.182   0.686
   64    HA   THR  10           HA       THR  10   3.183  -2.596   2.811
   65    HB   THR  10           HB       THR  10   5.093  -4.856   3.401
   66    HG1  THR  10           1HG      THR  10   3.430  -5.723   2.152
   67   1HG2  THR  10          1HG2      THR  10   2.710  -3.656   4.903
   68   2HG2  THR  10          2HG2      THR  10   3.705  -5.018   5.457
   69   3HG2  THR  10          3HG2      THR  10   4.418  -3.410   5.324
   70    H    GLU  11           H        GLU  11   4.965  -1.401   0.851
   71    HA   GLU  11           HA       GLU  11   7.458  -0.704   2.117
   72   1HB   GLU  11          2HB       GLU  11   7.463   1.202   0.555
   73   2HB   GLU  11          3HB       GLU  11   7.234  -0.343  -0.236
   74   1HG   GLU  11          2HG       GLU  11   4.871   0.101  -0.609
   75   2HG   GLU  11          3HG       GLU  11   4.918   1.518   0.447
   76    H    GLY  12           H        GLY  12   4.237   0.347   2.816
   77   1HA   GLY  12          2HA       GLY  12   3.755   1.610   4.835
   78   2HA   GLY  12          3HA       GLY  12   5.215   2.570   4.582
   79    H    PHE  13           H        PHE  13   2.799   3.750   5.058
   80    HA   PHE  13           HA       PHE  13   1.238   4.428   2.752
   81   1HB   PHE  13          2HB       PHE  13   0.263   4.439   4.903
   82   2HB   PHE  13          3HB       PHE  13   1.521   5.489   5.575
   83    HD1  PHE  13           1HD      PHE  13   1.073   7.774   5.797
   84    HD2  PHE  13           2HD      PHE  13  -1.174   5.434   2.941
   85    HE1  PHE  13           1HE      PHE  13  -0.402   9.724   5.361
   86    HE2  PHE  13           2HE      PHE  13  -2.640   7.376   2.516
   87    HZ   PHE  13           HZ       PHE  13  -2.264   9.525   3.734
   88    H    ASN  14           H        ASN  14   1.301   6.032   1.324
   89    HA   ASN  14           HA       ASN  14   2.437   8.615   1.837
   90   1HB   ASN  14          2HB       ASN  14   4.545   7.423   1.242
   91   2HB   ASN  14          3HB       ASN  14   3.848   6.966  -0.318
   92   1HD2  ASN  14          2HD2      ASN  14   6.250   8.405  -0.137
   93   2HD2  ASN  14          1HD2      ASN  14   5.947  10.032  -0.746
   94    H    VAL  15           H        VAL  15   0.320   9.251   1.392
   95    HA   VAL  15           HA       VAL  15  -1.254   8.243  -0.680
   96    HB   VAL  15           HB       VAL  15  -1.874   9.375   1.473
   97   1HG1  VAL  15          1HG1      VAL  15  -2.105  11.872  -0.191
   98   2HG1  VAL  15          2HG1      VAL  15  -2.626  11.613   1.493
   99   3HG1  VAL  15          3HG1      VAL  15  -0.901  11.585   1.094
  100   1HG2  VAL  15          1HG2      VAL  15  -3.623   9.849  -0.929
  101   2HG2  VAL  15          2HG2      VAL  15  -3.456   8.329  -0.008
  102   3HG2  VAL  15          3HG2      VAL  15  -4.124   9.765   0.774
  103    H    ASP  16           H        ASP  16   1.257  10.420  -1.245
  104    HA   ASP  16           HA       ASP  16   0.158  11.740  -3.598
  105   1HB   ASP  16          2HB       ASP  16   2.115  12.557  -2.284
  106   2HB   ASP  16          3HB       ASP  16   3.034  11.147  -2.838
  107    H    LYS  17           H        LYS  17   1.497   8.534  -2.976
  108    HA   LYS  17           HA       LYS  17   2.225   7.957  -5.741
  109   1HB   LYS  17          2HB       LYS  17   1.903   6.114  -3.326
  110   2HB   LYS  17          3HB       LYS  17   2.551   5.640  -4.907
  111   1HG   LYS  17          2HG       LYS  17   4.314   7.452  -4.641
  112   2HG   LYS  17          3HG       LYS  17   3.764   7.645  -2.960
  113   1HD   LYS  17          2HD       LYS  17   4.275   5.239  -2.537
  114   2HD   LYS  17          3HD       LYS  17   4.812   5.072  -4.228
  115   1HE   LYS  17          2HE       LYS  17   6.503   6.910  -3.788
  116   2HE   LYS  17          3HE       LYS  17   6.041   6.846  -2.076
  117   1HZ   LYS  17          1HZ       LYS  17   6.698   4.452  -2.115
  118   2HZ   LYS  17          2HZ       LYS  17   7.217   4.617  -3.649
  119   3HZ   LYS  17          3HZ       LYS  17   7.961   5.443  -2.453
  120    H    LYS  18           H        LYS  18   1.323   6.552  -7.169
  121    HA   LYS  18           HA       LYS  18  -1.531   6.618  -7.494
  122   1HB   LYS  18          2HB       LYS  18   0.784   5.389  -9.001
  123   2HB   LYS  18          3HB       LYS  18  -0.855   4.881  -9.392
  124   1HG   LYS  18          2HG       LYS  18  -0.305   6.588 -10.908
  125   2HG   LYS  18          3HG       LYS  18  -1.498   7.259  -9.784
  126   1HD   LYS  18          2HD       LYS  18   0.351   8.383  -8.540
  127   2HD   LYS  18          3HD       LYS  18   1.523   7.753  -9.701
  128   1HE   LYS  18          2HE       LYS  18  -0.835   9.575 -10.383
  129   2HE   LYS  18          3HE       LYS  18   0.804  10.145 -10.066
  130   1HZ   LYS  18          1HZ       LYS  18   0.434   9.911 -12.436
  131   2HZ   LYS  18          2HZ       LYS  18   1.568   8.835 -11.977
  132   3HZ   LYS  18          3HZ       LYS  18   0.041   8.337 -12.296
  133    H    CYS  19           H        CYS  19   0.347   4.330  -5.755
  134    HA   CYS  19           HA       CYS  19  -2.160   2.823  -5.189
  135   1HB   CYS  19          2HB       CYS  19  -0.919   1.312  -6.665
  136   2HB   CYS  19          3HB       CYS  19   0.552   1.546  -5.710
  137    H    GLN  20           H        GLN  20  -2.554   2.763  -3.117
  138    HA   GLN  20           HA       GLN  20  -0.405   3.206  -1.094
  139   1HB   GLN  20          2HB       GLN  20  -3.414   2.857  -0.841
  140   2HB   GLN  20          3HB       GLN  20  -2.296   3.157   0.506
  141   1HG   GLN  20          2HG       GLN  20  -3.032   5.049  -1.746
  142   2HG   GLN  20          3HG       GLN  20  -3.253   5.285  -0.009
  143   1HE2  GLN  20          2HE2      GLN  20  -1.208   6.025  -2.689
  144   2HE2  GLN  20          1HE2      GLN  20   0.163   6.558  -1.713
  145    H    CYS  21           H        CYS  21   0.677   1.368  -1.935
  146    HA   CYS  21           HA       CYS  21  -0.533  -1.308  -1.761
  147   1HB   CYS  21          2HB       CYS  21   2.122  -0.114  -2.628
  148   2HB   CYS  21          3HB       CYS  21   1.896  -1.852  -2.463
  149    H    ASP  22           H        ASP  22  -0.796  -0.239   0.673
  150    HA   ASP  22           HA       ASP  22   1.091  -1.598   2.503
  151   1HB   ASP  22          2HB       ASP  22   1.678   0.440   3.642
  152   2HB   ASP  22          3HB       ASP  22   2.020   0.685   1.928
  153    H    GLU  23           H        GLU  23   0.491  -0.909   4.840
  154    HA   GLU  23           HA       GLU  23  -1.882  -2.242   5.455
  155   1HB   GLU  23          2HB       GLU  23  -0.267  -0.416   7.278
  156   2HB   GLU  23          3HB       GLU  23  -1.316  -1.750   7.766
  157   1HG   GLU  23          2HG       GLU  23   0.215  -3.326   6.514
  158   2HG   GLU  23          3HG       GLU  23   1.315  -1.968   6.234
  159    H    LEU  24           H        LEU  24  -1.650   1.230   4.901
  160    HA   LEU  24           HA       LEU  24  -4.159   1.736   6.482
  161   1HB   LEU  24          2HB       LEU  24  -2.041   3.657   5.456
  162   2HB   LEU  24          3HB       LEU  24  -3.456   4.093   6.407
  163    HG   LEU  24           HG       LEU  24  -1.121   2.386   7.364
  164   1HD1  LEU  24          1HD1      LEU  24  -0.699   4.280   8.861
  165   2HD1  LEU  24          2HD1      LEU  24  -0.673   4.817   7.175
  166   3HD1  LEU  24          3HD1      LEU  24  -2.092   5.157   8.186
  167   1HD2  LEU  24          1HD2      LEU  24  -2.219   2.560   9.606
  168   2HD2  LEU  24          2HD2      LEU  24  -3.660   3.251   8.824
  169   3HD2  LEU  24          3HD2      LEU  24  -3.151   1.583   8.472
  170    H    CYS  25           H        CYS  25  -3.519   0.937   3.419
  171    HA   CYS  25           HA       CYS  25  -4.431   2.984   1.803
  172   1HB   CYS  25          2HB       CYS  25  -4.460   1.349   0.107
  173   2HB   CYS  25          3HB       CYS  25  -3.202   0.908   1.271
  174    H    SER  26           H        SER  26  -6.535   0.581   3.409
  175    HA   SER  26           HA       SER  26  -8.826   1.097   1.743
  176   1HB   SER  26          2HB       SER  26 -10.026  -0.298   3.347
  177   2HB   SER  26          3HB       SER  26  -8.488  -1.029   2.875
  178    HG   SER  26           HG       SER  26  -8.835  -1.114   5.159
  179    H    TYR  27           H        TYR  27  -7.681   2.513   4.741
  180    HA   TYR  27           HA       TYR  27  -9.962   4.142   5.387
  181   1HB   TYR  27          2HB       TYR  27  -8.429   3.733   7.083
  182   2HB   TYR  27          3HB       TYR  27  -7.042   4.050   6.075
  183    HD1  TYR  27           1HD      TYR  27  -9.988   5.901   7.553
  184    HD2  TYR  27           2HD      TYR  27  -5.845   5.972   6.361
  185    HE1  TYR  27           1HE      TYR  27  -9.749   8.193   8.503
  186    HE2  TYR  27           2HE      TYR  27  -5.610   8.271   7.278
  187    HH   TYR  27           HH       TYR  27  -8.350   9.970   8.871
  188    H    TYR  28           H        TYR  28  -7.612   4.399   2.835
  189    HA   TYR  28           HA       TYR  28  -8.673   7.089   2.048
  190   1HB   TYR  28          2HB       TYR  28  -6.066   5.668   1.392
  191   2HB   TYR  28          3HB       TYR  28  -6.612   7.134   0.578
  192    HD1  TYR  28           1HD      TYR  28  -5.021   5.817   3.570
  193    HD2  TYR  28           2HD      TYR  28  -6.965   9.260   1.842
  194    HE1  TYR  28           1HE      TYR  28  -4.008   7.268   5.314
  195    HE2  TYR  28           2HE      TYR  28  -5.968  10.710   3.600
  196    HH   TYR  28           HH       TYR  28  -4.631  10.810   5.452
  197    H    GLN  29           H        GLN  29  -9.321   3.924   1.410
  198    HA   GLN  29           HA       GLN  29  -9.966   2.641  -0.335
  199   1HB   GLN  29          2HB       GLN  29 -11.299   5.196  -1.316
  200   2HB   GLN  29          3HB       GLN  29 -11.733   3.539  -1.723
  201   1HG   GLN  29          2HG       GLN  29 -13.325   4.092  -0.140
  202   2HG   GLN  29          3HG       GLN  29 -12.151   3.162   0.794
  203   1HE2  GLN  29          2HE2      GLN  29 -11.521   4.137   2.736
  204   2HE2  GLN  29          1HE2      GLN  29 -11.694   5.866   3.065
  205    H    SER  30           H        SER  30  -7.345   3.565  -0.684
  206    HA   SER  30           HA       SER  30  -7.060   3.955  -3.655
  207   1HB   SER  30          2HB       SER  30  -5.501   5.209  -1.369
  208   2HB   SER  30          3HB       SER  30  -5.048   5.330  -3.083
  209    HG   SER  30           HG       SER  30  -7.471   6.255  -1.901
  210    H    CYS  31           H        CYS  31  -6.881   1.459  -1.903
  211    HA   CYS  31           HA       CYS  31  -4.217   0.427  -1.913
  212   1HB   CYS  31          2HB       CYS  31  -6.822  -1.086  -2.311
  213   2HB   CYS  31          3HB       CYS  31  -5.302  -1.686  -1.637
  214    H    CYS  32           H        CYS  32  -3.197  -1.122  -3.371
  215    HA   CYS  32           HA       CYS  32  -3.432  -0.981  -6.128
  216   1HB   CYS  32          2HB       CYS  32  -2.733  -3.606  -5.871
  217   2HB   CYS  32          3HB       CYS  32  -1.620  -2.271  -5.700
  218    H    THR  33           H        THR  33  -4.401  -2.245  -7.746
  219    HA   THR  33           HA       THR  33  -7.179  -2.599  -7.536
  220    HB   THR  33           HB       THR  33  -6.991  -3.779  -9.755
  221    HG1  THR  33           1HG      THR  33  -5.051  -4.783  -9.657
  222   1HG2  THR  33          1HG2      THR  33  -6.140  -1.850 -10.972
  223   2HG2  THR  33          2HG2      THR  33  -7.116  -1.308  -9.597
  224   3HG2  THR  33          3HG2      THR  33  -5.341  -1.225  -9.514
  225    H    ASP  34           H        ASP  34  -4.796  -4.866  -6.597
  226    HA   ASP  34           HA       ASP  34  -6.839  -6.981  -6.100
  227   1HB   ASP  34          2HB       ASP  34  -4.044  -7.339  -7.267
  228   2HB   ASP  34          3HB       ASP  34  -5.126  -8.653  -6.785
  229    H    TYR  35           H        TYR  35  -5.681  -4.896  -4.291
  230    HA   TYR  35           HA       TYR  35  -3.529  -5.536  -2.779
  231   1HB   TYR  35          2HB       TYR  35  -4.704  -3.505  -2.399
  232   2HB   TYR  35          3HB       TYR  35  -6.147  -4.366  -1.846
  233    HD1  TYR  35           1HD      TYR  35  -6.302  -5.256   0.413
  234    HD2  TYR  35           2HD      TYR  35  -2.713  -3.244  -0.900
  235    HE1  TYR  35           1HE      TYR  35  -5.497  -5.157   2.758
  236    HE2  TYR  35           2HE      TYR  35  -1.907  -3.173   1.444
  237    HH   TYR  35           HH       TYR  35  -3.836  -4.476   4.169
  238    H    THR  36           H        THR  36  -6.748  -6.941  -1.963
  239    HA   THR  36           HA       THR  36  -5.774  -8.462   0.246
  240    HB   THR  36           HB       THR  36  -7.990  -9.765  -0.148
  241    HG1  THR  36           1HG      THR  36  -9.448  -8.613  -1.425
  242   1HG2  THR  36          1HG2      THR  36  -9.236  -7.976   0.916
  243   2HG2  THR  36          2HG2      THR  36  -7.578  -7.984   1.547
  244   3HG2  THR  36          3HG2      THR  36  -8.066  -6.763   0.348
  245    H    ALA  37           H        ALA  37  -5.246  -9.134  -3.030
  246    HA   ALA  37           HA       ALA  37  -4.725 -12.030  -2.452
  247   1HB   ALA  37          1HB       ALA  37  -5.517 -10.685  -5.066
  248   2HB   ALA  37          2HB       ALA  37  -5.207 -12.418  -4.827
  249   3HB   ALA  37          3HB       ALA  37  -6.588 -11.647  -4.020
  250    H    GLU  38           H        GLU  38  -3.351  -9.056  -3.837
  251    HA   GLU  38           HA       GLU  38  -0.804 -10.513  -4.467
  252   1HB   GLU  38          2HB       GLU  38  -2.096  -8.038  -5.667
  253   2HB   GLU  38          3HB       GLU  38  -0.468  -8.589  -6.066
  254   1HG   GLU  38          2HG       GLU  38  -3.025 -10.181  -6.530
  255   2HG   GLU  38          3HG       GLU  38  -2.151  -9.261  -7.746
  256    H    CYS  39           H        CYS  39  -2.050  -7.912  -2.433
  257    HA   CYS  39           HA       CYS  39   0.758  -7.052  -1.898
  258   1HB   CYS  39          2HB       CYS  39  -1.507  -5.220  -1.386
  259   2HB   CYS  39          3HB       CYS  39   0.135  -4.846  -1.806
  260    H    LYS  40           H        LYS  40  -2.055  -8.323  -0.498
  261    HA   LYS  40           HA       LYS  40  -2.301  -7.284   1.960
  262   1HB   LYS  40          2HB       LYS  40  -3.757  -8.904   0.902
  263   2HB   LYS  40          3HB       LYS  40  -2.613 -10.197   1.206
  264   1HG   LYS  40          2HG       LYS  40  -2.934  -9.900   3.660
  265   2HG   LYS  40          3HG       LYS  40  -3.991  -8.508   3.348
  266   1HD   LYS  40          2HD       LYS  40  -5.388 -10.423   3.822
  267   2HD   LYS  40          3HD       LYS  40  -5.558 -10.003   2.117
  268   1HE   LYS  40          2HE       LYS  40  -3.659 -11.822   1.763
  269   2HE   LYS  40          3HE       LYS  40  -4.106 -12.355   3.385
  270   1HZ   LYS  40          1HZ       LYS  40  -6.413 -12.606   2.521
  271   2HZ   LYS  40          2HZ       LYS  40  -5.901 -12.158   1.022
  272   3HZ   LYS  40          3HZ       LYS  40  -5.363 -13.547   1.695
  273    HA   PRO  41           HA       PRO  41   1.520  -8.149   4.321
  274   1HB   PRO  41          2HB       PRO  41  -0.531  -7.499   6.450
  275   2HB   PRO  41          3HB       PRO  41   1.184  -6.986   6.351
  276   1HG   PRO  41          2HG       PRO  41  -0.820  -5.303   5.611
  277   2HG   PRO  41          3HG       PRO  41   0.689  -5.401   4.641
  278   1HD   PRO  41          2HD       PRO  41  -2.006  -6.585   4.018
  279   2HD   PRO  41          3HD       PRO  41  -0.761  -5.906   2.940
  280    H    GLN  42           H        GLN  42   2.082  -9.570   6.191
  281    HA   GLN  42           HA       GLN  42   1.114 -12.217   5.826
  282   1HB   GLN  42          2HB       GLN  42   3.424 -11.545   6.441
  283   2HB   GLN  42          3HB       GLN  42   2.860 -11.152   8.077
  284   1HG   GLN  42          2HG       GLN  42   2.113 -13.532   8.347
  285   2HG   GLN  42          3HG       GLN  42   2.708 -13.897   6.726
  286   1HE2  GLN  42          2HE2      GLN  42   3.579 -15.204   9.177
  287   2HE2  GLN  42          1HE2      GLN  42   5.292 -14.821   9.348
  288    H    VAL  43           H        VAL  43  -1.109 -12.187   6.180
  289    HA   VAL  43           HA       VAL  43  -1.989 -12.548   9.014
  290    HB   VAL  43           HB       VAL  43  -3.591 -11.078   6.869
  291   1HG1  VAL  43          1HG1      VAL  43  -4.993 -12.315   8.497
  292   2HG1  VAL  43          2HG1      VAL  43  -4.120 -11.546   9.842
  293   3HG1  VAL  43          3HG1      VAL  43  -5.125 -10.574   8.747
  294   1HG2  VAL  43          1HG2      VAL  43  -2.184  -9.942   9.322
  295   2HG2  VAL  43          2HG2      VAL  43  -1.807  -9.586   7.620
  296   3HG2  VAL  43          3HG2      VAL  43  -3.348  -9.068   8.297
  297    H    THR  44           H        THR  44  -2.516 -14.643   9.145
  298    HA   THR  44           HA       THR  44  -4.088 -16.000   7.005
  299    HB   THR  44           HB       THR  44  -2.573 -17.931   7.066
  300    HG1  THR  44           1HG      THR  44  -0.523 -17.662   8.054
  301   1HG2  THR  44          1HG2      THR  44  -2.143 -16.166   5.346
  302   2HG2  THR  44          2HG2      THR  44  -0.935 -15.442   6.435
  303   3HG2  THR  44          3HG2      THR  44  -0.697 -17.081   5.806
  304    H    ARG  45           H        ARG  45  -5.005 -18.064   7.681
  305    HA   ARG  45           HA       ARG  45  -6.032 -18.077  10.397
  306   1HB   ARG  45          2HB       ARG  45  -7.250 -18.870   8.338
  307   2HB   ARG  45          3HB       ARG  45  -6.167 -20.263   8.275
  308   1HG   ARG  45          2HG       ARG  45  -6.988 -20.928  10.583
  309   2HG   ARG  45          3HG       ARG  45  -8.070 -19.523  10.544
  310   1HD   ARG  45          2HD       ARG  45  -9.403 -21.353   9.971
  311   2HD   ARG  45          3HD       ARG  45  -9.104 -20.529   8.435
  312    HE   ARG  45           HE       ARG  45  -7.113 -22.363   8.367
  313   1HH1  ARG  45          1HH2      ARG  45 -10.489 -22.899   9.192
  314   2HH1  ARG  45          2HH2      ARG  45 -10.414 -24.578   8.731
  315   1HH2  ARG  45          1HH1      ARG  45  -7.089 -24.483   7.815
  316   2HH2  ARG  45          2HH1      ARG  45  -8.544 -25.443   7.962
  317    H    GLY  46           H        GLY  46  -3.425 -19.817   8.794
  318   1HA   GLY  46          2HA       GLY  46  -1.655 -20.368  10.659
  319   2HA   GLY  46          3HA       GLY  46  -2.887 -21.517  11.186
  320    H    ASP  47           H        ASP  47  -3.511 -21.820   8.148
  321    HA   ASP  47           HA       ASP  47  -2.279 -24.302   7.763
  322   1HB   ASP  47          2HB       ASP  47  -3.728 -22.524   5.760
  323   2HB   ASP  47          3HB       ASP  47  -3.513 -24.271   5.630
  324    H    VAL  48           H        VAL  48  -0.132 -22.280   7.876
  325    HA   VAL  48           HA       VAL  48   1.193 -22.641   5.208
  326    HB   VAL  48           HB       VAL  48   1.254 -20.114   6.895
  327   1HG1  VAL  48          1HG1      VAL  48   2.546 -20.782   4.206
  328   2HG1  VAL  48          2HG1      VAL  48   2.512 -19.177   4.969
  329   3HG1  VAL  48          3HG1      VAL  48   3.407 -20.487   5.734
  330   1HG2  VAL  48          1HG2      VAL  48   0.151 -19.099   4.894
  331   2HG2  VAL  48          2HG2      VAL  48  -0.028 -20.719   4.194
  332   3HG2  VAL  48          3HG2      VAL  48  -0.874 -20.291   5.697
  333    H    PHE  49           H        PHE  49   2.311 -24.394   5.871
  334    HA   PHE  49           HA       PHE  49   3.553 -24.791   8.349
  335   1HB   PHE  49          2HB       PHE  49   4.424 -26.024   5.719
  336   2HB   PHE  49          3HB       PHE  49   4.544 -26.731   7.332
  337    HD1  PHE  49           1HD      PHE  49   2.150 -26.904   8.617
  338    HD2  PHE  49           2HD      PHE  49   2.700 -26.801   4.337
  339    HE1  PHE  49           1HE      PHE  49  -0.075 -27.964   8.300
  340    HE2  PHE  49           2HE      PHE  49   0.479 -27.862   4.027
  341    HZ   PHE  49           HZ       PHE  49  -0.914 -28.441   6.006
  342    H    THR  50           H        THR  50   4.755 -22.794   5.801
  343    HA   THR  50           HA       THR  50   7.598 -23.062   6.449
  344    HB   THR  50           HB       THR  50   7.832 -21.249   4.722
  345    HG1  THR  50           1HG      THR  50   5.984 -20.731   3.550
  346   1HG2  THR  50          1HG2      THR  50   6.144 -23.627   3.820
  347   2HG2  THR  50          2HG2      THR  50   7.234 -22.643   2.818
  348   3HG2  THR  50          3HG2      THR  50   7.898 -23.663   4.105
  349    H    MET  51           H        MET  51   5.118 -21.303   7.940
  350    HA   MET  51           HA       MET  51   6.393 -18.820   8.589
  351   1HB   MET  51          2HB       MET  51   4.339 -20.481  10.098
  352   2HB   MET  51          3HB       MET  51   4.872 -18.869  10.595
  353   1HG   MET  51          2HG       MET  51   4.176 -17.986   8.357
  354   2HG   MET  51          3HG       MET  51   3.459 -19.561   7.997
  355   1HE   MET  51          1HE       MET  51   0.533 -19.735  10.664
  356   2HE   MET  51          2HE       MET  51   1.288 -20.550   9.279
  357   3HE   MET  51          3HE       MET  51   2.161 -20.416  10.823
  Start of MODEL   20
    1   1H    ASP   1          1H        ASP   1   0.006   0.910 -19.118
    2   2H    ASP   1          2H        ASP   1   1.387   0.665 -19.963
    3   3H    ASP   1          3H        ASP   1   0.519  -0.613 -19.423
    4    HA   ASP   1           HA       ASP   1   2.453  -0.325 -18.041
    5   1HB   ASP   1          2HB       ASP   1   2.712   2.098 -18.493
    6   2HB   ASP   1          3HB       ASP   1   1.284   2.435 -17.498
    7    H    GLN   2           H        GLN   2   2.225  -1.419 -16.159
    8    HA   GLN   2           HA       GLN   2  -0.188  -1.123 -14.467
    9   1HB   GLN   2          2HB       GLN   2   0.700  -3.761 -15.726
   10   2HB   GLN   2          3HB       GLN   2  -0.471  -3.607 -14.413
   11   1HG   GLN   2          2HG       GLN   2  -1.918  -2.201 -15.916
   12   2HG   GLN   2          3HG       GLN   2  -0.814  -2.557 -17.248
   13   1HE2  GLN   2          2HE2      GLN   2  -3.660  -3.617 -15.735
   14   2HE2  GLN   2          1HE2      GLN   2  -3.658  -5.253 -16.397
   15    H    GLU   3           H        GLU   3   0.048  -2.223 -12.387
   16    HA   GLU   3           HA       GLU   3   2.817  -2.860 -11.498
   17   1HB   GLU   3          2HB       GLU   3   1.035  -0.720 -10.251
   18   2HB   GLU   3          3HB       GLU   3   2.525  -1.361  -9.535
   19   1HG   GLU   3          2HG       GLU   3   3.796  -0.571 -11.545
   20   2HG   GLU   3          3HG       GLU   3   2.319   0.205 -12.137
   21    H    SER   4           H        SER   4   2.838  -3.657  -9.215
   22    HA   SER   4           HA       SER   4   0.403  -4.970  -8.209
   23   1HB   SER   4          2HB       SER   4   1.206  -7.202  -8.432
   24   2HB   SER   4          3HB       SER   4   1.366  -6.458 -10.032
   25    HG   SER   4           HG       SER   4   3.265  -7.542  -9.554
   26    H    CYS   5           H        CYS   5   1.166  -6.527  -6.327
   27    HA   CYS   5           HA       CYS   5   2.376  -5.192  -4.175
   28   1HB   CYS   5          2HB       CYS   5   1.005  -7.187  -3.979
   29   2HB   CYS   5          3HB       CYS   5   2.156  -8.130  -4.922
   30    H    LYS   6           H        LYS   6   4.026  -6.879  -6.861
   31    HA   LYS   6           HA       LYS   6   6.374  -7.536  -5.349
   32   1HB   LYS   6          2HB       LYS   6   5.883  -7.385  -8.347
   33   2HB   LYS   6          3HB       LYS   6   7.399  -7.952  -7.615
   34   1HG   LYS   6          2HG       LYS   6   6.150  -9.718  -6.382
   35   2HG   LYS   6          3HG       LYS   6   4.640  -9.170  -7.132
   36   1HD   LYS   6          2HD       LYS   6   5.427 -11.131  -8.273
   37   2HD   LYS   6          3HD       LYS   6   5.537  -9.746  -9.371
   38   1HE   LYS   6          2HE       LYS   6   7.976  -9.579  -8.898
   39   2HE   LYS   6          3HE       LYS   6   7.855 -10.934  -7.768
   40   1HZ   LYS   6          1HZ       LYS   6   7.285 -11.087 -10.683
   41   2HZ   LYS   6          2HZ       LYS   6   8.624 -11.664  -9.952
   42   3HZ   LYS   6          3HZ       LYS   6   7.174 -12.341  -9.640
   43    H    GLY   7           H        GLY   7   7.893  -6.309  -4.636
   44   1HA   GLY   7          2HA       GLY   7   9.436  -4.604  -4.398
   45   2HA   GLY   7          3HA       GLY   7   9.041  -4.014  -6.021
   46    H    ARG   8           H        ARG   8   6.225  -4.287  -4.055
   47    HA   ARG   8           HA       ARG   8   6.368  -1.417  -3.167
   48   1HB   ARG   8          2HB       ARG   8   4.053  -2.695  -4.679
   49   2HB   ARG   8          3HB       ARG   8   4.080  -1.099  -3.944
   50   1HG   ARG   8          2HG       ARG   8   6.183  -0.686  -5.483
   51   2HG   ARG   8          3HG       ARG   8   5.544  -2.066  -6.392
   52   1HD   ARG   8          2HD       ARG   8   4.680  -0.095  -7.387
   53   2HD   ARG   8          3HD       ARG   8   3.321  -0.829  -6.513
   54    HE   ARG   8           HE       ARG   8   3.992   0.824  -4.608
   55   1HH1  ARG   8          1HH2      ARG   8   4.306   1.846  -7.999
   56   2HH1  ARG   8          2HH2      ARG   8   4.510   3.500  -7.493
   57   1HH2  ARG   8          1HH1      ARG   8   4.322   2.774  -4.121
   58   2HH2  ARG   8          2HH1      ARG   8   4.511   4.042  -5.330
   59    H    CYS   9           H        CYS   9   4.811  -4.579  -2.601
   60    HA   CYS   9           HA       CYS   9   3.094  -3.958  -0.541
   61   1HB   CYS   9          2HB       CYS   9   4.844  -6.320  -1.123
   62   2HB   CYS   9          3HB       CYS   9   4.026  -6.217   0.449
   63    H    THR  10           H        THR  10   3.164  -2.998   1.301
   64    HA   THR  10           HA       THR  10   3.738  -2.139   3.279
   65    HB   THR  10           HB       THR  10   6.116  -3.948   3.623
   66    HG1  THR  10           1HG      THR  10   4.708  -5.570   4.239
   67   1HG2  THR  10          1HG2      THR  10   3.849  -3.107   5.498
   68   2HG2  THR  10          2HG2      THR  10   5.271  -4.078   5.935
   69   3HG2  THR  10          3HG2      THR  10   5.465  -2.380   5.490
   70    H    GLU  11           H        GLU  11   4.900  -1.003   0.808
   71    HA   GLU  11           HA       GLU  11   7.500   0.044   1.308
   72   1HB   GLU  11          2HB       GLU  11   6.984   1.679  -0.392
   73   2HB   GLU  11          3HB       GLU  11   6.557   0.059  -0.913
   74   1HG   GLU  11          2HG       GLU  11   4.128   0.613  -0.408
   75   2HG   GLU  11          3HG       GLU  11   4.642   2.244   0.041
   76    H    GLY  12           H        GLY  12   4.647   0.897   2.929
   77   1HA   GLY  12          2HA       GLY  12   4.407   2.458   4.676
   78   2HA   GLY  12          3HA       GLY  12   5.775   3.397   4.093
   79    H    PHE  13           H        PHE  13   2.822   3.900   4.712
   80    HA   PHE  13           HA       PHE  13   1.482   4.660   2.314
   81   1HB   PHE  13          2HB       PHE  13   0.130   4.213   4.148
   82   2HB   PHE  13          3HB       PHE  13   1.104   5.196   5.258
   83    HD1  PHE  13           1HD      PHE  13  -1.387   5.316   2.479
   84    HD2  PHE  13           2HD      PHE  13   0.656   7.538   5.565
   85    HE1  PHE  13           1HE      PHE  13  -2.950   7.212   2.162
   86    HE2  PHE  13           2HE      PHE  13  -0.893   9.445   5.221
   87    HZ   PHE  13           HZ       PHE  13  -2.693   9.286   3.518
   88    H    ASN  14           H        ASN  14   1.351   6.408   1.178
   89    HA   ASN  14           HA       ASN  14   1.822   9.084   2.076
   90   1HB   ASN  14          2HB       ASN  14   4.191   8.634   1.680
   91   2HB   ASN  14          3HB       ASN  14   3.825   7.871   0.125
   92   1HD2  ASN  14          2HD2      ASN  14   5.557   9.493  -0.534
   93   2HD2  ASN  14          1HD2      ASN  14   4.946  11.067  -1.032
   94    H    VAL  15           H        VAL  15  -0.191   9.569   1.336
   95    HA   VAL  15           HA       VAL  15  -1.458   8.240  -0.757
   96    HB   VAL  15           HB       VAL  15  -2.443   9.276   1.210
   97   1HG1  VAL  15          1HG1      VAL  15  -1.561  11.538   1.068
   98   2HG1  VAL  15          2HG1      VAL  15  -2.613  11.845  -0.344
   99   3HG1  VAL  15          3HG1      VAL  15  -3.317  11.459   1.254
  100   1HG2  VAL  15          1HG2      VAL  15  -3.953   9.805  -1.333
  101   2HG2  VAL  15          2HG2      VAL  15  -3.753   8.225  -0.524
  102   3HG2  VAL  15          3HG2      VAL  15  -4.608   9.535   0.298
  103    H    ASP  16           H        ASP  16   0.846  10.611  -1.280
  104    HA   ASP  16           HA       ASP  16  -0.074  11.603  -3.858
  105   1HB   ASP  16          2HB       ASP  16   1.582  12.742  -2.381
  106   2HB   ASP  16          3HB       ASP  16   2.711  11.409  -2.673
  107    H    LYS  17           H        LYS  17   1.464   8.610  -2.810
  108    HA   LYS  17           HA       LYS  17   2.758   7.867  -5.290
  109   1HB   LYS  17          2HB       LYS  17   1.751   6.182  -2.957
  110   2HB   LYS  17          3HB       LYS  17   2.726   5.554  -4.280
  111   1HG   LYS  17          2HG       LYS  17   4.641   6.808  -3.618
  112   2HG   LYS  17          3HG       LYS  17   3.712   7.779  -2.450
  113   1HD   LYS  17          2HD       LYS  17   3.250   5.857  -1.067
  114   2HD   LYS  17          3HD       LYS  17   3.920   4.742  -2.257
  115   1HE   LYS  17          2HE       LYS  17   5.595   6.877  -0.865
  116   2HE   LYS  17          3HE       LYS  17   5.336   5.253  -0.200
  117   1HZ   LYS  17          1HZ       LYS  17   6.283   4.320  -2.220
  118   2HZ   LYS  17          2HZ       LYS  17   6.612   5.816  -2.821
  119   3HZ   LYS  17          3HZ       LYS  17   7.369   5.288  -1.470
  120    H    LYS  18           H        LYS  18   2.133   6.513  -6.940
  121    HA   LYS  18           HA       LYS  18  -0.585   6.473  -7.740
  122   1HB   LYS  18          2HB       LYS  18   1.341   6.467  -9.273
  123   2HB   LYS  18          3HB       LYS  18   1.735   4.813  -8.788
  124   1HG   LYS  18          2HG       LYS  18   0.632   4.848 -10.956
  125   2HG   LYS  18          3HG       LYS  18  -0.411   4.033  -9.781
  126   1HD   LYS  18          2HD       LYS  18  -1.703   6.182  -9.522
  127   2HD   LYS  18          3HD       LYS  18  -0.676   6.913 -10.771
  128   1HE   LYS  18          2HE       LYS  18  -1.413   5.169 -12.386
  129   2HE   LYS  18          3HE       LYS  18  -2.434   4.443 -11.138
  130   1HZ   LYS  18          1HZ       LYS  18  -3.706   6.522 -11.063
  131   2HZ   LYS  18          2HZ       LYS  18  -2.761   7.196 -12.215
  132   3HZ   LYS  18          3HZ       LYS  18  -3.712   5.923 -12.579
  133    H    CYS  19           H        CYS  19   1.139   4.093  -5.855
  134    HA   CYS  19           HA       CYS  19  -1.453   2.660  -5.462
  135   1HB   CYS  19          2HB       CYS  19   0.015   1.112  -6.743
  136   2HB   CYS  19          3HB       CYS  19   1.281   1.325  -5.522
  137    H    GLN  20           H        GLN  20  -2.051   2.590  -3.414
  138    HA   GLN  20           HA       GLN  20  -0.098   3.189  -1.235
  139   1HB   GLN  20          2HB       GLN  20  -3.113   2.794  -1.171
  140   2HB   GLN  20          3HB       GLN  20  -2.080   3.258   0.200
  141   1HG   GLN  20          2HG       GLN  20  -2.724   4.903  -2.269
  142   2HG   GLN  20          3HG       GLN  20  -3.124   5.257  -0.580
  143   1HE2  GLN  20          2HE2      GLN  20  -1.074   6.302  -2.995
  144   2HE2  GLN  20          1HE2      GLN  20   0.200   6.858  -1.901
  145    H    CYS  21           H        CYS  21   0.969   1.160  -2.104
  146    HA   CYS  21           HA       CYS  21  -0.356  -1.416  -1.630
  147   1HB   CYS  21          2HB       CYS  21   2.424  -0.538  -2.466
  148   2HB   CYS  21          3HB       CYS  21   1.969  -2.225  -2.262
  149    H    ASP  22           H        ASP  22  -0.524  -0.044   0.736
  150    HA   ASP  22           HA       ASP  22   1.433  -1.279   2.599
  151   1HB   ASP  22          2HB       ASP  22   2.276   0.967   1.842
  152   2HB   ASP  22          3HB       ASP  22   0.802   1.702   2.500
  153    H    GLU  23           H        GLU  23   0.891  -0.882   4.862
  154    HA   GLU  23           HA       GLU  23  -1.447  -2.198   5.507
  155   1HB   GLU  23          2HB       GLU  23   0.229  -0.513   7.396
  156   2HB   GLU  23          3HB       GLU  23  -0.723  -1.946   7.794
  157   1HG   GLU  23          2HG       GLU  23   0.791  -3.311   6.325
  158   2HG   GLU  23          3HG       GLU  23   1.801  -1.880   6.072
  159    H    LEU  24           H        LEU  24  -1.400   1.202   4.997
  160    HA   LEU  24           HA       LEU  24  -3.853   1.652   6.680
  161   1HB   LEU  24          2HB       LEU  24  -1.803   3.601   5.565
  162   2HB   LEU  24          3HB       LEU  24  -3.240   4.058   6.473
  163    HG   LEU  24           HG       LEU  24  -0.936   2.395   7.569
  164   1HD1  LEU  24          1HD1      LEU  24  -1.777   5.273   8.110
  165   2HD1  LEU  24          2HD1      LEU  24  -0.448   4.399   8.905
  166   3HD1  LEU  24          3HD1      LEU  24  -0.357   4.760   7.175
  167   1HD2  LEU  24          1HD2      LEU  24  -3.018   1.790   8.719
  168   2HD2  LEU  24          2HD2      LEU  24  -2.034   2.802   9.777
  169   3HD2  LEU  24          3HD2      LEU  24  -3.433   3.506   8.932
  170    H    CYS  25           H        CYS  25  -3.151   0.960   3.483
  171    HA   CYS  25           HA       CYS  25  -4.431   3.077   2.104
  172   1HB   CYS  25          2HB       CYS  25  -4.256   1.662   0.208
  173   2HB   CYS  25          3HB       CYS  25  -2.840   1.393   1.250
  174    H    SER  26           H        SER  26  -5.921   0.170   3.534
  175    HA   SER  26           HA       SER  26  -8.307   0.248   1.949
  176   1HB   SER  26          2HB       SER  26  -9.167  -1.388   3.499
  177   2HB   SER  26          3HB       SER  26  -7.489  -1.756   3.092
  178    HG   SER  26           HG       SER  26  -7.879  -1.919   5.361
  179    H    TYR  27           H        TYR  27  -7.387   1.922   4.871
  180    HA   TYR  27           HA       TYR  27  -9.942   3.084   5.552
  181   1HB   TYR  27          2HB       TYR  27  -8.411   3.025   7.270
  182   2HB   TYR  27          3HB       TYR  27  -7.057   3.454   6.262
  183    HD1  TYR  27           1HD      TYR  27  -6.196   5.597   6.202
  184    HD2  TYR  27           2HD      TYR  27 -10.134   4.932   7.828
  185    HE1  TYR  27           1HE      TYR  27  -6.269   7.964   6.972
  186    HE2  TYR  27           2HE      TYR  27 -10.201   7.293   8.628
  187    HH   TYR  27           HH       TYR  27  -9.097   9.294   8.752
  188    H    TYR  28           H        TYR  28  -7.652   3.780   3.008
  189    HA   TYR  28           HA       TYR  28  -9.087   6.299   2.265
  190   1HB   TYR  28          2HB       TYR  28  -6.362   5.178   1.528
  191   2HB   TYR  28          3HB       TYR  28  -7.100   6.557   0.714
  192    HD1  TYR  28           1HD      TYR  28  -5.187   5.506   3.622
  193    HD2  TYR  28           2HD      TYR  28  -7.635   8.655   1.963
  194    HE1  TYR  28           1HE      TYR  28  -4.206   7.124   5.231
  195    HE2  TYR  28           2HE      TYR  28  -6.648  10.273   3.586
  196    HH   TYR  28           HH       TYR  28  -4.159   9.297   5.971
  197    H    GLN  29           H        GLN  29  -9.078   3.015   1.482
  198    HA   GLN  29           HA       GLN  29  -9.674   1.716  -0.238
  199   1HB   GLN  29          2HB       GLN  29 -11.513   3.987  -1.076
  200   2HB   GLN  29          3HB       GLN  29 -11.627   2.291  -1.528
  201   1HG   GLN  29          2HG       GLN  29 -13.227   2.454   0.125
  202   2HG   GLN  29          3HG       GLN  29 -11.850   1.763   0.987
  203   1HE2  GLN  29          2HE2      GLN  29 -11.437   2.762   2.962
  204   2HE2  GLN  29          1HE2      GLN  29 -11.904   4.426   3.343
  205    H    SER  30           H        SER  30  -7.275   3.106  -0.684
  206    HA   SER  30           HA       SER  30  -7.204   3.528  -3.650
  207   1HB   SER  30          2HB       SER  30  -5.487   5.251  -3.160
  208   2HB   SER  30          3HB       SER  30  -7.075   5.607  -2.446
  209    HG   SER  30           HG       SER  30  -5.400   5.933  -0.939
  210    H    CYS  31           H        CYS  31  -6.488   1.119  -1.884
  211    HA   CYS  31           HA       CYS  31  -3.719   0.527  -2.059
  212   1HB   CYS  31          2HB       CYS  31  -6.031  -1.425  -2.278
  213   2HB   CYS  31          3HB       CYS  31  -4.411  -1.682  -1.603
  214    H    CYS  32           H        CYS  32  -2.707  -1.243  -3.470
  215    HA   CYS  32           HA       CYS  32  -2.853  -1.054  -6.198
  216   1HB   CYS  32          2HB       CYS  32  -2.396  -3.746  -5.996
  217   2HB   CYS  32          3HB       CYS  32  -1.176  -2.500  -5.834
  218    H    THR  33           H        THR  33  -3.766  -2.147  -7.908
  219    HA   THR  33           HA       THR  33  -6.479  -2.293  -8.081
  220    HB   THR  33           HB       THR  33  -4.649  -4.016  -9.782
  221    HG1  THR  33           1HG      THR  33  -4.259  -2.132 -10.951
  222   1HG2  THR  33          1HG2      THR  33  -7.030  -4.179 -10.403
  223   2HG2  THR  33          2HG2      THR  33  -7.163  -2.406 -10.436
  224   3HG2  THR  33          3HG2      THR  33  -6.149  -3.258 -11.624
  225    H    ASP  34           H        ASP  34  -4.470  -4.970  -6.996
  226    HA   ASP  34           HA       ASP  34  -6.920  -6.608  -6.476
  227   1HB   ASP  34          2HB       ASP  34  -4.212  -7.569  -7.476
  228   2HB   ASP  34          3HB       ASP  34  -5.560  -8.612  -6.991
  229    H    TYR  35           H        TYR  35  -5.109  -4.754  -4.748
  230    HA   TYR  35           HA       TYR  35  -3.500  -5.756  -2.915
  231   1HB   TYR  35          2HB       TYR  35  -4.324  -3.495  -2.791
  232   2HB   TYR  35          3HB       TYR  35  -5.931  -4.058  -2.345
  233    HD1  TYR  35           1HD      TYR  35  -2.439  -3.556  -1.108
  234    HD2  TYR  35           2HD      TYR  35  -6.488  -4.653  -0.070
  235    HE1  TYR  35           1HE      TYR  35  -1.881  -3.324   1.294
  236    HE2  TYR  35           2HE      TYR  35  -5.943  -4.343   2.330
  237    HH   TYR  35           HH       TYR  35  -4.373  -3.704   3.856
  238    H    THR  36           H        THR  36  -7.032  -6.205  -2.257
  239    HA   THR  36           HA       THR  36  -6.560  -7.656   0.085
  240    HB   THR  36           HB       THR  36  -9.129  -8.125  -1.392
  241    HG1  THR  36           1HG      THR  36  -9.789  -6.030  -0.902
  242   1HG2  THR  36          1HG2      THR  36  -8.914  -8.836   0.972
  243   2HG2  THR  36          2HG2      THR  36  -8.403  -7.198   1.434
  244   3HG2  THR  36          3HG2      THR  36 -10.057  -7.494   0.846
  245    H    ALA  37           H        ALA  37  -6.107  -8.884  -3.041
  246    HA   ALA  37           HA       ALA  37  -6.119 -11.694  -1.996
  247   1HB   ALA  37          1HB       ALA  37  -7.858 -11.344  -3.703
  248   2HB   ALA  37          2HB       ALA  37  -6.634 -10.717  -4.834
  249   3HB   ALA  37          3HB       ALA  37  -6.573 -12.411  -4.302
  250    H    GLU  38           H        GLU  38  -4.288  -9.226  -3.770
  251    HA   GLU  38           HA       GLU  38  -2.019 -11.147  -4.138
  252   1HB   GLU  38          2HB       GLU  38  -2.773  -8.667  -5.713
  253   2HB   GLU  38          3HB       GLU  38  -1.406  -9.727  -6.054
  254   1HG   GLU  38          2HG       GLU  38  -4.350 -10.495  -6.211
  255   2HG   GLU  38          3HG       GLU  38  -3.281 -10.167  -7.567
  256    H    CYS  39           H        CYS  39  -2.737  -8.123  -2.517
  257    HA   CYS  39           HA       CYS  39   0.183  -7.847  -1.950
  258   1HB   CYS  39          2HB       CYS  39  -1.624  -5.508  -1.656
  259   2HB   CYS  39          3HB       CYS  39   0.095  -5.533  -1.927
  260    H    LYS  40           H        LYS  40  -2.803  -8.507  -0.537
  261    HA   LYS  40           HA       LYS  40  -3.133  -7.198   1.714
  262   1HB   LYS  40          2HB       LYS  40  -4.591  -8.895   0.790
  263   2HB   LYS  40          3HB       LYS  40  -3.547 -10.180   1.409
  264   1HG   LYS  40          2HG       LYS  40  -4.018  -9.543   3.702
  265   2HG   LYS  40          3HG       LYS  40  -4.860  -8.063   3.179
  266   1HD   LYS  40          2HD       LYS  40  -6.646  -9.365   2.163
  267   2HD   LYS  40          3HD       LYS  40  -5.775 -10.886   2.472
  268   1HE   LYS  40          2HE       LYS  40  -5.876 -10.437   4.902
  269   2HE   LYS  40          3HE       LYS  40  -6.778  -8.945   4.609
  270   1HZ   LYS  40          1HZ       LYS  40  -8.593 -10.245   3.709
  271   2HZ   LYS  40          2HZ       LYS  40  -7.742 -11.640   3.799
  272   3HZ   LYS  40          3HZ       LYS  40  -8.205 -10.890   5.167
  273    HA   PRO  41           HA       PRO  41   0.324  -8.358   4.522
  274   1HB   PRO  41          2HB       PRO  41   0.451  -6.046   5.909
  275   2HB   PRO  41          3HB       PRO  41   1.001  -6.121   4.210
  276   1HG   PRO  41          2HG       PRO  41  -1.637  -5.084   5.273
  277   2HG   PRO  41          3HG       PRO  41  -0.568  -4.365   4.021
  278   1HD   PRO  41          2HD       PRO  41  -2.788  -6.018   3.544
  279   2HD   PRO  41          3HD       PRO  41  -1.480  -5.686   2.374
  280    H    GLN  42           H        GLN  42   0.241  -7.955   7.086
  281    HA   GLN  42           HA       GLN  42  -0.616  -9.098   8.922
  282   1HB   GLN  42          2HB       GLN  42  -2.449  -6.683   8.694
  283   2HB   GLN  42          3HB       GLN  42  -2.003  -7.570  10.166
  284   1HG   GLN  42          2HG       GLN  42   0.418  -6.907   9.686
  285   2HG   GLN  42          3HG       GLN  42  -0.206  -5.833   8.427
  286   1HE2  GLN  42          2HE2      GLN  42   1.066  -4.304  10.053
  287   2HE2  GLN  42          1HE2      GLN  42   0.162  -3.767  11.498
  288    H    VAL  43           H        VAL  43  -1.475 -10.936   7.581
  289    HA   VAL  43           HA       VAL  43  -3.985 -11.245   6.586
  290    HB   VAL  43           HB       VAL  43  -2.175 -12.823   6.285
  291   1HG1  VAL  43          1HG1      VAL  43  -1.385 -13.072   8.634
  292   2HG1  VAL  43          2HG1      VAL  43  -2.850 -14.006   9.008
  293   3HG1  VAL  43          3HG1      VAL  43  -1.678 -14.620   7.829
  294   1HG2  VAL  43          1HG2      VAL  43  -4.502 -13.460   5.702
  295   2HG2  VAL  43          2HG2      VAL  43  -3.482 -14.844   6.118
  296   3HG2  VAL  43          3HG2      VAL  43  -4.668 -14.248   7.291
  297    H    THR  44           H        THR  44  -6.000 -11.650   7.137
  298    HA   THR  44           HA       THR  44  -6.897 -11.150   9.841
  299    HB   THR  44           HB       THR  44  -9.184 -11.368   8.735
  300    HG1  THR  44           1HG      THR  44  -8.627 -12.606   6.967
  301   1HG2  THR  44          1HG2      THR  44  -7.211  -9.395   7.505
  302   2HG2  THR  44          2HG2      THR  44  -8.984  -9.247   7.537
  303   3HG2  THR  44          3HG2      THR  44  -8.065  -9.191   9.050
  304    H    ARG  45           H        ARG  45  -5.668 -13.153  10.530
  305    HA   ARG  45           HA       ARG  45  -6.326 -15.810  10.039
  306   1HB   ARG  45          2HB       ARG  45  -4.401 -15.018  11.341
  307   2HB   ARG  45          3HB       ARG  45  -5.468 -14.482  12.645
  308   1HG   ARG  45          2HG       ARG  45  -6.137 -16.829  13.082
  309   2HG   ARG  45          3HG       ARG  45  -5.082 -17.378  11.755
  310   1HD   ARG  45          2HD       ARG  45  -3.114 -16.540  12.951
  311   2HD   ARG  45          3HD       ARG  45  -4.148 -15.830  14.209
  312    HE   ARG  45           HE       ARG  45  -4.693 -18.637  13.977
  313   1HH1  ARG  45          1HH2      ARG  45  -2.188 -16.544  15.251
  314   2HH1  ARG  45          2HH2      ARG  45  -1.732 -17.688  16.483
  315   1HH2  ARG  45          1HH1      ARG  45  -4.068 -20.045  15.576
  316   2HH2  ARG  45          2HH1      ARG  45  -2.771 -19.619  16.653
  317    H    GLY  46           H        GLY  46  -8.082 -13.656  12.195
  318   1HA   GLY  46          2HA       GLY  46 -10.568 -14.384  12.368
  319   2HA   GLY  46          3HA       GLY  46  -9.908 -15.849  13.108
  320    H    ASP  47           H        ASP  47  -7.768 -14.485  14.520
  321    HA   ASP  47           HA       ASP  47  -9.149 -12.663  16.436
  322   1HB   ASP  47          2HB       ASP  47  -8.954 -15.066  17.233
  323   2HB   ASP  47          3HB       ASP  47  -7.202 -14.882  17.177
  324    H    VAL  48           H        VAL  48  -7.163 -12.476  14.131
  325    HA   VAL  48           HA       VAL  48  -5.474 -10.346  15.267
  326    HB   VAL  48           HB       VAL  48  -4.312 -12.477  13.410
  327   1HG1  VAL  48          1HG1      VAL  48  -3.361 -10.249  12.978
  328   2HG1  VAL  48          2HG1      VAL  48  -3.043 -10.025  14.716
  329   3HG1  VAL  48          3HG1      VAL  48  -2.174 -11.264  13.789
  330   1HG2  VAL  48          1HG2      VAL  48  -2.754 -12.996  15.280
  331   2HG2  VAL  48          2HG2      VAL  48  -3.700 -11.931  16.344
  332   3HG2  VAL  48          3HG2      VAL  48  -4.424 -13.409  15.670
  333    H    PHE  49           H        PHE  49  -5.532  -8.622  13.927
  334    HA   PHE  49           HA       PHE  49  -6.191  -8.798  11.075
  335   1HB   PHE  49          2HB       PHE  49  -8.256  -7.468  11.247
  336   2HB   PHE  49          3HB       PHE  49  -8.413  -9.046  12.009
  337    HD1  PHE  49           1HD      PHE  49  -8.591  -9.264  14.483
  338    HD2  PHE  49           2HD      PHE  49  -8.386  -5.410  12.562
  339    HE1  PHE  49           1HE      PHE  49  -9.342  -8.174  16.584
  340    HE2  PHE  49           2HE      PHE  49  -9.132  -4.321  14.665
  341    HZ   PHE  49           HZ       PHE  49  -9.606  -5.701  16.682
  342    H    THR  50           H        THR  50  -5.471  -6.764  13.903
  343    HA   THR  50           HA       THR  50  -3.986  -4.885  12.139
  344    HB   THR  50           HB       THR  50  -5.906  -4.038  14.344
  345    HG1  THR  50           1HG      THR  50  -6.931  -2.969  12.632
  346   1HG2  THR  50          1HG2      THR  50  -4.045  -2.383  12.573
  347   2HG2  THR  50          2HG2      THR  50  -5.330  -1.714  13.607
  348   3HG2  THR  50          3HG2      THR  50  -3.958  -2.540  14.343
  349    H    MET  51           H        MET  51  -2.032  -4.481  12.868
  350    HA   MET  51           HA       MET  51  -1.220  -4.790  15.721
  351   1HB   MET  51          2HB       MET  51   0.145  -6.033  13.293
  352   2HB   MET  51          3HB       MET  51   0.810  -5.992  14.927
  353   1HG   MET  51          2HG       MET  51  -1.093  -7.324  15.755
  354   2HG   MET  51          3HG       MET  51  -1.760  -7.412  14.116
  355   1HE   MET  51          1HE       MET  51   0.633  -7.999  12.174
  356   2HE   MET  51          2HE       MET  51   0.626  -9.774  12.211
  357   3HE   MET  51          3HE       MET  51  -0.912  -8.883  12.203