*HEADER    HYDROLASE                               03-DEC-01   1KIO              
*TITLE     SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR             
*TITLE    2 SGCI[L30R, K31M]                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERINE PROTEASE INHIBITOR I;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 57-91;                                            
*COMPND   5 SYNONYM: SCHISTOCERCA GREGARIA CHYMOTRYPSIN INHIBITOR                
*COMPND   6 (SGCI);                                                              
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS, FMOC                   
*SOURCE   4 STRATEGY, SEQUENCE NATURALLY FOUND IN SCHISTOCERCA                   
*SOURCE   5 GREGARIA (DESERT LOCUST)                                             
*KEYWDS    SPECIFICITY, PROTEASE INHIBITOR, MODIFIED SPECIFICITY                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Z.GASPARI, A.PATTHY, L.GRAF, A.PERCZEL                                
*REVDAT   1   12-DEC-01 1KIO    0                                                

assign (resid    1 and name HA    )(resid    2 and name HN    ) 1.8 0.0 1.7
assign (resid    2 and name HA    )(resid    2 and name HB    ) 1.8 0.0 3.2
assign (resid    2 and name HA    )(resid    2 and name HG1#  ) 1.8 0.0 3.2
assign (resid    2 and name HA    )(resid    2 and name HG2#  ) 1.8 0.0 3.2
assign (resid    2 and name HA    )(resid    3 and name HN    ) 1.8 0.0 1.7
assign (resid    2 and name HB    )(resid    2 and name HG1#  ) 1.8 0.0 3.2
assign (resid    2 and name HB    )(resid    2 and name HG2#  ) 1.8 0.0 3.2
assign (resid    2 and name HB    )(resid    2 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HB    )(resid    3 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HB    )(resid   25 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid    3 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid   10 and name HE#   ) 1.8 0.0 5.35 
assign (resid    2 and name HG1#  )(resid   10 and name HZ    ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid   25 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid    2 and name HG1#  )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid    3 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid   10 and name HE#   ) 1.8 0.0 5.35 
assign (resid    2 and name HG2#  )(resid   10 and name HZ    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid   25 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    2 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    2 and name HG1#  ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    2 and name HG2#  ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HA    )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    3 and name HB    )(resid    3 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HB    )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    3 and name HG2#  )(resid    3 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HG2#  )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid    3 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid    3 and name HB    ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid    3 and name HG2#  ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid    4 and name HB1   ) 1.8 0.0 3.2 
assign (resid    3 and name HN    )(resid    4 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid    4 and name HB1   ) 1.8 0.0 3.2 
assign (resid    3 and name HN    )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    4 and name HA    )(resid    5 and name HB2   ) 1.8 0.0 3.2 
assign (resid    4 and name HA    )(resid    5 and name HN    ) 1.8 0.0 1.7
assign (resid    4 and name HB1   )(resid    4 and name HA    ) 1.8 0.0 1.7
assign (resid    4 and name HB1   )(resid    4 and name HB2   ) 1.8 0.0 1.7
assign (resid    4 and name HB1   )(resid    5 and name HN    ) 1.8 0.0 3.2
assign (resid    4 and name HB1   )(resid   10 and name HD#   ) 1.8 0.0 5.35 
assign (resid    4 and name HB1   )(resid   10 and name HE#   ) 1.8 0.0 5.35 
assign (resid    4 and name HB1   )(resid   10 and name HZ    ) 1.8 0.0 3.2
assign (resid    4 and name HB2   )(resid    4 and name HA    ) 1.8 0.0 1.7
assign (resid    4 and name HB2   )(resid    5 and name HN    ) 1.8 0.0 1.7 
assign (resid    4 and name HB2   )(resid   10 and name HD#   ) 1.8 0.0 5.35 
assign (resid    4 and name HB2   )(resid   10 and name HE#   ) 1.8 0.0 5.35 
assign (resid    4 and name HB2   )(resid   10 and name HZ    ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid    4 and name HA    ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid    4 and name HB1   ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid    4 and name HB2   ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid    5 and name HA    )(resid    6 and name HB1   ) 1.8 0.0 3.2
assign (resid    5 and name HA    )(resid    6 and name HD1   ) 1.8 0.0 1.7 
assign (resid    5 and name HA    )(resid    6 and name HD2   ) 1.8 0.0 1.7 
assign (resid    5 and name HA    )(resid    6 and name HG1   ) 1.8 0.0 3.2
assign (resid    5 and name HA    )(resid    6 and name HG2   ) 1.8 0.0 3.2
assign (resid    5 and name HB1   )(resid    5 and name HA    ) 1.8 0.0 3.2
assign (resid    5 and name HB2   )(resid    5 and name HA    ) 1.8 0.0 3.2
assign (resid    5 and name HN    )(resid    5 and name HA    ) 1.8 0.0 3.2
assign (resid    5 and name HN    )(resid   19 and name HB1   ) 1.8 0.0 3.2
assign (resid    5 and name HN    )(resid   19 and name HB2   ) 1.8 0.0 3.2
assign (resid    6 and (name HG1 or name HG2))(resid   23 and (name HA1 or name HA2)) 1.8 0.0 3.2
assign (resid    6 and name HA    )(resid    6 and name HB1   ) 1.8 0.0 3.2
assign (resid    6 and name HA    )(resid    6 and name HB2   ) 1.8 0.0 3.2 
assign (resid    6 and name HA    )(resid    7 and name HN    ) 1.8 0.0 1.7
assign (resid    6 and name HA    )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    6 and name HA    )(resid   19 and name HB1   ) 1.8 0.0 3.2
assign (resid    6 and name HA    )(resid   19 and name HB2   ) 1.8 0.0 3.2
assign (resid    6 and name HB1   )(resid    7 and name HN    ) 1.8 0.0 3.2
assign (resid    6 and name HB1   )(resid   21 and name HA    ) 1.8 0.0 3.2
assign (resid    6 and name HB1   )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid    6 and name HB2   )(resid    7 and name HN    ) 1.8 0.0 3.2
assign (resid    6 and name HB2   )(resid   21 and name HA    ) 1.8 0.0 3.2
assign (resid    6 and name HB2   )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid    6 and name HD1   )(resid    6 and name HA    ) 1.8 0.0 3.2
assign (resid    6 and name HD1   )(resid    6 and name HD2   ) 1.8 0.0 1.7
assign (resid    6 and name HG1   )(resid    6 and name HA    ) 1.8 0.0 3.2
assign (resid    6 and name HG1   )(resid    6 and name HB2   ) 1.8 0.0 3.2
assign (resid    6 and name HG1   )(resid    6 and name HD1   ) 1.8 0.0 3.2
assign (resid    6 and name HG1   )(resid    6 and name HD2   ) 1.8 0.0 3.2
assign (resid    6 and name HG1   )(resid    6 and name HG2   ) 1.8 0.0 1.7
assign (resid    6 and name HG1   )(resid   21 and name HA    ) 1.8 0.0 3.2
assign (resid    6 and name HG1   )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid    6 and name HG2   )(resid    6 and name HA    ) 1.8 0.0 3.2
assign (resid    6 and name HG2   )(resid    6 and name HB2   ) 1.8 0.0 1.7
assign (resid    6 and name HG2   )(resid    6 and name HD1   ) 1.8 0.0 3.2
assign (resid    6 and name HG2   )(resid    6 and name HD2   ) 1.8 0.0 3.2
assign (resid    6 and name HG2   )(resid   21 and name HA    ) 1.8 0.0 3.2 
assign (resid    6 and name HG2   )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HA1   )(resid    7 and name HA2   ) 1.8 0.0 1.7
assign (resid    7 and name HA1   )(resid    7 and name HN    ) 1.8 0.0 1.7
assign (resid    7 and name HA1   )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HA2   )(resid    7 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HA2   )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid   19 and name HB1   ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid   19 and name HB2   ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid   21 and name HA    ) 1.8 0.0 3.2
assign (resid    8 and name HA    )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HA    )(resid    9 and name HB    ) 1.8 0.0 3.2
assign (resid    8 and name HA    )(resid    9 and name HG2#  ) 1.8 0.0 3.2
assign (resid    8 and name HB    )(resid    8 and name HA    ) 1.8 0.0 3.2
assign (resid    8 and name HB    )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HB    )(resid    9 and name HN    ) 1.8 0.0 1.7
assign (resid    8 and name HB    )(resid   10 and name HD#   ) 1.8 0.0 5.35 
assign (resid    8 and name HG2#  )(resid    8 and name HA    ) 1.8 0.0 3.2
assign (resid    8 and name HG2#  )(resid    8 and name HB    ) 1.8 0.0 1.7
assign (resid    8 and name HG2#  )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HG2#  )(resid    9 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HG2#  )(resid   10 and name HD#   ) 1.8 0.0 5.35 
assign (resid    8 and name HN    )(resid    9 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid   19 and name HB1   ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid   19 and name HB2   ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid    9 and name HB    ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid    9 and name HG2#  ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   10 and name HB#   ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   10 and name HD#   ) 1.8 0.0 5.35 
assign (resid    9 and name HA    )(resid   10 and name HE#   ) 1.8 0.0 5.35 
assign (resid    9 and name HA    )(resid   10 and name HN    ) 1.8 0.0 1.7
assign (resid    9 and name HA    )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   18 and name HB1   ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   18 and name HB2   ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HB    )(resid    9 and name HG2#  ) 1.8 0.0 1.7
assign (resid    9 and name HB    )(resid   10 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HG2#  )(resid    9 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HG2#  )(resid   10 and name HA    ) 1.8 0.0 3.2
assign (resid    9 and name HG2#  )(resid   10 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HG2#  )(resid   18 and name HA    ) 1.8 0.0 3.2    
assign (resid    9 and name HG2#  )(resid   18 and name HD#   ) 1.8 0.0 3.2
assign (resid    9 and name HN    )(resid    9 and name HA    ) 1.8 0.0 3.2
assign (resid    9 and name HN    )(resid    9 and name HB    ) 1.8 0.0 1.7
assign (resid    9 and name HN    )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid    9 and name HN    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HA    )(resid   10 and name HB#   ) 1.8 0.0 1.7
assign (resid   10 and name HA    )(resid   10 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HA    )(resid   11 and name HB1   ) 1.8 0.0 3.2
assign (resid   10 and name HA    )(resid   11 and name HB2   ) 1.8 0.0 3.2
assign (resid   10 and name HA    )(resid   11 and name HN    ) 1.8 0.0 1.7
assign (resid   10 and name HB#   )(resid   10 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HB#   )(resid   11 and name HN    ) 1.8 0.0 1.7
assign (resid   10 and name HD#   )(resid   10 and name HA    ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   26 and name HB#   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   10 and name HN    ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   11 and name HN    ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   12 and name HB1   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   12 and name HB2   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   17 and name HB1   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   17 and name HB2   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   18 and name HA    ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   19 and name HB1   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   19 and name HB2   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   19 and name HN    ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   10 and name HB#   ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   10 and name HN    ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   11 and name HN    ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   12 and name HB1   ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   12 and name HB2   ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   17 and name HB1   ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   17 and name HB2   ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   18 and name HA    ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   19 and name HB1   ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   19 and name HB2   ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   19 and name HN    ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   20 and name HN    ) 1.8 0.0 5.35 
assign (resid   10 and name HE#   )(resid   26 and name HB#   ) 1.8 0.0 5.35 
assign (resid   10 and name HN    )(resid   11 and name HA    ) 1.8 0.0 3.2
assign (resid   10 and name HN    )(resid   11 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HN    )(resid   16 and name HA    ) 1.8 0.0 3.2    
assign (resid   10 and name HN    )(resid   16 and name HB    ) 1.8 0.0 3.2
assign (resid   10 and name HN    )(resid   17 and name HB1   ) 1.8 0.0 3.2
assign (resid   10 and name HN    )(resid   17 and name HB2   ) 1.8 0.0 3.2
assign (resid   10 and name HN    )(resid   17 and name HN    ) 1.8 0.0 1.7 
assign (resid   10 and name HN    )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid   10 and name HN    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HZ    )(resid   12 and name HB1   ) 1.8 0.0 3.2
assign (resid   10 and name HZ    )(resid   12 and name HB2   ) 1.8 0.0 3.2 
assign (resid   10 and name HZ    )(resid   17 and name HB1   ) 1.8 0.0 3.2
assign (resid   10 and name HZ    )(resid   17 and name HB2   ) 1.8 0.0 3.2
assign (resid   10 and name HZ    )(resid   19 and name HB2   ) 1.8 0.0 3.2 
assign (resid   10 and name HZ    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HZ    )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid   11 and name HA    )(resid   11 and name HD#   ) 1.8 0.0 3.2
assign (resid   11 and name HA    )(resid   11 and name HG1   ) 1.8 0.0 3.2
assign (resid   11 and name HA    )(resid   11 and name HG2   ) 1.8 0.0 3.2
assign (resid   11 and name HA    )(resid   16 and name HG2#  ) 1.8 0.0 3.2
assign (resid   11 and name HA    )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   11 and name HB1   )(resid   11 and name HA    ) 1.8 0.0 3.2
assign (resid   11 and name HB1   )(resid   11 and name HN    ) 1.8 0.0 3.2
assign (resid   11 and name HB1   )(resid   12 and name HN    ) 1.8 0.0 3.2
assign (resid   11 and name HB2   )(resid   11 and name HA    ) 1.8 0.0 3.2
assign (resid   11 and name HB2   )(resid   11 and name HN    ) 1.8 0.0 3.2
assign (resid   11 and name HB2   )(resid   12 and name HN    ) 1.8 0.0 3.2
assign (resid   11 and name HN    )(resid   11 and name HA    ) 1.8 0.0 3.2
assign (resid   11 and name HN    )(resid   11 and name HG1   ) 1.8 0.0 3.2
assign (resid   11 and name HN    )(resid   11 and name HG2   ) 1.8 0.0 3.2
assign (resid   11 and name HN    )(resid   12 and name HN    ) 1.8 0.0 3.2
assign (resid   11 and name HN    )(resid   16 and name HG2#  ) 1.8 0.0 3.2
assign (resid   12 and name HA    )(resid   12 and name HN    ) 1.8 0.0 1.7
assign (resid   12 and name HA    )(resid   13 and name HN    ) 1.8 0.0 1.7
assign (resid   12 and name HB1   )(resid   12 and name HA    ) 1.8 0.0 1.7
assign (resid   12 and name HB1   )(resid   12 and name HB2   ) 1.8 0.0 1.7
assign (resid   12 and name HB1   )(resid   12 and name HN    ) 1.8 0.0 3.2
assign (resid   12 and name HB1   )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   12 and name HB1   )(resid   15 and name HN    ) 1.8 0.0 3.2 
assign (resid   12 and name HB2   )(resid   12 and name HA    ) 1.8 0.0 3.2
assign (resid   12 and name HB2   )(resid   12 and name HN    ) 1.8 0.0 3.2
assign (resid   12 and name HB2   )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   12 and name HN    )(resid   13 and name HB2   ) 1.8 0.0 3.2
assign (resid   12 and name HN    )(resid   13 and name HG1   ) 1.8 0.0 3.2
assign (resid   12 and name HN    )(resid   13 and name HG2   ) 1.8 0.0 3.2
assign (resid   12 and name HN    )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HA    )(resid   13 and name HN    ) 1.8 0.0 1.7
assign (resid   13 and name HA    )(resid   14 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HB1   )(resid   13 and name HA    ) 1.8 0.0 3.2
assign (resid   13 and name HB1   )(resid   13 and name HB2   ) 1.8 0.0 1.7
assign (resid   13 and name HB1   )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HB1   )(resid   14 and (name HB1 or name HB2)) 1.8 0.0 3.2
assign (resid   13 and name HB1   )(resid   14 and name HN    ) 1.8 0.0 1.7
assign (resid   13 and name HB1   )(resid   15 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HB1   )(resid   33 and name HB1   ) 1.8 0.0 3.2
assign (resid   13 and name HB1   )(resid   33 and name HB2   ) 1.8 0.0 3.2
assign (resid   13 and name HB2   )(resid   13 and name HA    ) 1.8 0.0 3.2
assign (resid   13 and name HB2   )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HB2   )(resid   14 and (name HB1 or name HB2)) 1.8 0.0 3.2
assign (resid   13 and name HB2   )(resid   14 and name HN    ) 1.8 0.0 1.7
assign (resid   13 and name HB2   )(resid   15 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HB2   )(resid   33 and name HB1   ) 1.8 0.0 3.2
assign (resid   13 and name HB2   )(resid   33 and name HB2   ) 1.8 0.0 3.2
assign (resid   13 and name HG1   )(resid   13 and name HA    ) 1.8 0.0 3.2
assign (resid   13 and name HG1   )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HG1   )(resid   14 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HG2   )(resid   13 and name HA    ) 1.8 0.0 3.2
assign (resid   13 and name HG2   )(resid   13 and name HN    ) 1.8 0.0 1.7 
assign (resid   13 and name HG2   )(resid   14 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HN    )(resid   14 and name HN    ) 1.8 0.0 3.2
assign (resid   14 and (name HB2 or name HB1))(resid   34 and name HD1   ) 1.8 0.0 3.2
assign (resid   14 and (name HB2 or name HB1))(resid   34 and name HD2   ) 1.8 0.0 3.2
assign (resid   14 and name HA    )(resid   15 and name HN    ) 1.8 0.0 3.2
assign (resid   14 and name HB1   )(resid   14 and name HA    ) 1.8 0.0 1.7
assign (resid   14 and name HB1   )(resid   14 and name HB2   ) 1.8 0.0 1.7
assign (resid   14 and name HB1   )(resid   15 and name HN    ) 1.8 0.0 3.2
assign (resid   14 and name HB1   )(resid   33 and name HB1   ) 1.8 0.0 3.2 
assign (resid   14 and name HB1   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HB2   )(resid   14 and name HA    ) 1.8 0.0 1.7
assign (resid   14 and name HB2   )(resid   15 and name HN    ) 1.8 0.0 3.2
assign (resid   14 and name HB2   )(resid   33 and name HB1   ) 1.8 0.0 3.2 
assign (resid   14 and name HB2   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   14 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   14 and name HB1   ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   14 and name HB2   ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   15 and (name HB1 or name HB2)) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   15 and name HN    ) 1.8 0.0 3.2 
assign (resid   14 and name HN    )(resid   32 and name HN    ) 1.8 0.0 3.2 
assign (resid   14 and name HN    )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   33 and name HB1   ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   33 and name HB2   ) 1.8 0.0 3.2
assign (resid   15 and name HB2   )(resid   28 and name HA    ) 1.8 0.0 3.2 
assign (resid   15 and name HB1   )(resid   15 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and name HB1   )(resid   15 and name HB2   ) 1.8 0.0 1.7
assign (resid   15 and name HB1   )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HB1   )(resid   30 and name HA    ) 1.8 0.0 3.2 
assign (resid   15 and name HB1   )(resid   30 and name HN    ) 1.8 0.0 3.2  
assign (resid   15 and name HB1   )(resid   31 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HB1   )(resid   32 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HB2   )(resid   15 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and name HB2   )(resid   28 and name HA    ) 1.8 0.0 3.2 
assign (resid   15 and name HB2   )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HB2   )(resid   30 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and name HB2   )(resid   30 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HB2   )(resid   31 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HB2   )(resid   32 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HD21  )(resid   15 and name HB1   ) 1.8 0.0 3.2
assign (resid   15 and name HD21  )(resid   15 and name HB2   ) 1.8 0.0 3.2
assign (resid   15 and name HD21  )(resid   15 and name HD22  ) 1.8 0.0 1.7
assign (resid   15 and name HD21  )(resid   30 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HD21  )(resid   31 and name HB1   ) 1.8 0.0 3.2 
assign (resid   15 and name HD21  )(resid   31 and name HB2   ) 1.8 0.0 3.2 
assign (resid   15 and name HD21  )(resid   31 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HD21  )(resid   32 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HD22  )(resid   15 and name HB1   ) 1.8 0.0 3.2
assign (resid   15 and name HD22  )(resid   15 and name HB2   ) 1.8 0.0 3.2 
assign (resid   15 and name HD22  )(resid   30 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HD22  )(resid   31 and name HB1   ) 1.8 0.0 3.2 
assign (resid   15 and name HD22  )(resid   31 and name HB2   ) 1.8 0.0 3.2 
assign (resid   15 and name HD22  )(resid   31 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HD22  )(resid   32 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HN    )(resid   15 and name HA    ) 1.8 0.0 1.7
assign (resid   15 and name HN    )(resid   15 and name HB1   ) 1.8 0.0 3.2
assign (resid   15 and name HN    )(resid   15 and name HB2   ) 1.8 0.0 3.2 
assign (resid   16 and name HA    )(resid   16 and name HB    ) 1.8 0.0 3.2
assign (resid   16 and name HA    )(resid   16 and name HG2#  ) 1.8 0.0 3.2
assign (resid   16 and name HA    )(resid   16 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HA    )(resid   17 and name HB2   ) 1.8 0.0 3.2
assign (resid   16 and name HA    )(resid   17 and name HN    ) 1.8 0.0 1.7
assign (resid   16 and name HB    )(resid   16 and name HG2#  ) 1.8 0.0 1.7
assign (resid   16 and name HB    )(resid   16 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HB    )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HB    )(resid   29 and name HG2#  ) 1.8 0.0 3.2
assign (resid   16 and name HB    )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HG2#  )(resid   17 and name HN    ) 1.8 0.0 1.7 
assign (resid   16 and name HG2#  )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   16 and name HG2#  ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   29 and name HG2#  ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HB2   )(resid   28 and name HA    ) 1.8 0.0 3.2 
assign (resid   17 and name HA    )(resid   18 and name HB1   ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   18 and name HB2   ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   18 and name HN    ) 1.8 0.0 1.7
assign (resid   17 and name HA    )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   28 and name HA    ) 1.8 0.0 1.7 
assign (resid   17 and name HA    )(resid   28 and name HB1   ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   28 and name HB2   ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HB1   )(resid   17 and name HA    ) 1.8 0.0 3.2
assign (resid   17 and name HB1   )(resid   17 and name HB2   ) 1.8 0.0 1.7
assign (resid   17 and name HB1   )(resid   17 and name HN    ) 1.8 0.0 3.2 
assign (resid   17 and name HB1   )(resid   18 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HB1   )(resid   26 and name HB#   ) 1.8 0.0 1.7
assign (resid   17 and name HB1   )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HB2   )(resid   17 and name HA    ) 1.8 0.0 3.2
assign (resid   17 and name HB2   )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HB2   )(resid   18 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HB2   )(resid   28 and name HA    ) 1.8 0.0 3.2 
assign (resid   17 and name HN    )(resid   17 and name HA    ) 1.8 0.0 3.2
assign (resid   17 and name HN    )(resid   18 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HN    )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   18 and name HA    )(resid   19 and name HB1   ) 1.8 0.0 3.2               
assign (resid   18 and name HA    )(resid   19 and name HB2   ) 1.8 0.0 3.2               
assign (resid   18 and name HA    )(resid   19 and name HN    ) 1.8 0.0 1.7
assign (resid   18 and name HB1   )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid   18 and name HB1   )(resid   18 and name HD#   ) 1.8 0.0 3.2
assign (resid   18 and name HB1   )(resid   18 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HB1   )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HB1   )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HB2   )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid   18 and name HB2   )(resid   18 and name HD#   ) 1.8 0.0 3.2
assign (resid   18 and name HB2   )(resid   18 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HB2   )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HB2   )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HD#   )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HG1   )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid   18 and name HG1   )(resid   18 and name HD#   ) 1.8 0.0 3.2
assign (resid   18 and name HG1   )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HG2   )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid   18 and name HG2   )(resid   18 and name HD#   ) 1.8 0.0 3.2
assign (resid   18 and name HG2   )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   19 and name HA    )(resid   20 and name HN    ) 1.8 0.0 1.7
assign (resid   19 and name HB1   )(resid   19 and name HA    ) 1.8 0.0 3.2
assign (resid   19 and name HB1   )(resid   19 and name HB2   ) 1.8 0.0 1.7
assign (resid   19 and name HB1   )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   19 and name HB1   )(resid   20 and name HN    ) 1.8 0.0 3.2
assign (resid   19 and name HB2   )(resid   19 and name HA    ) 1.8 0.0 3.2
assign (resid   19 and name HB2   )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid   19 and name HB2   )(resid   20 and name HN    ) 1.8 0.0 3.2
assign (resid   19 and name HN    )(resid   19 and name HA    ) 1.8 0.0 3.2
assign (resid   19 and name HN    )(resid   20 and name HN    ) 1.8 0.0 3.2
assign (resid   19 and name HN    )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid   20 and name HA1   )(resid   20 and name HA2   ) 1.8 0.0 1.7
assign (resid   20 and name HA1   )(resid   20 and name HN    ) 1.8 0.0 1.7 
assign (resid   20 and name HA1   )(resid   21 and name HN    ) 1.8 0.0 1.7
assign (resid   20 and name HA1   )(resid   23 and name HN    ) 1.8 0.0 3.2 
assign (resid   20 and name HA1   )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   20 and name HA1   )(resid   26 and name HA    ) 1.8 0.0 3.2 
assign (resid   20 and name HA2   )(resid   20 and name HN    ) 1.8 0.0 1.7 
assign (resid   20 and name HA2   )(resid   21 and name HN    ) 1.8 0.0 1.7
assign (resid   20 and name HN    )(resid   21 and name HN    ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   22 and name HN    ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   25 and name HA    ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   26 and name HA    ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   21 and name HA    )(resid   21 and name HB#   ) 1.8 0.0 1.7
assign (resid   21 and name HA    )(resid   21 and name HN    ) 1.8 0.0 3.2
assign (resid   21 and name HA    )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid   21 and name HB#   )(resid   22 and name HN    ) 1.8 0.0 3.2
assign (resid   21 and name HN    )(resid   22 and name HN    ) 1.8 0.0 3.2
assign (resid   21 and name HN    )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid   22 and name HA    )(resid   22 and name HB1   ) 1.8 0.0 1.7
assign (resid   22 and name HA    )(resid   22 and name HB2   ) 1.8 0.0 1.7
assign (resid   22 and name HA    )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid   22 and name HB1   )(resid   22 and name HB2   ) 1.8 0.0 1.7
assign (resid   22 and name HB1   )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid   22 and name HB2   )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid   22 and name HN    )(resid   22 and name HA    ) 1.8 0.0 3.2
assign (resid   22 and name HN    )(resid   22 and name HB1   ) 1.8 0.0 3.2
assign (resid   22 and name HN    )(resid   22 and name HB2   ) 1.8 0.0 3.2
assign (resid   23 and name HA1   )(resid   23 and name HA2   ) 1.8 0.0 1.7
assign (resid   23 and name HN    )(resid   23 and name HA1   ) 1.8 0.0 1.7 
assign (resid   23 and name HN    )(resid   23 and name HA2   ) 1.8 0.0 1.7 
assign (resid   24 and name HA    )(resid   24 and name HN    ) 1.8 0.0 3.2
assign (resid   24 and name HA    )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   24 and name HB1   )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HB1   )(resid   24 and name HN    ) 1.8 0.0 3.2
assign (resid   24 and name HB1   )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   24 and name HB2   )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HB2   )(resid   24 and name HN    ) 1.8 0.0 3.2
assign (resid   24 and name HB2   )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   24 and name HD1   )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HD2   )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HE#   )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HG#   )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HN    )(resid   24 and name HG1   ) 1.8 0.0 3.2
assign (resid   24 and name HN    )(resid   24 and name HG2   ) 1.8 0.0 3.2
assign (resid   24 and name HN    )(resid   25 and name HN    ) 1.8 0.0 1.7
assign (resid   25 and name HA    )(resid   25 and name HB1   ) 1.8 0.0 3.2
assign (resid   25 and name HA    )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   25 and name HA    )(resid   26 and name HN    ) 1.8 0.0 1.7
assign (resid   25 and name HB1   )(resid   25 and name HB2   ) 1.8 0.0 1.7
assign (resid   25 and name HB1   )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   25 and name HB1   )(resid   26 and name HA    ) 1.8 0.0 3.2
assign (resid   25 and name HB1   )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid   25 and name HB2   )(resid   25 and name HA    ) 1.8 0.0 3.2
assign (resid   25 and name HB2   )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   25 and name HB2   )(resid   26 and name HA    ) 1.8 0.0 3.2
assign (resid   25 and name HB2   )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid   25 and name HN    )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid   25 and name HN    )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid   26 and name HA    )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid   26 and name HA    )(resid   27 and name HN    ) 1.8 0.0 1.7
assign (resid   26 and name HB#   )(resid   26 and name HA    ) 1.8 0.0 1.7
assign (resid   26 and name HB#   )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid   26 and name HN    )(resid   27 and name HA    ) 1.8 0.0 3.2
assign (resid   26 and name HN    )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   27 and name HA    )(resid   27 and name HB#   ) 1.8 0.0 1.7
assign (resid   27 and name HA    )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   27 and name HA    )(resid   28 and name HN    ) 1.8 0.0 1.7 
assign (resid   27 and name HB#   )(resid   27 and name HA    ) 1.8 0.0 1.7
assign (resid   27 and name HB#   )(resid   27 and name HN    ) 1.8 0.0 1.7
assign (resid   27 and name HB#   )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   27 and name HB#   )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   27 and name HN    )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   27 and name HN    )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   28 and name HA    )(resid   29 and name HN    ) 1.8 0.0 1.7 
assign (resid   28 and name HB1   )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   28 and name HB1   )(resid   28 and name HB2   ) 1.8 0.0 0.7
assign (resid   28 and name HB1   )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   28 and name HB1   )(resid   29 and name HN    ) 1.8 0.0 3.2 
assign (resid   28 and name HB2   )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   28 and name HB2   )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   28 and name HN    )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   29 and name HA    )(resid   29 and name HB    ) 1.8 0.0 3.2
assign (resid   29 and name HA    )(resid   30 and name HN    ) 1.8 0.0 1.7 
assign (resid   29 and name HB    )(resid   30 and name HN    ) 1.8 0.0 1.7 
assign (resid   29 and name HG2#  )(resid   29 and name HA    ) 1.8 0.0 1.7 
assign (resid   29 and name HG2#  )(resid   29 and name HB    ) 1.8 0.0 1.7 
assign (resid   29 and name HN    )(resid   29 and name HA    ) 1.8 0.0 3.2
assign (resid   29 and name HN    )(resid   29 and name HB    ) 1.8 0.0 3.2
assign (resid   29 and name HN    )(resid   29 and name HG2#  ) 1.8 0.0 3.2
assign (resid   30 and name HA    )(resid   30 and name HD#   ) 1.8 0.0 3.2
assign (resid   30 and name HA    )(resid   31 and name HN    ) 1.8 0.0 1.7 
assign (resid   30 and name HB1   )(resid   30 and name HA    ) 1.8 0.0 3.2
assign (resid   30 and name HB1   )(resid   30 and name HB2   ) 1.8 0.0 1.7
assign (resid   30 and name HB2   )(resid   30 and name HA    ) 1.8 0.0 3.2
assign (resid   30 and name HG1   )(resid   30 and name HA    ) 1.8 0.0 3.2
assign (resid   30 and name HG2   )(resid   30 and name HA    ) 1.8 0.0 3.2
assign (resid   30 and name HN    )(resid   30 and name HB1   ) 1.8 0.0 3.2 
assign (resid   30 and name HN    )(resid   30 and name HB2   ) 1.8 0.0 3.2
assign (resid   30 and name HN    )(resid   31 and name HN    ) 1.8 0.0 3.2
assign (resid   31 and name HA    )(resid   31 and name HN    ) 1.8 0.0 3.2
assign (resid   31 and name HB1   )(resid   31 and name HA    ) 1.8 0.0 3.2
assign (resid   31 and name HB1   )(resid   31 and name HG#   ) 1.8 0.0 1.7
assign (resid   31 and name HB1   )(resid   32 and name HN    ) 1.8 0.0 3.2 
assign (resid   31 and name HB2   )(resid   31 and name HA    ) 1.8 0.0 3.2
assign (resid   31 and name HB2   )(resid   31 and name HG#   ) 1.8 0.0 3.2
assign (resid   31 and name HB2   )(resid   32 and name HN    ) 1.8 0.0 3.2
assign (resid   31 and name HG#   )(resid   31 and name HA    ) 1.8 0.0 3.2
assign (resid   31 and name HN    )(resid   31 and name HB1   ) 1.8 0.0 3.2
assign (resid   31 and name HN    )(resid   31 and name HB2   ) 1.8 0.0 3.2
assign (resid   32 and name HB#   )(resid   32 and name HA    ) 1.8 0.0 1.7
assign (resid   32 and name HB#   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   32 and name HN    )(resid   32 and name HA    ) 1.8 0.0 1.7
assign (resid   32 and name HN    )(resid   32 and name HB#   ) 1.8 0.0 1.7
assign (resid   33 and name HB1   )(resid   35 and name HN    ) 1.8 0.0 3.2 
assign (resid   33 and name HA    )(resid   33 and name HN    ) 1.8 0.0 3.2
assign (resid   33 and name HA    )(resid   34 and name HB1   ) 1.8 0.0 3.2         
assign (resid   33 and name HA    )(resid   34 and name HD1   ) 1.8 0.0 3.2
assign (resid   33 and name HA    )(resid   34 and name HD2   ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   33 and name HB2   ) 1.8 0.0 1.7
assign (resid   33 and name HB1   )(resid   33 and name HN    ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   34 and name HD1   ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   34 and name HD2   ) 1.8 0.0 3.2
assign (resid   33 and name HB2   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   33 and name HB2   )(resid   33 and name HN    ) 1.8 0.0 3.2
assign (resid   33 and name HB2   )(resid   34 and name HD1   ) 1.8 0.0 3.2 
assign (resid   33 and name HB2   )(resid   34 and name HD2   ) 1.8 0.0 3.2
assign (resid   33 and name HN    )(resid   34 and (name HD1 or name HD2)) 1.8 0.0 3.2
assign (resid   34 and name HA    )(resid   35 and name HN    ) 1.8 0.0 1.7
assign (resid   34 and name HB1   )(resid   34 and name HA    ) 1.8 0.0 3.2
assign (resid   34 and name HB1   )(resid   34 and name HD1   ) 1.8 0.0 1.7 
assign (resid   34 and name HB1   )(resid   34 and name HD2   ) 1.8 0.0 3.2 
assign (resid   34 and name HB1   )(resid   35 and name HN    ) 1.8 0.0 3.2
assign (resid   34 and name HB2   )(resid   34 and name HA    ) 1.8 0.0 3.2
assign (resid   34 and name HB2   )(resid   34 and name HD1   ) 1.8 0.0 3.2
assign (resid   34 and name HB2   )(resid   34 and name HD2   ) 1.8 0.0 3.2
assign (resid   34 and name HB2   )(resid   35 and name HN    ) 1.8 0.0 3.2
assign (resid   34 and name HD1   )(resid   34 and name HD2   ) 1.8 0.0 1.7
assign (resid   34 and name HG#   )(resid   35 and name HN    ) 1.8 0.0 3.2
assign (resid   35 and name HG#   )(resid   35 and name HA    ) 1.8 0.0 3.2
assign (resid   35 and name HN    )(resid   35 and name HA    ) 1.8 0.0 3.2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1   6.957   3.911   5.107
    2   2H    GLU   1          2HT       GLU   1   7.330   5.234   6.105
    3   3H    GLU   1          3HT       GLU   1   5.813   5.141   5.344
    4    HA   GLU   1           HA       GLU   1   6.752   3.154   7.347
    5   1HB   GLU   1          2HB       GLU   1   6.066   5.899   7.632
    6   2HB   GLU   1          1HB       GLU   1   4.701   4.965   8.244
    7   1HG   GLU   1          2HG       GLU   1   6.688   3.558   9.374
    8   2HG   GLU   1          1HG       GLU   1   7.497   5.121   9.261
    9    H    VAL   2           H        VAL   2   5.707   1.531   5.961
   10    HA   VAL   2           HA       VAL   2   2.817   1.879   5.399
   11    HB   VAL   2           HB       VAL   2   5.026  -0.022   4.656
   12   1HG1  VAL   2          1HG1      VAL   2   3.086  -1.443   5.299
   13   2HG1  VAL   2          2HG1      VAL   2   3.408  -1.508   3.566
   14   3HG1  VAL   2          3HG1      VAL   2   2.072  -0.533   4.179
   15   1HG2  VAL   2          1HG2      VAL   2   4.888   1.643   3.057
   16   2HG2  VAL   2          2HG2      VAL   2   3.163   1.899   3.323
   17   3HG2  VAL   2          3HG2      VAL   2   3.715   0.507   2.391
   18    H    THR   3           H        THR   3   1.479   1.421   7.107
   19    HA   THR   3           HA       THR   3   2.254  -0.720   9.035
   20    HB   THR   3           HB       THR   3   1.669   1.522   9.882
   21    HG1  THR   3           1HG      THR   3   0.972  -0.485  10.955
   22   1HG2  THR   3          1HG2      THR   3  -0.796   1.029   8.225
   23   2HG2  THR   3          2HG2      THR   3   0.244   2.452   8.264
   24   3HG2  THR   3          3HG2      THR   3  -0.849   2.123   9.608
   25    H    CYS   4           H        CYS   4   1.124  -1.108   6.231
   26    HA   CYS   4           HA       CYS   4  -1.597  -2.131   6.667
   27   1HB   CYS   4          2HB       CYS   4  -1.297  -1.210   4.558
   28   2HB   CYS   4          1HB       CYS   4   0.364  -1.783   4.422
   29    H    GLU   5           H        GLU   5  -2.068  -4.423   5.977
   30    HA   GLU   5           HA       GLU   5  -0.156  -6.275   7.295
   31   1HB   GLU   5          2HB       GLU   5  -2.781  -6.000   7.564
   32   2HB   GLU   5          1HB       GLU   5  -2.820  -7.044   6.142
   33   1HG   GLU   5          2HG       GLU   5  -2.908  -8.448   8.118
   34   2HG   GLU   5          1HG       GLU   5  -1.329  -8.656   7.360
   35    HA   PRO   6           HA       PRO   6   1.313  -7.561   3.321
   36   1HB   PRO   6          2HB       PRO   6   2.667  -9.788   4.161
   37   2HB   PRO   6          1HB       PRO   6   3.281  -8.138   4.384
   38   1HG   PRO   6          2HG       PRO   6   1.915  -9.930   6.331
   39   2HG   PRO   6          1HG       PRO   6   3.274  -8.819   6.578
   40   1HD   PRO   6          2HD       PRO   6   0.718  -8.239   7.313
   41   2HD   PRO   6          1HD       PRO   6   1.907  -6.999   6.852
   42    H    GLY   7           H        GLY   7  -0.053  -8.541   1.890
   43   1HA   GLY   7          2HA       GLY   7  -0.687 -10.958   1.216
   44   2HA   GLY   7          1HA       GLY   7  -1.518 -10.988   2.775
   45    H    THR   8           H        THR   8  -1.349  -8.238   0.531
   46    HA   THR   8           HA       THR   8  -3.959  -8.638  -0.632
   47    HB   THR   8           HB       THR   8  -4.855  -8.301   1.532
   48    HG1  THR   8           1HG      THR   8  -5.873  -6.921   0.137
   49   1HG2  THR   8          1HG2      THR   8  -3.357  -7.577   3.067
   50   2HG2  THR   8          2HG2      THR   8  -3.875  -5.956   2.604
   51   3HG2  THR   8          3HG2      THR   8  -2.442  -6.668   1.863
   52    H    THR   9           H        THR   9  -4.818  -6.396  -1.435
   53    HA   THR   9           HA       THR   9  -2.571  -4.524  -2.052
   54    HB   THR   9           HB       THR   9  -2.837  -6.167  -3.888
   55    HG1  THR   9           1HG      THR   9  -4.067  -3.876  -4.888
   56   1HG2  THR   9          1HG2      THR   9  -4.889  -6.978  -4.315
   57   2HG2  THR   9          2HG2      THR   9  -5.331  -5.406  -4.982
   58   3HG2  THR   9          3HG2      THR   9  -5.622  -5.753  -3.277
   59    H    PHE  10           H        PHE  10  -3.309  -2.338  -2.267
   60    HA   PHE  10           HA       PHE  10  -6.224  -1.827  -2.240
   61   1HB   PHE  10          2HB       PHE  10  -5.881  -0.476  -0.088
   62   2HB   PHE  10          1HB       PHE  10  -5.829  -2.231   0.081
   63    HD1  PHE  10           1HD      PHE  10  -3.499  -3.372  -0.026
   64    HD2  PHE  10           2HD      PHE  10  -4.066   0.838   0.608
   65    HE1  PHE  10           1HE      PHE  10  -1.207  -3.201   0.908
   66    HE2  PHE  10           2HE      PHE  10  -1.776   1.009   1.542
   67    HZ   PHE  10           HZ       PHE  10  -0.343  -1.009   1.692
   68    H    LYS  11           H        LYS  11  -6.729   0.333  -2.810
   69    HA   LYS  11           HA       LYS  11  -4.633   1.771  -4.263
   70   1HB   LYS  11          2HB       LYS  11  -7.056   1.438  -4.936
   71   2HB   LYS  11          1HB       LYS  11  -7.494   2.562  -3.650
   72   1HG   LYS  11          2HG       LYS  11  -6.698   4.382  -4.781
   73   2HG   LYS  11          1HG       LYS  11  -5.362   3.480  -5.497
   74   1HD   LYS  11          2HD       LYS  11  -7.002   2.346  -7.010
   75   2HD   LYS  11          1HD       LYS  11  -8.267   3.386  -6.357
   76   1HE   LYS  11          2HE       LYS  11  -5.779   4.294  -7.848
   77   2HE   LYS  11          1HE       LYS  11  -7.459   4.412  -8.409
   78   1HZ   LYS  11          1HZ       LYS  11  -7.941   5.718  -6.380
   79   2HZ   LYS  11          2HZ       LYS  11  -6.847   6.493  -7.423
   80   3HZ   LYS  11          3HZ       LYS  11  -6.284   5.725  -6.016
   81    H    ASP  12           H        ASP  12  -3.231   2.372  -2.423
   82    HA   ASP  12           HA       ASP  12  -4.393   4.402  -0.563
   83   1HB   ASP  12          2HB       ASP  12  -2.960   2.216  -0.017
   84   2HB   ASP  12          1HB       ASP  12  -1.612   3.306  -0.366
   85    H    LYS  13           H        LYS  13  -2.674   6.200  -0.040
   86    HA   LYS  13           HA       LYS  13  -1.622   8.136  -0.925
   87   1HB   LYS  13          2HB       LYS  13  -0.168   6.084  -2.611
   88   2HB   LYS  13          1HB       LYS  13   0.482   7.559  -1.893
   89   1HG   LYS  13          2HG       LYS  13  -0.629   5.834   0.162
   90   2HG   LYS  13          1HG       LYS  13   0.567   4.968  -0.797
   91   1HD   LYS  13          2HD       LYS  13   2.024   7.100  -0.504
   92   2HD   LYS  13          1HD       LYS  13   0.920   7.485   0.818
   93   1HE   LYS  13          2HE       LYS  13   1.427   4.929   1.473
   94   2HE   LYS  13          1HE       LYS  13   2.942   5.297   0.622
   95   1HZ   LYS  13          1HZ       LYS  13   2.831   7.482   1.949
   96   2HZ   LYS  13          2HZ       LYS  13   3.357   6.078   2.749
   97   3HZ   LYS  13          3HZ       LYS  13   1.770   6.642   2.972
   98    H    CYS  14           H        CYS  14  -0.440   7.761  -3.805
   99    HA   CYS  14           HA       CYS  14  -2.998   8.400  -5.227
  100   1HB   CYS  14          2HB       CYS  14  -0.136   9.336  -5.446
  101   2HB   CYS  14          1HB       CYS  14  -1.270   9.583  -6.774
  102    H    ASN  15           H        ASN  15  -1.600   5.725  -4.760
  103    HA   ASN  15           HA       ASN  15  -1.932   4.684  -7.476
  104   1HB   ASN  15          2HB       ASN  15   0.445   3.858  -7.571
  105   2HB   ASN  15          1HB       ASN  15   0.323   5.620  -7.626
  106   1HD2  ASN  15          1HD2      ASN  15   1.339   6.800  -5.952
  107   2HD2  ASN  15          2HD2      ASN  15   2.094   6.075  -4.606
  108    H    THR  16           H        THR  16  -1.993   2.333  -7.439
  109    HA   THR  16           HA       THR  16  -3.063   1.087  -5.162
  110    HB   THR  16           HB       THR  16  -1.498  -0.779  -6.699
  111    HG1  THR  16           1HG      THR  16  -1.698  -0.045  -8.671
  112   1HG2  THR  16          1HG2      THR  16  -4.002  -1.021  -7.659
  113   2HG2  THR  16          2HG2      THR  16  -4.340  -0.081  -6.205
  114   3HG2  THR  16          3HG2      THR  16  -3.521  -1.638  -6.078
  115    H    CYS  17           H        CYS  17  -1.843  -0.954  -4.148
  116    HA   CYS  17           HA       CYS  17   1.016  -0.694  -3.703
  117   1HB   CYS  17          2HB       CYS  17  -0.974   0.620  -1.931
  118   2HB   CYS  17          1HB       CYS  17   0.309  -0.271  -1.109
  119    H    ARG  18           H        ARG  18   0.819  -2.980  -4.226
  120    HA   ARG  18           HA       ARG  18  -0.856  -4.804  -2.749
  121   1HB   ARG  18          2HB       ARG  18   0.015  -5.358  -4.931
  122   2HB   ARG  18          1HB       ARG  18   1.673  -5.085  -4.398
  123   1HG   ARG  18          2HG       ARG  18   1.752  -7.304  -3.977
  124   2HG   ARG  18          1HG       ARG  18   0.723  -6.964  -2.586
  125   1HD   ARG  18          2HD       ARG  18  -0.472  -8.640  -3.769
  126   2HD   ARG  18          1HD       ARG  18  -1.247  -7.134  -4.299
  127    HE   ARG  18           HE       ARG  18   0.851  -8.581  -5.869
  128   1HH1  ARG  18          1HH2      ARG  18  -2.024  -8.631  -6.741
  129   2HH1  ARG  18          2HH2      ARG  18  -2.067  -7.355  -7.912
  130   1HH2  ARG  18          1HH1      ARG  18   0.924  -5.942  -6.870
  131   2HH2  ARG  18          2HH1      ARG  18  -0.396  -5.834  -7.986
  132    H    CYS  19           H        CYS  19  -0.562  -4.579  -0.500
  133    HA   CYS  19           HA       CYS  19   1.682  -4.117   1.027
  134   1HB   CYS  19          2HB       CYS  19  -0.887  -5.005   1.414
  135   2HB   CYS  19          1HB       CYS  19   0.053  -6.404   1.940
  136    H    GLY  20           H        GLY  20   3.695  -5.020   0.895
  137   1HA   GLY  20          2HA       GLY  20   4.399  -7.362  -0.486
  138   2HA   GLY  20          1HA       GLY  20   5.372  -6.661   0.812
  139    H    SER  21           H        SER  21   5.689  -9.176   1.008
  140    HA   SER  21           HA       SER  21   3.494 -10.409   2.611
  141   1HB   SER  21          2HB       SER  21   5.171 -12.412   2.251
  142   2HB   SER  21          1HB       SER  21   4.176 -11.858   0.907
  143    HG   SER  21           HG       SER  21   6.524 -12.104   0.534
  144    H    ASP  22           H        ASP  22   6.151  -8.536   3.193
  145    HA   ASP  22           HA       ASP  22   6.912 -10.026   5.680
  146   1HB   ASP  22          2HB       ASP  22   8.378  -7.758   4.309
  147   2HB   ASP  22          1HB       ASP  22   9.029  -8.923   5.469
  148    H    GLY  23           H        GLY  23   5.497  -7.097   4.429
  149   1HA   GLY  23          2HA       GLY  23   4.106  -5.678   5.825
  150   2HA   GLY  23          1HA       GLY  23   5.065  -6.173   7.225
  151    H    LYS  24           H        LYS  24   4.518  -3.440   6.486
  152    HA   LYS  24           HA       LYS  24   5.669  -1.392   6.222
  153   1HB   LYS  24          2HB       LYS  24   7.059  -3.121   7.885
  154   2HB   LYS  24          1HB       LYS  24   8.294  -2.607   6.735
  155   1HG   LYS  24          2HG       LYS  24   8.333  -0.489   7.546
  156   2HG   LYS  24          1HG       LYS  24   6.575  -0.412   7.667
  157   1HD   LYS  24          2HD       LYS  24   7.104  -0.386   9.915
  158   2HD   LYS  24          1HD       LYS  24   7.004  -2.130   9.665
  159   1HE   LYS  24          2HE       LYS  24   9.334  -2.398   9.667
  160   2HE   LYS  24          1HE       LYS  24   9.625  -0.700   9.237
  161   1HZ   LYS  24          1HZ       LYS  24   8.633  -0.063  11.379
  162   2HZ   LYS  24          2HZ       LYS  24  10.032  -1.007  11.582
  163   3HZ   LYS  24          3HZ       LYS  24   8.496  -1.701  11.800
  164    H    SER  25           H        SER  25   5.382  -3.113   3.832
  165    HA   SER  25           HA       SER  25   7.270  -1.750   2.089
  166   1HB   SER  25          2HB       SER  25   7.659  -4.638   2.887
  167   2HB   SER  25          1HB       SER  25   8.286  -4.018   1.359
  168    HG   SER  25           HG       SER  25   9.345  -2.376   2.637
  169    H    ALA  26           H        ALA  26   5.893  -1.360   0.398
  170    HA   ALA  26           HA       ALA  26   4.178  -3.623  -0.569
  171   1HB   ALA  26          1HB       ALA  26   3.274  -0.833  -0.991
  172   2HB   ALA  26          2HB       ALA  26   3.325  -1.355   0.693
  173   3HB   ALA  26          3HB       ALA  26   2.351  -2.245  -0.476
  174    H    ALA  27           H        ALA  27   3.653  -3.438  -2.919
  175    HA   ALA  27           HA       ALA  27   5.994  -2.542  -4.460
  176   1HB   ALA  27          1HB       ALA  27   3.673  -4.320  -4.720
  177   2HB   ALA  27          2HB       ALA  27   5.283  -4.471  -5.428
  178   3HB   ALA  27          3HB       ALA  27   4.064  -3.466  -6.212
  179    H    CYS  28           H        CYS  28   2.479  -1.978  -4.700
  180    HA   CYS  28           HA       CYS  28   1.282  -0.082  -5.425
  181   1HB   CYS  28          2HB       CYS  28   3.933   1.342  -5.069
  182   2HB   CYS  28          1HB       CYS  28   2.315   2.037  -4.940
  183    H    THR  29           H        THR  29   0.772   0.622  -7.482
  184    HA   THR  29           HA       THR  29   2.274  -0.250  -9.746
  185    HB   THR  29           HB       THR  29   0.667   1.695 -10.726
  186    HG1  THR  29           1HG      THR  29  -0.512   2.491  -9.209
  187   1HG2  THR  29          1HG2      THR  29  -0.092  -1.024  -9.637
  188   2HG2  THR  29          2HG2      THR  29   0.364  -0.616 -11.292
  189   3HG2  THR  29          3HG2      THR  29  -1.173  -0.053 -10.636
  190    H    ARG  30           H        ARG  30   1.986   2.987  -8.266
  191    HA   ARG  30           HA       ARG  30   4.656   3.691  -9.321
  192   1HB   ARG  30          2HB       ARG  30   3.786   5.606 -10.580
  193   2HB   ARG  30          1HB       ARG  30   3.012   4.123 -11.148
  194   1HG   ARG  30          2HG       ARG  30   0.978   4.636 -10.135
  195   2HG   ARG  30          1HG       ARG  30   1.724   5.692  -8.935
  196   1HD   ARG  30          2HD       ARG  30   1.464   7.505 -10.271
  197   2HD   ARG  30          1HD       ARG  30   2.194   6.662 -11.650
  198    HE   ARG  30           HE       ARG  30  -0.222   5.439 -11.534
  199   1HH1  ARG  30          1HH2      ARG  30  -0.488   8.320 -10.062
  200   2HH1  ARG  30          2HH2      ARG  30  -1.439   9.110 -11.274
  201   1HH2  ARG  30          1HH1      ARG  30  -0.944   6.636 -13.653
  202   2HH2  ARG  30          2HH1      ARG  30  -1.697   8.158 -13.308
  203    H    MET  31           H        MET  31   4.316   6.511  -8.940
  204    HA   MET  31           HA       MET  31   3.444   6.809  -6.109
  205   1HB   MET  31          2HB       MET  31   6.195   6.729  -7.193
  206   2HB   MET  31          1HB       MET  31   5.872   8.067  -6.092
  207   1HG   MET  31          2HG       MET  31   4.684   5.706  -4.995
  208   2HG   MET  31          1HG       MET  31   6.350   5.332  -5.435
  209   1HE   MET  31          1HE       MET  31   7.703   8.421  -5.057
  210   2HE   MET  31          2HE       MET  31   8.250   6.747  -5.033
  211   3HE   MET  31          3HE       MET  31   8.521   7.776  -3.628
  212    H    ALA  32           H        ALA  32   1.815   8.243  -7.045
  213    HA   ALA  32           HA       ALA  32   2.915  10.779  -8.208
  214   1HB   ALA  32          1HB       ALA  32   1.117  10.743  -9.625
  215   2HB   ALA  32          2HB       ALA  32   0.025  10.140  -8.377
  216   3HB   ALA  32          3HB       ALA  32   1.095   9.025  -9.227
  217    H    CYS  33           H        CYS  33   2.375   9.855  -5.257
  218    HA   CYS  33           HA       CYS  33   0.510  12.081  -4.528
  219   1HB   CYS  33          2HB       CYS  33   0.698   9.353  -3.796
  220   2HB   CYS  33          1HB       CYS  33   1.178  10.278  -2.375
  221    HA   PRO  34           HA       PRO  34   4.571  13.657  -3.216
  222   1HB   PRO  34          2HB       PRO  34   3.961  16.270  -3.732
  223   2HB   PRO  34          1HB       PRO  34   4.534  15.147  -4.981
  224   1HG   PRO  34          2HG       PRO  34   1.776  16.092  -4.420
  225   2HG   PRO  34          1HG       PRO  34   2.565  15.761  -5.969
  226   1HD   PRO  34          2HD       PRO  34   0.797  14.056  -4.741
  227   2HD   PRO  34          1HD       PRO  34   2.042  13.545  -5.906
  228    H    GLN  35           H        GLN  35   2.754  12.849  -1.288
  229    HA   GLN  35           HA       GLN  35   2.107  15.280   0.325
  230   1HB   GLN  35          2HB       GLN  35   0.938  12.668  -0.173
  231   2HB   GLN  35          1HB       GLN  35   1.140  12.941   1.557
  232   1HG   GLN  35          2HG       GLN  35  -0.837  14.059   1.371
  233   2HG   GLN  35          1HG       GLN  35   0.176  15.370   0.764
  234   1HE2  GLN  35          1HE2      GLN  35  -0.984  12.294  -0.739
  235   2HE2  GLN  35          2HE2      GLN  35  -1.637  13.045  -2.115
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1   9.380   3.120   4.085
    2   2H    GLU   1          2HT       GLU   1   8.083   2.673   3.082
    3   3H    GLU   1          3HT       GLU   1   8.777   1.535   4.135
    4    HA   GLU   1           HA       GLU   1   7.898   2.589   6.044
    5   1HB   GLU   1          2HB       GLU   1   8.495   4.838   5.414
    6   2HB   GLU   1          1HB       GLU   1   7.389   4.804   4.040
    7   1HG   GLU   1          2HG       GLU   1   5.477   4.572   5.610
    8   2HG   GLU   1          1HG       GLU   1   6.599   4.687   6.966
    9    H    VAL   2           H        VAL   2   6.536   0.699   5.756
   10    HA   VAL   2           HA       VAL   2   3.898   1.320   4.472
   11    HB   VAL   2           HB       VAL   2   5.768  -1.018   4.274
   12   1HG1  VAL   2          1HG1      VAL   2   3.911  -2.229   5.091
   13   2HG1  VAL   2          2HG1      VAL   2   3.715  -2.301   3.339
   14   3HG1  VAL   2          3HG1      VAL   2   2.755  -1.166   4.288
   15   1HG2  VAL   2          1HG2      VAL   2   4.198  -0.750   1.982
   16   2HG2  VAL   2          2HG2      VAL   2   5.825  -0.106   2.205
   17   3HG2  VAL   2          3HG2      VAL   2   4.421   0.908   2.541
   18    H    THR   3           H        THR   3   2.071   0.566   5.631
   19    HA   THR   3           HA       THR   3   2.609  -0.714   8.288
   20    HB   THR   3           HB       THR   3   2.276   1.612   8.716
   21    HG1  THR   3           1HG      THR   3  -0.166   1.478   9.323
   22   1HG2  THR   3          1HG2      THR   3   0.257   2.794   7.723
   23   2HG2  THR   3          2HG2      THR   3   0.066   1.398   6.661
   24   3HG2  THR   3          3HG2      THR   3   1.528   2.379   6.573
   25    H    CYS   4           H        CYS   4   1.090  -1.002   5.357
   26    HA   CYS   4           HA       CYS   4  -1.543  -1.927   6.139
   27   1HB   CYS   4          2HB       CYS   4  -1.514  -2.781   3.770
   28   2HB   CYS   4          1HB       CYS   4  -1.057  -1.081   3.910
   29    H    GLU   5           H        GLU   5  -2.177  -4.284   5.526
   30    HA   GLU   5           HA       GLU   5  -0.404  -6.110   7.021
   31   1HB   GLU   5          2HB       GLU   5  -3.218  -6.000   6.037
   32   2HB   GLU   5          1HB       GLU   5  -2.517  -7.603   6.260
   33   1HG   GLU   5          2HG       GLU   5  -2.251  -7.323   8.550
   34   2HG   GLU   5          1HG       GLU   5  -2.160  -5.566   8.429
   35    HA   PRO   6           HA       PRO   6   1.417  -7.791   3.383
   36   1HB   PRO   6          2HB       PRO   6   2.242 -10.190   4.414
   37   2HB   PRO   6          1HB       PRO   6   3.050  -8.650   4.772
   38   1HG   PRO   6          2HG       PRO   6   1.113 -10.199   6.418
   39   2HG   PRO   6          1HG       PRO   6   2.549  -9.289   6.918
   40   1HD   PRO   6          2HD       PRO   6   0.000  -8.352   7.182
   41   2HD   PRO   6          1HD       PRO   6   1.421  -7.299   6.994
   42    H    GLY   7           H        GLY   7  -0.102  -8.349   1.829
   43   1HA   GLY   7          2HA       GLY   7  -1.020 -10.293   0.616
   44   2HA   GLY   7          1HA       GLY   7  -1.467 -10.985   2.180
   45    H    THR   8           H        THR   8  -2.055  -7.908   0.413
   46    HA   THR   8           HA       THR   8  -4.949  -8.325   0.519
   47    HB   THR   8           HB       THR   8  -3.663  -6.176   2.233
   48    HG1  THR   8           1HG      THR   8  -4.656  -7.521   3.910
   49   1HG2  THR   8          1HG2      THR   8  -5.700  -5.227   2.033
   50   2HG2  THR   8          2HG2      THR   8  -6.306  -6.570   3.001
   51   3HG2  THR   8          3HG2      THR   8  -6.366  -6.655   1.240
   52    H    THR   9           H        THR   9  -2.235  -6.105  -0.024
   53    HA   THR   9           HA       THR   9  -1.954  -4.334  -1.545
   54    HB   THR   9           HB       THR   9  -2.471  -6.531  -2.888
   55    HG1  THR   9           1HG      THR   9  -2.071  -5.384  -4.705
   56   1HG2  THR   9          1HG2      THR   9  -4.763  -6.748  -3.049
   57   2HG2  THR   9          2HG2      THR   9  -4.437  -5.846  -4.524
   58   3HG2  THR   9          3HG2      THR   9  -5.041  -5.009  -3.101
   59    H    PHE  10           H        PHE  10  -3.157  -2.498  -2.684
   60    HA   PHE  10           HA       PHE  10  -5.964  -2.053  -2.324
   61   1HB   PHE  10          2HB       PHE  10  -5.700  -0.492  -0.313
   62   2HB   PHE  10          1HB       PHE  10  -5.521  -2.211   0.034
   63    HD1  PHE  10           1HD      PHE  10  -3.564  -3.003   1.073
   64    HD2  PHE  10           2HD      PHE  10  -3.527   0.820  -0.887
   65    HE1  PHE  10           1HE      PHE  10  -1.268  -2.591   1.916
   66    HE2  PHE  10           2HE      PHE  10  -1.232   1.232  -0.041
   67    HZ   PHE  10           HZ       PHE  10  -0.100  -0.474   1.359
   68    H    LYS  11           H        LYS  11  -6.507   0.327  -2.510
   69    HA   LYS  11           HA       LYS  11  -4.474   1.729  -4.190
   70   1HB   LYS  11          2HB       LYS  11  -6.725   1.171  -5.118
   71   2HB   LYS  11          1HB       LYS  11  -7.462   2.151  -3.850
   72   1HG   LYS  11          2HG       LYS  11  -5.899   4.043  -4.721
   73   2HG   LYS  11          1HG       LYS  11  -5.763   3.046  -6.170
   74   1HD   LYS  11          2HD       LYS  11  -7.831   3.625  -6.866
   75   2HD   LYS  11          1HD       LYS  11  -8.528   3.279  -5.283
   76   1HE   LYS  11          2HE       LYS  11  -8.502   5.475  -4.677
   77   2HE   LYS  11          1HE       LYS  11  -6.869   5.718  -5.331
   78   1HZ   LYS  11          1HZ       LYS  11  -9.460   5.859  -6.709
   79   2HZ   LYS  11          2HZ       LYS  11  -8.100   5.340  -7.585
   80   3HZ   LYS  11          3HZ       LYS  11  -8.109   6.874  -6.856
   81    H    ASP  12           H        ASP  12  -3.267   2.625  -2.367
   82    HA   ASP  12           HA       ASP  12  -4.796   4.603  -0.714
   83   1HB   ASP  12          2HB       ASP  12  -3.067   2.489  -0.083
   84   2HB   ASP  12          1HB       ASP  12  -2.086   3.945   0.126
   85    H    LYS  13           H        LYS  13  -3.106   6.398   0.050
   86    HA   LYS  13           HA       LYS  13  -1.967   8.341  -0.669
   87   1HB   LYS  13          2HB       LYS  13  -0.470   6.195  -2.213
   88   2HB   LYS  13          1HB       LYS  13   0.179   7.750  -1.675
   89   1HG   LYS  13          2HG       LYS  13  -1.043   6.131   0.467
   90   2HG   LYS  13          1HG       LYS  13   0.385   5.403  -0.267
   91   1HD   LYS  13          2HD       LYS  13   1.481   7.728   0.018
   92   2HD   LYS  13          1HD       LYS  13   0.147   8.075   1.116
   93   1HE   LYS  13          2HE       LYS  13   0.970   6.695   2.747
   94   2HE   LYS  13          1HE       LYS  13   1.517   5.481   1.574
   95   1HZ   LYS  13          1HZ       LYS  13   3.446   6.536   2.457
   96   2HZ   LYS  13          2HZ       LYS  13   2.800   8.087   2.195
   97   3HZ   LYS  13          3HZ       LYS  13   3.242   7.113   0.875
   98    H    CYS  14           H        CYS  14  -0.956   7.065  -3.712
   99    HA   CYS  14           HA       CYS  14  -3.246   8.365  -5.118
  100   1HB   CYS  14          2HB       CYS  14  -0.277   8.821  -5.573
  101   2HB   CYS  14          1HB       CYS  14  -1.581   9.561  -6.506
  102    H    ASN  15           H        ASN  15  -2.004   5.518  -4.675
  103    HA   ASN  15           HA       ASN  15  -2.622   4.504  -7.319
  104   1HB   ASN  15          2HB       ASN  15  -0.201   3.701  -7.687
  105   2HB   ASN  15          1HB       ASN  15  -0.508   5.421  -7.945
  106   1HD2  ASN  15          1HD2      ASN  15   1.599   6.174  -7.331
  107   2HD2  ASN  15          2HD2      ASN  15   2.203   6.020  -5.744
  108    H    THR  16           H        THR  16  -2.451   2.139  -7.375
  109    HA   THR  16           HA       THR  16  -3.181   0.781  -5.024
  110    HB   THR  16           HB       THR  16  -1.580  -0.659  -7.080
  111    HG1  THR  16           1HG      THR  16  -2.707   0.040  -8.708
  112   1HG2  THR  16          1HG2      THR  16  -4.005  -1.023  -5.432
  113   2HG2  THR  16          2HG2      THR  16  -2.805  -2.206  -5.950
  114   3HG2  THR  16          3HG2      THR  16  -4.088  -1.711  -7.053
  115    H    CYS  17           H        CYS  17  -1.635  -1.279  -4.393
  116    HA   CYS  17           HA       CYS  17   1.176  -0.964  -4.255
  117   1HB   CYS  17          2HB       CYS  17  -0.167   0.999  -2.810
  118   2HB   CYS  17          1HB       CYS  17   0.283  -0.188  -1.578
  119    H    ARG  18           H        ARG  18   1.084  -3.231  -4.377
  120    HA   ARG  18           HA       ARG  18  -0.476  -4.921  -2.674
  121   1HB   ARG  18          2HB       ARG  18   1.117  -5.148  -4.888
  122   2HB   ARG  18          1HB       ARG  18   2.136  -5.890  -3.656
  123   1HG   ARG  18          2HG       ARG  18  -0.693  -6.663  -4.408
  124   2HG   ARG  18          1HG       ARG  18   0.764  -7.638  -4.582
  125   1HD   ARG  18          2HD       ARG  18   0.741  -6.951  -1.871
  126   2HD   ARG  18          1HD       ARG  18  -0.950  -7.330  -2.248
  127    HE   ARG  18           HE       ARG  18   1.233  -9.172  -3.124
  128   1HH1  ARG  18          1HH2      ARG  18  -2.023  -9.064  -3.037
  129   2HH1  ARG  18          2HH2      ARG  18  -2.268 -10.450  -2.029
  130   1HH2  ARG  18          1HH1      ARG  18   1.073 -10.720  -1.139
  131   2HH2  ARG  18          2HH1      ARG  18  -0.513 -11.389  -0.952
  132    H    CYS  19           H        CYS  19  -0.245  -4.910  -0.473
  133    HA   CYS  19           HA       CYS  19   2.019  -3.992   0.989
  134   1HB   CYS  19          2HB       CYS  19  -0.483  -4.507   1.606
  135   2HB   CYS  19          1HB       CYS  19   0.133  -6.120   1.982
  136    H    GLY  20           H        GLY  20   4.029  -4.936   0.750
  137   1HA   GLY  20          2HA       GLY  20   4.708  -7.447  -0.189
  138   2HA   GLY  20          1HA       GLY  20   5.668  -6.615   1.039
  139    H    SER  21           H        SER  21   5.497  -9.390   1.070
  140    HA   SER  21           HA       SER  21   3.411 -10.240   2.957
  141   1HB   SER  21          2HB       SER  21   4.935 -11.423   1.005
  142   2HB   SER  21          1HB       SER  21   5.775 -11.942   2.463
  143    HG   SER  21           HG       SER  21   2.992 -12.057   2.471
  144    H    ASP  22           H        ASP  22   6.083  -8.394   3.391
  145    HA   ASP  22           HA       ASP  22   7.040  -9.740   5.866
  146   1HB   ASP  22          2HB       ASP  22   8.308  -8.454   3.833
  147   2HB   ASP  22          1HB       ASP  22   8.116  -7.118   4.975
  148    H    GLY  23           H        GLY  23   4.828  -7.312   4.883
  149   1HA   GLY  23          2HA       GLY  23   3.366  -6.051   6.257
  150   2HA   GLY  23          1HA       GLY  23   4.248  -6.635   7.674
  151    H    LYS  24           H        LYS  24   5.625  -4.992   4.842
  152    HA   LYS  24           HA       LYS  24   5.775  -2.351   5.837
  153   1HB   LYS  24          2HB       LYS  24   7.386  -4.315   7.243
  154   2HB   LYS  24          1HB       LYS  24   8.410  -3.065   6.537
  155   1HG   LYS  24          2HG       LYS  24   5.932  -2.132   7.889
  156   2HG   LYS  24          1HG       LYS  24   7.203  -2.770   8.932
  157   1HD   LYS  24          2HD       LYS  24   8.074  -0.901   6.792
  158   2HD   LYS  24          1HD       LYS  24   7.143  -0.196   8.115
  159   1HE   LYS  24          2HE       LYS  24   9.341  -2.084   8.856
  160   2HE   LYS  24          1HE       LYS  24   9.800  -0.462   8.299
  161   1HZ   LYS  24          1HZ       LYS  24   9.381  -0.085  10.519
  162   2HZ   LYS  24          2HZ       LYS  24   8.128  -1.229  10.598
  163   3HZ   LYS  24          3HZ       LYS  24   7.868   0.269   9.840
  164    H    SER  25           H        SER  25   5.697  -3.697   3.294
  165    HA   SER  25           HA       SER  25   7.742  -2.229   1.853
  166   1HB   SER  25          2HB       SER  25   8.028  -5.186   2.392
  167   2HB   SER  25          1HB       SER  25   8.755  -4.453   0.963
  168    HG   SER  25           HG       SER  25  10.195  -4.473   2.735
  169    H    ALA  26           H        ALA  26   6.054  -1.565   0.445
  170    HA   ALA  26           HA       ALA  26   4.490  -3.731  -0.890
  171   1HB   ALA  26          1HB       ALA  26   2.922  -1.933  -1.405
  172   2HB   ALA  26          2HB       ALA  26   4.075  -0.724  -0.839
  173   3HB   ALA  26          3HB       ALA  26   3.341  -1.848   0.305
  174    H    ALA  27           H        ALA  27   3.830  -1.920  -3.126
  175    HA   ALA  27           HA       ALA  27   6.443  -1.589  -4.530
  176   1HB   ALA  27          1HB       ALA  27   4.272  -2.986  -5.993
  177   2HB   ALA  27          2HB       ALA  27   5.037  -3.906  -4.698
  178   3HB   ALA  27          3HB       ALA  27   6.011  -3.275  -6.026
  179    H    CYS  28           H        CYS  28   2.928  -1.307  -4.626
  180    HA   CYS  28           HA       CYS  28   1.537   0.349  -5.508
  181   1HB   CYS  28          2HB       CYS  28   4.167   1.633  -5.026
  182   2HB   CYS  28          1HB       CYS  28   3.079   2.507  -6.109
  183    H    THR  29           H        THR  29   0.694   0.548  -7.554
  184    HA   THR  29           HA       THR  29   2.280  -0.459  -9.810
  185    HB   THR  29           HB       THR  29   0.068  -0.188 -10.961
  186    HG1  THR  29           1HG      THR  29  -0.926   1.462 -10.034
  187   1HG2  THR  29          1HG2      THR  29   0.231  -1.573  -8.284
  188   2HG2  THR  29          2HG2      THR  29   0.385  -2.282  -9.892
  189   3HG2  THR  29          3HG2      THR  29  -1.188  -1.721  -9.322
  190    H    ARG  30           H        ARG  30   0.612   2.600  -9.024
  191    HA   ARG  30           HA       ARG  30   2.081   3.901 -11.283
  192   1HB   ARG  30          2HB       ARG  30  -0.572   4.107 -10.013
  193   2HB   ARG  30          1HB       ARG  30   0.169   5.665 -10.396
  194   1HG   ARG  30          2HG       ARG  30   0.422   3.638 -12.526
  195   2HG   ARG  30          1HG       ARG  30  -1.235   4.144 -12.191
  196   1HD   ARG  30          2HD       ARG  30  -0.559   6.518 -12.443
  197   2HD   ARG  30          1HD       ARG  30   1.093   5.993 -12.825
  198    HE   ARG  30           HE       ARG  30   0.269   5.602 -14.999
  199   1HH1  ARG  30          1HH1      ARG  30  -2.493   6.652 -13.964
  200   2HH1  ARG  30          2HH1      ARG  30  -3.515   5.362 -14.506
  201   1HH2  ARG  30          1HH2      ARG  30  -0.887   3.185 -15.123
  202   2HH2  ARG  30          2HH2      ARG  30  -2.606   3.397 -15.159
  203    H    MET  31           H        MET  31   2.370   6.393 -10.720
  204    HA   MET  31           HA       MET  31   3.263   6.788  -7.905
  205   1HB   MET  31          2HB       MET  31   5.452   7.654  -8.888
  206   2HB   MET  31          1HB       MET  31   5.212   5.911  -9.012
  207   1HG   MET  31          2HG       MET  31   4.744   6.006 -11.304
  208   2HG   MET  31          1HG       MET  31   4.304   7.713 -11.241
  209   1HE   MET  31          1HE       MET  31   6.621   7.941 -13.640
  210   2HE   MET  31          2HE       MET  31   6.770   9.393 -12.655
  211   3HE   MET  31          3HE       MET  31   5.210   8.586 -12.790
  212    H    ALA  32           H        ALA  32   1.388   8.295  -7.967
  213    HA   ALA  32           HA       ALA  32   2.009  10.824  -9.465
  214   1HB   ALA  32          1HB       ALA  32   0.022  10.344 -10.456
  215   2HB   ALA  32          2HB       ALA  32  -0.716  10.793  -8.918
  216   3HB   ALA  32          3HB       ALA  32  -0.354   9.102  -9.263
  217    H    CYS  33           H        CYS  33   1.961   9.457  -6.445
  218    HA   CYS  33           HA       CYS  33   0.671  11.640  -4.972
  219   1HB   CYS  33          2HB       CYS  33   1.460   8.956  -4.561
  220   2HB   CYS  33          1HB       CYS  33   2.395   9.921  -3.417
  221    HA   PRO  34           HA       PRO  34   4.396  14.072  -5.032
  222   1HB   PRO  34          2HB       PRO  34   3.470  16.084  -3.425
  223   2HB   PRO  34          1HB       PRO  34   3.019  15.928  -5.134
  224   1HG   PRO  34          2HG       PRO  34   1.486  15.185  -2.698
  225   2HG   PRO  34          1HG       PRO  34   0.917  15.877  -4.225
  226   1HD   PRO  34          2HD       PRO  34   0.672  13.232  -3.561
  227   2HD   PRO  34          1HD       PRO  34   0.740  13.836  -5.233
  228    H    GLN  35           H        GLN  35   2.882  12.591  -2.321
  229    HA   GLN  35           HA       GLN  35   3.650  12.106  -0.133
  230   1HB   GLN  35          2HB       GLN  35   5.509  11.460  -2.162
  231   2HB   GLN  35          1HB       GLN  35   6.458  12.143  -0.840
  232   1HG   GLN  35          2HG       GLN  35   5.385  10.589   0.745
  233   2HG   GLN  35          1HG       GLN  35   4.430   9.904  -0.571
  234   1HE2  GLN  35          1HE2      GLN  35   7.516   9.799   1.016
  235   2HE2  GLN  35          2HE2      GLN  35   8.256   8.691  -0.036
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1   2.975  -2.436   7.592
    2   2H    GLU   1          2HT       GLU   1   1.751  -2.265   8.757
    3   3H    GLU   1          3HT       GLU   1   3.146  -3.166   9.113
    4    HA   GLU   1           HA       GLU   1   2.976  -0.782  10.039
    5   1HB   GLU   1          2HB       GLU   1   4.953  -2.589   9.449
    6   2HB   GLU   1          1HB       GLU   1   5.519  -1.157   8.588
    7   1HG   GLU   1          2HG       GLU   1   6.333  -0.458  10.578
    8   2HG   GLU   1          1HG       GLU   1   4.656  -0.138  11.021
    9    H    VAL   2           H        VAL   2   4.505  -1.025   6.823
   10    HA   VAL   2           HA       VAL   2   4.722   1.603   6.077
   11    HB   VAL   2           HB       VAL   2   5.407  -0.067   4.536
   12   1HG1  VAL   2          1HG1      VAL   2   4.176  -1.915   3.857
   13   2HG1  VAL   2          2HG1      VAL   2   2.632  -1.085   4.038
   14   3HG1  VAL   2          3HG1      VAL   2   3.491  -1.667   5.460
   15   1HG2  VAL   2          1HG2      VAL   2   4.727   0.987   2.656
   16   2HG2  VAL   2          2HG2      VAL   2   3.715   1.969   3.718
   17   3HG2  VAL   2          3HG2      VAL   2   3.041   0.543   2.926
   18    H    THR   3           H        THR   3   1.766  -0.289   5.490
   19    HA   THR   3           HA       THR   3  -0.078   1.686   6.388
   20    HB   THR   3           HB       THR   3   0.786   3.087   4.647
   21    HG1  THR   3           1HG      THR   3  -1.325   3.335   4.479
   22   1HG2  THR   3          1HG2      THR   3   1.177   0.550   3.325
   23   2HG2  THR   3          2HG2      THR   3   1.888   2.118   2.945
   24   3HG2  THR   3          3HG2      THR   3   0.331   1.666   2.253
   25    H    CYS   4           H        CYS   4   0.415  -1.320   5.950
   26    HA   CYS   4           HA       CYS   4  -2.343  -2.093   5.583
   27   1HB   CYS   4          2HB       CYS   4  -1.956  -3.233   3.365
   28   2HB   CYS   4          1HB       CYS   4  -1.868  -1.470   3.279
   29    H    GLU   5           H        GLU   5  -2.366  -4.622   5.123
   30    HA   GLU   5           HA       GLU   5  -0.279  -5.831   6.883
   31   1HB   GLU   5          2HB       GLU   5  -3.127  -6.396   6.120
   32   2HB   GLU   5          1HB       GLU   5  -2.121  -7.737   6.667
   33   1HG   GLU   5          2HG       GLU   5  -1.997  -6.949   8.812
   34   2HG   GLU   5          1HG       GLU   5  -1.975  -5.263   8.298
   35    HA   PRO   6           HA       PRO   6   1.506  -7.856   3.419
   36   1HB   PRO   6          2HB       PRO   6   2.498 -10.109   4.620
   37   2HB   PRO   6          1HB       PRO   6   3.228  -8.503   4.815
   38   1HG   PRO   6          2HG       PRO   6   1.418  -9.994   6.651
   39   2HG   PRO   6          1HG       PRO   6   2.830  -8.987   7.026
   40   1HD   PRO   6          2HD       PRO   6   0.263  -8.124   7.309
   41   2HD   PRO   6          1HD       PRO   6   1.624  -7.036   6.946
   42    H    GLY   7           H        GLY   7   0.480  -9.001   1.830
   43   1HA   GLY   7          2HA       GLY   7  -0.407 -11.174   1.062
   44   2HA   GLY   7          1HA       GLY   7  -1.185 -11.346   2.638
   45    H    THR   8           H        THR   8  -1.187  -8.308   0.855
   46    HA   THR   8           HA       THR   8  -3.844  -8.731  -0.303
   47    HB   THR   8           HB       THR   8  -3.526  -6.861   2.065
   48    HG1  THR   8           1HG      THR   8  -3.518  -8.782   3.004
   49   1HG2  THR   8          1HG2      THR   8  -6.082  -7.035   1.948
   50   2HG2  THR   8          2HG2      THR   8  -5.849  -7.743   0.350
   51   3HG2  THR   8          3HG2      THR   8  -5.296  -6.100   0.675
   52    H    THR   9           H        THR   9  -4.680  -6.580  -1.214
   53    HA   THR   9           HA       THR   9  -2.390  -4.760  -1.898
   54    HB   THR   9           HB       THR   9  -2.963  -6.210  -3.766
   55    HG1  THR   9           1HG      THR   9  -3.163  -4.624  -5.169
   56   1HG2  THR   9          1HG2      THR   9  -5.476  -5.779  -4.601
   57   2HG2  THR   9          2HG2      THR   9  -5.726  -5.559  -2.869
   58   3HG2  THR   9          3HG2      THR   9  -5.070  -7.077  -3.479
   59    H    PHE  10           H        PHE  10  -3.138  -2.529  -2.492
   60    HA   PHE  10           HA       PHE  10  -5.832  -1.626  -2.008
   61   1HB   PHE  10          2HB       PHE  10  -5.547  -0.733   0.231
   62   2HB   PHE  10          1HB       PHE  10  -5.076  -2.433   0.269
   63    HD1  PHE  10           1HD      PHE  10  -4.093   0.806   1.210
   64    HD2  PHE  10           2HD      PHE  10  -2.509  -2.857  -0.379
   65    HE1  PHE  10           1HE      PHE  10  -1.828   1.446   1.991
   66    HE2  PHE  10           2HE      PHE  10  -0.246  -2.217   0.400
   67    HZ   PHE  10           HZ       PHE  10   0.096  -0.069   1.584
   68    H    LYS  11           H        LYS  11  -5.895   0.810  -1.871
   69    HA   LYS  11           HA       LYS  11  -3.529   2.002  -3.268
   70   1HB   LYS  11          2HB       LYS  11  -5.545   2.078  -4.570
   71   2HB   LYS  11          1HB       LYS  11  -6.494   2.615  -3.184
   72   1HG   LYS  11          2HG       LYS  11  -5.101   4.709  -3.128
   73   2HG   LYS  11          1HG       LYS  11  -4.345   4.186  -4.633
   74   1HD   LYS  11          2HD       LYS  11  -7.318   4.637  -4.234
   75   2HD   LYS  11          1HD       LYS  11  -6.221   5.745  -5.060
   76   1HE   LYS  11          2HE       LYS  11  -6.879   4.583  -6.930
   77   2HE   LYS  11          1HE       LYS  11  -5.684   3.394  -6.372
   78   1HZ   LYS  11          1HZ       LYS  11  -7.274   2.062  -5.478
   79   2HZ   LYS  11          2HZ       LYS  11  -8.210   2.749  -6.717
   80   3HZ   LYS  11          3HZ       LYS  11  -8.329   3.343  -5.131
   81    H    ASP  12           H        ASP  12  -2.296   3.309  -1.960
   82    HA   ASP  12           HA       ASP  12  -3.515   4.445   0.507
   83   1HB   ASP  12          2HB       ASP  12  -1.483   3.198   0.810
   84   2HB   ASP  12          1HB       ASP  12  -0.695   4.045  -0.526
   85    H    LYS  13           H        LYS  13  -0.843   5.800  -1.358
   86    HA   LYS  13           HA       LYS  13  -1.814   8.497  -1.086
   87   1HB   LYS  13          2HB       LYS  13   0.232   7.398  -3.039
   88   2HB   LYS  13          1HB       LYS  13   0.181   9.016  -2.331
   89   1HG   LYS  13          2HG       LYS  13   0.159   7.293  -0.135
   90   2HG   LYS  13          1HG       LYS  13   1.306   6.558  -1.252
   91   1HD   LYS  13          2HD       LYS  13   1.908   9.270  -1.393
   92   2HD   LYS  13          1HD       LYS  13   1.568   9.005   0.319
   93   1HE   LYS  13          2HE       LYS  13   3.454   7.754   0.612
   94   2HE   LYS  13          1HE       LYS  13   3.224   6.895  -0.924
   95   1HZ   LYS  13          1HZ       LYS  13   5.046   8.251  -1.347
   96   2HZ   LYS  13          2HZ       LYS  13   4.416   9.557  -0.462
   97   3HZ   LYS  13          3HZ       LYS  13   3.756   9.154  -1.975
   98    H    CYS  14           H        CYS  14  -0.858   7.827  -4.350
   99    HA   CYS  14           HA       CYS  14  -3.699   8.152  -5.239
  100   1HB   CYS  14          2HB       CYS  14  -2.661   9.468  -7.128
  101   2HB   CYS  14          1HB       CYS  14  -2.433  10.204  -5.539
  102    H    ASN  15           H        ASN  15  -2.244   5.651  -4.849
  103    HA   ASN  15           HA       ASN  15  -2.655   4.467  -7.501
  104   1HB   ASN  15          2HB       ASN  15  -0.304   3.701  -7.689
  105   2HB   ASN  15          1HB       ASN  15  -0.392   5.465  -7.654
  106   1HD2  ASN  15          1HD2      ASN  15   2.028   4.813  -6.904
  107   2HD2  ASN  15          2HD2      ASN  15   2.238   4.741  -5.212
  108    H    THR  16           H        THR  16  -2.100   2.015  -7.335
  109    HA   THR  16           HA       THR  16  -3.293   0.960  -4.894
  110    HB   THR  16           HB       THR  16  -1.862  -0.681  -6.966
  111    HG1  THR  16           1HG      THR  16  -4.440   0.294  -7.453
  112   1HG2  THR  16          1HG2      THR  16  -3.093  -2.286  -5.993
  113   2HG2  THR  16          2HG2      THR  16  -4.567  -1.431  -6.448
  114   3HG2  THR  16          3HG2      THR  16  -3.793  -1.090  -4.901
  115    H    CYS  17           H        CYS  17  -1.863  -1.347  -4.373
  116    HA   CYS  17           HA       CYS  17   0.958  -1.151  -4.138
  117   1HB   CYS  17          2HB       CYS  17  -0.357   0.786  -2.631
  118   2HB   CYS  17          1HB       CYS  17   0.006  -0.478  -1.451
  119    H    ARG  18           H        ARG  18   1.127  -3.362  -4.154
  120    HA   ARG  18           HA       ARG  18  -0.663  -5.082  -2.603
  121   1HB   ARG  18          2HB       ARG  18   0.265  -5.661  -4.825
  122   2HB   ARG  18          1HB       ARG  18   1.894  -5.617  -4.151
  123   1HG   ARG  18          2HG       ARG  18   1.591  -7.829  -3.758
  124   2HG   ARG  18          1HG       ARG  18   0.592  -7.301  -2.404
  125   1HD   ARG  18          2HD       ARG  18  -0.745  -8.853  -3.684
  126   2HD   ARG  18          1HD       ARG  18  -1.371  -7.234  -4.054
  127    HE   ARG  18           HE       ARG  18  -0.438  -7.414  -6.233
  128   1HH1  ARG  18          1HH2      ARG  18  -0.350 -10.373  -4.695
  129   2HH1  ARG  18          2HH2      ARG  18   0.913 -11.052  -5.667
  130   1HH2  ARG  18          1HH1      ARG  18   1.663  -8.057  -7.249
  131   2HH2  ARG  18          2HH1      ARG  18   2.054  -9.739  -7.114
  132    H    CYS  19           H        CYS  19  -0.304  -4.674  -0.383
  133    HA   CYS  19           HA       CYS  19   1.970  -4.113   1.052
  134   1HB   CYS  19          2HB       CYS  19  -0.577  -4.938   1.576
  135   2HB   CYS  19          1HB       CYS  19   0.345  -6.338   2.135
  136    H    GLY  20           H        GLY  20   3.984  -5.018   0.934
  137   1HA   GLY  20          2HA       GLY  20   4.674  -7.462  -0.264
  138   2HA   GLY  20          1HA       GLY  20   5.664  -6.659   0.959
  139    H    SER  21           H        SER  21   5.815  -9.299   1.129
  140    HA   SER  21           HA       SER  21   3.709 -10.498   2.769
  141   1HB   SER  21          2HB       SER  21   4.891 -12.417   2.322
  142   2HB   SER  21          1HB       SER  21   5.638 -11.406   1.089
  143    HG   SER  21           HG       SER  21   7.434 -11.565   2.154
  144    H    ASP  22           H        ASP  22   6.184  -8.308   3.427
  145    HA   ASP  22           HA       ASP  22   6.776  -9.349   6.141
  146   1HB   ASP  22          2HB       ASP  22   8.361  -8.240   4.352
  147   2HB   ASP  22          1HB       ASP  22   7.711  -6.728   4.997
  148    H    GLY  23           H        GLY  23   4.634  -7.129   4.583
  149   1HA   GLY  23          2HA       GLY  23   2.822  -5.979   5.609
  150   2HA   GLY  23          1HA       GLY  23   3.511  -6.361   7.190
  151    H    LYS  24           H        LYS  24   5.893  -5.145   5.146
  152    HA   LYS  24           HA       LYS  24   5.372  -2.299   5.809
  153   1HB   LYS  24          2HB       LYS  24   6.480  -3.348   7.774
  154   2HB   LYS  24          1HB       LYS  24   7.809  -3.861   6.733
  155   1HG   LYS  24          2HG       LYS  24   8.501  -1.627   6.328
  156   2HG   LYS  24          1HG       LYS  24   6.985  -0.962   6.937
  157   1HD   LYS  24          2HD       LYS  24   8.806  -0.688   8.586
  158   2HD   LYS  24          1HD       LYS  24   7.540  -1.749   9.204
  159   1HE   LYS  24          2HE       LYS  24   9.044  -3.653   8.127
  160   2HE   LYS  24          1HE       LYS  24  10.325  -2.441   8.330
  161   1HZ   LYS  24          1HZ       LYS  24   8.393  -3.119  10.475
  162   2HZ   LYS  24          2HZ       LYS  24   9.827  -2.219  10.613
  163   3HZ   LYS  24          3HZ       LYS  24   9.895  -3.891  10.326
  164    H    SER  25           H        SER  25   5.450  -3.588   3.287
  165    HA   SER  25           HA       SER  25   7.424  -1.991   1.889
  166   1HB   SER  25          2HB       SER  25   7.866  -4.939   2.387
  167   2HB   SER  25          1HB       SER  25   8.571  -4.140   0.980
  168    HG   SER  25           HG       SER  25   9.605  -4.224   3.326
  169    H    ALA  26           H        ALA  26   5.964  -1.411   0.290
  170    HA   ALA  26           HA       ALA  26   4.439  -3.623  -1.036
  171   1HB   ALA  26          1HB       ALA  26   2.792  -1.755  -1.501
  172   2HB   ALA  26          2HB       ALA  26   3.791  -0.713  -0.489
  173   3HB   ALA  26          3HB       ALA  26   3.004  -2.128   0.209
  174    H    ALA  27           H        ALA  27   3.841  -2.994  -3.366
  175    HA   ALA  27           HA       ALA  27   6.276  -1.926  -4.715
  176   1HB   ALA  27          1HB       ALA  27   4.968  -4.220  -5.055
  177   2HB   ALA  27          2HB       ALA  27   5.680  -3.377  -6.433
  178   3HB   ALA  27          3HB       ALA  27   3.955  -3.219  -6.095
  179    H    CYS  28           H        CYS  28   2.763  -1.590  -4.605
  180    HA   CYS  28           HA       CYS  28   1.374   0.177  -5.259
  181   1HB   CYS  28          2HB       CYS  28   4.037   1.316  -4.721
  182   2HB   CYS  28          1HB       CYS  28   3.028   2.312  -5.773
  183    H    THR  29           H        THR  29   0.444   0.635  -7.222
  184    HA   THR  29           HA       THR  29   1.541  -0.399  -9.648
  185    HB   THR  29           HB       THR  29  -0.634   1.629  -9.050
  186    HG1  THR  29           1HG      THR  29  -1.944  -0.209  -9.373
  187   1HG2  THR  29          1HG2      THR  29  -1.432   0.732 -11.380
  188   2HG2  THR  29          2HG2      THR  29   0.274   0.343 -11.609
  189   3HG2  THR  29          3HG2      THR  29  -0.219   2.011 -11.317
  190    H    ARG  30           H        ARG  30   2.362   2.436  -7.964
  191    HA   ARG  30           HA       ARG  30   3.915   4.126  -8.547
  192   1HB   ARG  30          2HB       ARG  30   4.291   2.032 -10.388
  193   2HB   ARG  30          1HB       ARG  30   4.158   3.493 -11.372
  194   1HG   ARG  30          2HG       ARG  30   5.990   4.523 -10.312
  195   2HG   ARG  30          1HG       ARG  30   5.903   3.448  -8.916
  196   1HD   ARG  30          2HD       ARG  30   6.441   1.543 -10.600
  197   2HD   ARG  30          1HD       ARG  30   6.967   2.852 -11.678
  198    HE   ARG  30           HE       ARG  30   8.155   2.254  -9.009
  199   1HH1  ARG  30          1HH2      ARG  30   9.368   2.324 -11.923
  200   2HH1  ARG  30          2HH2      ARG  30  10.372   3.727 -11.772
  201   1HH2  ARG  30          1HH1      ARG  30   8.897   4.795  -8.820
  202   2HH2  ARG  30          2HH1      ARG  30  10.108   5.124 -10.013
  203    H    MET  31           H        MET  31   3.120   6.153  -8.779
  204    HA   MET  31           HA       MET  31   1.733   6.999 -11.213
  205   1HB   MET  31          2HB       MET  31   0.149   5.695  -9.531
  206   2HB   MET  31          1HB       MET  31   0.134   7.243  -8.685
  207   1HG   MET  31          2HG       MET  31  -1.504   7.844 -10.126
  208   2HG   MET  31          1HG       MET  31  -0.228   7.969 -11.339
  209   1HE   MET  31          1HE       MET  31  -3.348   7.003 -12.579
  210   2HE   MET  31          2HE       MET  31  -3.281   7.314 -10.847
  211   3HE   MET  31          3HE       MET  31  -3.849   5.753 -11.432
  212    H    ALA  32           H        ALA  32   2.719   7.691  -7.876
  213    HA   ALA  32           HA       ALA  32   3.741   9.648  -7.007
  214   1HB   ALA  32          1HB       ALA  32   4.524   9.645  -9.525
  215   2HB   ALA  32          2HB       ALA  32   4.712  11.105  -8.555
  216   3HB   ALA  32          3HB       ALA  32   3.362  10.962  -9.682
  217    H    CYS  33           H        CYS  33   2.730  11.267  -5.844
  218    HA   CYS  33           HA       CYS  33   0.038  12.131  -6.830
  219   1HB   CYS  33          2HB       CYS  33   0.975  12.166  -3.961
  220   2HB   CYS  33          1HB       CYS  33  -0.678  12.095  -4.572
  221    HA   PRO  34           HA       PRO  34   2.003  16.125  -6.932
  222   1HB   PRO  34          2HB       PRO  34  -0.225  17.550  -7.635
  223   2HB   PRO  34          1HB       PRO  34   0.704  16.576  -8.793
  224   1HG   PRO  34          2HG       PRO  34  -1.848  15.939  -7.403
  225   2HG   PRO  34          1HG       PRO  34  -1.343  15.574  -9.061
  226   1HD   PRO  34          2HD       PRO  34  -1.321  13.741  -7.034
  227   2HD   PRO  34          1HD       PRO  34  -0.236  13.670  -8.443
  228    H    GLN  35           H        GLN  35  -1.018  15.453  -5.214
  229    HA   GLN  35           HA       GLN  35  -0.141  16.710  -2.782
  230   1HB   GLN  35          2HB       GLN  35  -1.371  18.355  -4.885
  231   2HB   GLN  35          1HB       GLN  35  -2.172  18.513  -3.322
  232   1HG   GLN  35          2HG       GLN  35   0.438  18.600  -2.551
  233   2HG   GLN  35          1HG       GLN  35   0.544  19.354  -4.143
  234   1HE2  GLN  35          1HE2      GLN  35  -1.876  19.493  -1.455
  235   2HE2  GLN  35          2HE2      GLN  35  -1.953  21.188  -1.428
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1   5.272  -3.694   8.819
    2   2H    GLU   1          2HT       GLU   1   5.603  -3.286  10.434
    3   3H    GLU   1          3HT       GLU   1   6.093  -2.254   9.177
    4    HA   GLU   1           HA       GLU   1   3.237  -2.851   9.325
    5   1HB   GLU   1          2HB       GLU   1   4.146  -2.608  11.685
    6   2HB   GLU   1          1HB       GLU   1   4.630  -0.968  11.249
    7   1HG   GLU   1          2HG       GLU   1   1.908  -1.390  10.427
    8   2HG   GLU   1          1HG       GLU   1   2.074  -1.845  12.123
    9    H    VAL   2           H        VAL   2   4.015  -2.096   7.037
   10    HA   VAL   2           HA       VAL   2   4.809   0.677   6.688
   11    HB   VAL   2           HB       VAL   2   5.345  -0.923   4.983
   12   1HG1  VAL   2          1HG1      VAL   2   4.028  -2.726   4.692
   13   2HG1  VAL   2          2HG1      VAL   2   2.822  -1.695   3.925
   14   3HG1  VAL   2          3HG1      VAL   2   2.761  -1.981   5.664
   15   1HG2  VAL   2          1HG2      VAL   2   2.997   0.307   3.624
   16   2HG2  VAL   2          2HG2      VAL   2   4.691   0.273   3.134
   17   3HG2  VAL   2          3HG2      VAL   2   4.155   1.407   4.374
   18    H    THR   3           H        THR   3   1.772  -1.041   6.916
   19    HA   THR   3           HA       THR   3   0.074   0.964   7.733
   20    HB   THR   3           HB       THR   3   0.807   1.199   4.840
   21    HG1  THR   3           1HG      THR   3   0.997   2.675   6.897
   22   1HG2  THR   3          1HG2      THR   3  -1.996   1.227   5.856
   23   2HG2  THR   3          2HG2      THR   3  -1.386   0.820   4.252
   24   3HG2  THR   3          3HG2      THR   3  -1.536   2.510   4.735
   25    H    CYS   4           H        CYS   4   0.615  -1.842   5.768
   26    HA   CYS   4           HA       CYS   4  -2.098  -2.847   6.489
   27   1HB   CYS   4          2HB       CYS   4  -2.684  -2.344   4.346
   28   2HB   CYS   4          1HB       CYS   4  -1.008  -2.085   3.868
   29    H    GLU   5           H        GLU   5  -2.164  -5.309   5.896
   30    HA   GLU   5           HA       GLU   5   0.307  -6.550   6.971
   31   1HB   GLU   5          2HB       GLU   5  -2.591  -7.133   6.753
   32   2HB   GLU   5          1HB       GLU   5  -1.531  -8.539   6.654
   33   1HG   GLU   5          2HG       GLU   5  -0.953  -8.400   8.842
   34   2HG   GLU   5          1HG       GLU   5  -0.783  -6.645   8.776
   35    HA   PRO   6           HA       PRO   6   1.656  -8.106   3.098
   36   1HB   PRO   6          2HB       PRO   6   2.757 -10.490   3.896
   37   2HB   PRO   6          1HB       PRO   6   3.529  -8.917   4.184
   38   1HG   PRO   6          2HG       PRO   6   1.902 -10.598   6.037
   39   2HG   PRO   6          1HG       PRO   6   3.389  -9.685   6.356
   40   1HD   PRO   6          2HD       PRO   6   0.953  -8.769   7.079
   41   2HD   PRO   6          1HD       PRO   6   2.271  -7.680   6.581
   42    H    GLY   7           H        GLY   7   0.458  -9.068   1.507
   43   1HA   GLY   7          2HA       GLY   7  -0.524 -11.165   0.615
   44   2HA   GLY   7          1HA       GLY   7  -1.169 -11.471   2.232
   45    H    THR   8           H        THR   8  -1.223  -8.336   0.580
   46    HA   THR   8           HA       THR   8  -4.020  -8.595  -0.234
   47    HB   THR   8           HB       THR   8  -3.309  -6.841   2.136
   48    HG1  THR   8           1HG      THR   8  -3.755  -8.487   3.345
   49   1HG2  THR   8          1HG2      THR   8  -5.767  -7.347   0.523
   50   2HG2  THR   8          2HG2      THR   8  -5.195  -5.851   1.261
   51   3HG2  THR   8          3HG2      THR   8  -5.954  -7.091   2.257
   52    H    THR   9           H        THR   9  -4.857  -6.432  -1.010
   53    HA   THR   9           HA       THR   9  -2.617  -4.636  -1.892
   54    HB   THR   9           HB       THR   9  -3.372  -5.946  -3.759
   55    HG1  THR   9           1HG      THR   9  -4.535  -4.309  -4.982
   56   1HG2  THR   9          1HG2      THR   9  -6.084  -5.404  -2.583
   57   2HG2  THR   9          2HG2      THR   9  -5.365  -6.946  -3.048
   58   3HG2  THR   9          3HG2      THR   9  -5.921  -5.822  -4.289
   59    H    PHE  10           H        PHE  10  -3.509  -2.386  -2.479
   60    HA   PHE  10           HA       PHE  10  -6.065  -1.461  -1.533
   61   1HB   PHE  10          2HB       PHE  10  -5.303  -0.495   0.617
   62   2HB   PHE  10          1HB       PHE  10  -5.083  -2.246   0.616
   63    HD1  PHE  10           1HD      PHE  10  -3.387   1.016   0.412
   64    HD2  PHE  10           2HD      PHE  10  -2.867  -3.247   0.441
   65    HE1  PHE  10           1HE      PHE  10  -0.950   1.316   0.754
   66    HE2  PHE  10           2HE      PHE  10  -0.430  -2.948   0.786
   67    HZ   PHE  10           HZ       PHE  10   0.525  -0.666   0.936
   68    H    LYS  11           H        LYS  11  -6.106   0.934  -1.418
   69    HA   LYS  11           HA       LYS  11  -4.699   2.228  -3.513
   70   1HB   LYS  11          2HB       LYS  11  -6.869   2.746  -2.129
   71   2HB   LYS  11          1HB       LYS  11  -5.769   3.621  -1.069
   72   1HG   LYS  11          2HG       LYS  11  -5.991   5.371  -2.485
   73   2HG   LYS  11          1HG       LYS  11  -5.031   4.440  -3.637
   74   1HD   LYS  11          2HD       LYS  11  -7.153   5.167  -4.659
   75   2HD   LYS  11          1HD       LYS  11  -7.097   3.408  -4.518
   76   1HE   LYS  11          2HE       LYS  11  -8.780   3.353  -2.955
   77   2HE   LYS  11          1HE       LYS  11  -8.255   4.867  -2.193
   78   1HZ   LYS  11          1HZ       LYS  11  -9.272   6.142  -3.796
   79   2HZ   LYS  11          2HZ       LYS  11 -10.376   4.855  -3.666
   80   3HZ   LYS  11          3HZ       LYS  11  -9.270   4.903  -4.955
   81    H    ASP  12           H        ASP  12  -3.898   4.650  -2.000
   82    HA   ASP  12           HA       ASP  12  -1.946   4.235  -0.023
   83   1HB   ASP  12          2HB       ASP  12  -0.012   3.630  -1.117
   84   2HB   ASP  12          1HB       ASP  12  -1.144   2.916  -2.261
   85    H    LYS  13           H        LYS  13  -3.086   5.984  -2.808
   86    HA   LYS  13           HA       LYS  13  -3.643   8.436  -2.128
   87   1HB   LYS  13          2HB       LYS  13  -0.696   8.106  -1.720
   88   2HB   LYS  13          1HB       LYS  13  -1.315   9.677  -2.245
   89   1HG   LYS  13          2HG       LYS  13  -3.065   8.666  -0.243
   90   2HG   LYS  13          1HG       LYS  13  -1.422   8.556   0.378
   91   1HD   LYS  13          2HD       LYS  13  -1.062  10.949  -0.300
   92   2HD   LYS  13          1HD       LYS  13  -2.768  11.033  -0.739
   93   1HE   LYS  13          2HE       LYS  13  -3.134  10.117   1.721
   94   2HE   LYS  13          1HE       LYS  13  -1.528  10.825   1.987
   95   1HZ   LYS  13          1HZ       LYS  13  -4.042  12.137   1.397
   96   2HZ   LYS  13          2HZ       LYS  13  -2.721  12.708   0.494
   97   3HZ   LYS  13          3HZ       LYS  13  -2.670  12.735   2.193
   98    H    CYS  14           H        CYS  14  -0.927   7.233  -4.152
   99    HA   CYS  14           HA       CYS  14  -2.225   8.642  -6.454
  100   1HB   CYS  14          2HB       CYS  14   0.713   8.015  -6.294
  101   2HB   CYS  14          1HB       CYS  14  -0.088   9.309  -7.169
  102    H    ASN  15           H        ASN  15  -1.703   5.675  -5.121
  103    HA   ASN  15           HA       ASN  15  -2.289   4.225  -7.545
  104   1HB   ASN  15          2HB       ASN  15   0.525   4.704  -6.739
  105   2HB   ASN  15          1HB       ASN  15   0.131   3.030  -7.142
  106   1HD2  ASN  15          1HD2      ASN  15  -1.537   3.078  -9.220
  107   2HD2  ASN  15          2HD2      ASN  15  -0.910   3.969 -10.529
  108    H    THR  16           H        THR  16  -2.633   1.960  -7.099
  109    HA   THR  16           HA       THR  16  -3.229   1.355  -4.305
  110    HB   THR  16           HB       THR  16  -3.356  -0.085  -6.957
  111    HG1  THR  16           1HG      THR  16  -4.979   1.402  -6.492
  112   1HG2  THR  16          1HG2      THR  16  -4.193  -1.215  -4.281
  113   2HG2  THR  16          2HG2      THR  16  -2.732  -1.694  -5.145
  114   3HG2  THR  16          3HG2      THR  16  -4.317  -2.008  -5.851
  115    H    CYS  17           H        CYS  17  -1.918   0.194  -2.897
  116    HA   CYS  17           HA       CYS  17   0.712  -0.743  -3.967
  117   1HB   CYS  17          2HB       CYS  17  -0.240   0.709  -1.623
  118   2HB   CYS  17          1HB       CYS  17   0.803  -0.646  -1.184
  119    H    ARG  18           H        ARG  18   0.935  -2.923  -4.135
  120    HA   ARG  18           HA       ARG  18  -0.943  -4.755  -2.794
  121   1HB   ARG  18          2HB       ARG  18  -0.155  -5.100  -5.111
  122   2HB   ARG  18          1HB       ARG  18   1.512  -5.179  -4.539
  123   1HG   ARG  18          2HG       ARG  18   1.152  -7.417  -4.413
  124   2HG   ARG  18          1HG       ARG  18   0.279  -7.032  -2.929
  125   1HD   ARG  18          2HD       ARG  18  -1.813  -7.220  -3.950
  126   2HD   ARG  18          1HD       ARG  18  -1.166  -6.868  -5.564
  127    HE   ARG  18           HE       ARG  18   0.031  -9.267  -4.510
  128   1HH1  ARG  18          1HH1      ARG  18  -2.734  -7.913  -6.066
  129   2HH1  ARG  18          2HH1      ARG  18  -3.305  -9.433  -6.666
  130   1HH2  ARG  18          1HH2      ARG  18  -0.761 -11.276  -5.203
  131   2HH2  ARG  18          2HH2      ARG  18  -2.191 -11.333  -6.178
  132    H    CYS  19           H        CYS  19  -0.496  -4.620  -0.600
  133    HA   CYS  19           HA       CYS  19   1.714  -4.327   0.924
  134   1HB   CYS  19          2HB       CYS  19  -0.817  -5.550   1.076
  135   2HB   CYS  19          1HB       CYS  19   0.316  -6.712   1.766
  136    H    GLY  20           H        GLY  20   3.719  -5.252   1.067
  137   1HA   GLY  20          2HA       GLY  20   4.466  -7.466  -0.639
  138   2HA   GLY  20          1HA       GLY  20   5.507  -6.695   0.561
  139    H    SER  21           H        SER  21   6.295  -8.568   1.535
  140    HA   SER  21           HA       SER  21   4.255 -10.360   2.809
  141   1HB   SER  21          2HB       SER  21   6.621 -10.786   1.193
  142   2HB   SER  21          1HB       SER  21   6.788 -11.598   2.745
  143    HG   SER  21           HG       SER  21   5.672 -13.022   1.556
  144    H    ASP  22           H        ASP  22   6.018  -7.803   3.649
  145    HA   ASP  22           HA       ASP  22   6.871  -8.976   6.280
  146   1HB   ASP  22          2HB       ASP  22   8.393  -7.752   4.301
  147   2HB   ASP  22          1HB       ASP  22   8.106  -6.446   5.456
  148    H    GLY  23           H        GLY  23   4.381  -7.378   5.068
  149   1HA   GLY  23          2HA       GLY  23   2.894  -5.738   5.856
  150   2HA   GLY  23          1HA       GLY  23   3.488  -6.197   7.457
  151    H    LYS  24           H        LYS  24   5.816  -5.016   5.186
  152    HA   LYS  24           HA       LYS  24   5.634  -2.238   6.205
  153   1HB   LYS  24          2HB       LYS  24   6.924  -3.451   7.887
  154   2HB   LYS  24          1HB       LYS  24   7.966  -4.131   6.638
  155   1HG   LYS  24          2HG       LYS  24   8.896  -2.111   7.896
  156   2HG   LYS  24          1HG       LYS  24   8.924  -2.004   6.137
  157   1HD   LYS  24          2HD       LYS  24   6.982  -0.594   6.105
  158   2HD   LYS  24          1HD       LYS  24   6.659  -0.896   7.813
  159   1HE   LYS  24          2HE       LYS  24   8.053   0.781   8.435
  160   2HE   LYS  24          1HE       LYS  24   9.358   0.140   7.417
  161   1HZ   LYS  24          1HZ       LYS  24   8.831   2.116   6.364
  162   2HZ   LYS  24          2HZ       LYS  24   7.168   1.974   6.682
  163   3HZ   LYS  24          3HZ       LYS  24   7.895   0.999   5.496
  164    H    SER  25           H        SER  25   5.743  -4.035   3.597
  165    HA   SER  25           HA       SER  25   7.293  -2.063   2.034
  166   1HB   SER  25          2HB       SER  25   7.944  -5.027   1.993
  167   2HB   SER  25          1HB       SER  25   8.793  -3.746   1.124
  168    HG   SER  25           HG       SER  25   8.883  -4.481   3.798
  169    H    ALA  26           H        ALA  26   5.442  -1.584   0.804
  170    HA   ALA  26           HA       ALA  26   4.213  -3.881  -0.690
  171   1HB   ALA  26          1HB       ALA  26   2.138  -2.764  -0.478
  172   2HB   ALA  26          2HB       ALA  26   2.910  -1.216  -0.132
  173   3HB   ALA  26          3HB       ALA  26   2.909  -2.493   1.085
  174    H    ALA  27           H        ALA  27   3.840  -3.552  -2.936
  175    HA   ALA  27           HA       ALA  27   5.422  -1.335  -4.154
  176   1HB   ALA  27          1HB       ALA  27   4.494  -3.072  -6.131
  177   2HB   ALA  27          2HB       ALA  27   4.758  -4.121  -4.737
  178   3HB   ALA  27          3HB       ALA  27   6.081  -3.136  -5.363
  179    H    CYS  28           H        CYS  28   4.372   0.268  -5.341
  180    HA   CYS  28           HA       CYS  28   1.406   0.078  -5.441
  181   1HB   CYS  28          2HB       CYS  28   3.423   2.158  -4.994
  182   2HB   CYS  28          1HB       CYS  28   2.154   2.659  -6.117
  183    H    THR  29           H        THR  29   0.287   0.497  -7.412
  184    HA   THR  29           HA       THR  29   1.104  -0.557  -9.796
  185    HB   THR  29           HB       THR  29  -0.274   1.779 -10.533
  186    HG1  THR  29           1HG      THR  29  -1.444   0.863  -8.170
  187   1HG2  THR  29          1HG2      THR  29  -2.022  -0.336  -9.595
  188   2HG2  THR  29          2HG2      THR  29  -0.642  -0.998 -10.472
  189   3HG2  THR  29          3HG2      THR  29  -1.693   0.187 -11.248
  190    H    ARG  30           H        ARG  30   1.038   2.970 -10.071
  191    HA   ARG  30           HA       ARG  30   3.890   3.294 -10.324
  192   1HB   ARG  30          2HB       ARG  30   3.560   1.868 -12.245
  193   2HB   ARG  30          1HB       ARG  30   2.219   2.869 -12.811
  194   1HG   ARG  30          2HG       ARG  30   3.703   4.724 -13.256
  195   2HG   ARG  30          1HG       ARG  30   5.055   3.889 -12.491
  196   1HD   ARG  30          2HD       ARG  30   4.783   2.060 -14.241
  197   2HD   ARG  30          1HD       ARG  30   3.663   3.149 -15.083
  198    HE   ARG  30           HE       ARG  30   6.303   4.265 -14.328
  199   1HH1  ARG  30          1HH1      ARG  30   4.588   5.626 -16.318
  200   2HH1  ARG  30          2HH1      ARG  30   5.273   5.117 -17.826
  201   1HH2  ARG  30          1HH2      ARG  30   7.016   2.458 -16.442
  202   2HH2  ARG  30          2HH2      ARG  30   6.644   3.323 -17.897
  203    H    MET  31           H        MET  31   0.822   4.529 -11.685
  204    HA   MET  31           HA       MET  31   1.000   6.994 -12.516
  205   1HB   MET  31          2HB       MET  31  -0.840   5.702 -10.929
  206   2HB   MET  31          1HB       MET  31  -0.481   7.144  -9.986
  207   1HG   MET  31          2HG       MET  31  -1.338   7.077 -12.893
  208   2HG   MET  31          1HG       MET  31  -2.330   7.591 -11.529
  209   1HE   MET  31          1HE       MET  31  -1.046   9.988 -14.285
  210   2HE   MET  31          2HE       MET  31  -2.225  10.640 -13.148
  211   3HE   MET  31          3HE       MET  31  -2.370   8.972 -13.697
  212    H    ALA  32           H        ALA  32   1.045   7.075  -8.902
  213    HA   ALA  32           HA       ALA  32   3.504   8.739  -9.057
  214   1HB   ALA  32          1HB       ALA  32   1.551  10.084  -7.426
  215   2HB   ALA  32          2HB       ALA  32   0.861   9.762  -9.015
  216   3HB   ALA  32          3HB       ALA  32   2.366  10.670  -8.874
  217    H    CYS  33           H        CYS  33   2.985   9.806  -6.362
  218    HA   CYS  33           HA       CYS  33   3.478   9.243  -4.154
  219   1HB   CYS  33          2HB       CYS  33   1.643   7.117  -5.150
  220   2HB   CYS  33          1HB       CYS  33   2.478   6.802  -3.633
  221    HA   PRO  34           HA       PRO  34   6.933   6.652  -5.924
  222   1HB   PRO  34          2HB       PRO  34   8.781   8.669  -5.736
  223   2HB   PRO  34          1HB       PRO  34   7.748   8.420  -7.157
  224   1HG   PRO  34          2HG       PRO  34   7.337  10.310  -4.880
  225   2HG   PRO  34          1HG       PRO  34   7.247  10.621  -6.626
  226   1HD   PRO  34          2HD       PRO  34   5.018  10.212  -5.217
  227   2HD   PRO  34          1HD       PRO  34   5.209   9.522  -6.849
  228    H    GLN  35           H        GLN  35   6.036   8.371  -3.118
  229    HA   GLN  35           HA       GLN  35   8.390   7.906  -1.485
  230   1HB   GLN  35          2HB       GLN  35   6.639   9.645  -1.105
  231   2HB   GLN  35          1HB       GLN  35   5.483   8.365  -0.738
  232   1HG   GLN  35          2HG       GLN  35   8.069   8.347   0.750
  233   2HG   GLN  35          1HG       GLN  35   6.885   9.580   1.189
  234   1HE2  GLN  35          1HE2      GLN  35   5.040   8.910   2.385
  235   2HE2  GLN  35          2HE2      GLN  35   4.739   7.296   2.815
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1   7.577   4.713   4.751
    2   2H    GLU   1          2HT       GLU   1   5.944   4.840   5.204
    3   3H    GLU   1          3HT       GLU   1   6.357   4.397   3.616
    4    HA   GLU   1           HA       GLU   1   7.496   2.378   4.629
    5   1HB   GLU   1          2HB       GLU   1   5.850   3.494   6.922
    6   2HB   GLU   1          1HB       GLU   1   6.571   1.884   6.919
    7   1HG   GLU   1          2HG       GLU   1   8.526   2.750   7.608
    8   2HG   GLU   1          1HG       GLU   1   8.594   3.757   6.161
    9    H    VAL   2           H        VAL   2   5.496   0.757   5.882
   10    HA   VAL   2           HA       VAL   2   3.087   1.061   4.148
   11    HB   VAL   2           HB       VAL   2   5.145  -1.139   4.174
   12   1HG1  VAL   2          1HG1      VAL   2   3.503  -2.695   4.225
   13   2HG1  VAL   2          2HG1      VAL   2   3.029  -2.093   2.636
   14   3HG1  VAL   2          3HG1      VAL   2   2.240  -1.471   4.086
   15   1HG2  VAL   2          1HG2      VAL   2   5.041   0.774   2.475
   16   2HG2  VAL   2          2HG2      VAL   2   3.550   0.036   1.889
   17   3HG2  VAL   2          3HG2      VAL   2   5.069  -0.858   1.806
   18    H    THR   3           H        THR   3   1.745   1.358   5.972
   19    HA   THR   3           HA       THR   3   1.908  -0.454   8.285
   20    HB   THR   3           HB       THR   3  -0.166   1.629   7.534
   21    HG1  THR   3           1HG      THR   3   1.686   2.735   7.542
   22   1HG2  THR   3          1HG2      THR   3  -0.565   1.752   9.922
   23   2HG2  THR   3          2HG2      THR   3   0.767   0.639  10.241
   24   3HG2  THR   3          3HG2      THR   3  -0.687   0.065   9.423
   25    H    CYS   4           H        CYS   4   0.754  -0.890   5.240
   26    HA   CYS   4           HA       CYS   4  -1.875  -2.032   5.819
   27   1HB   CYS   4          2HB       CYS   4  -1.805  -1.290   3.650
   28   2HB   CYS   4          1HB       CYS   4  -0.061  -1.514   3.530
   29    H    GLU   5           H        GLU   5  -2.290  -4.392   5.218
   30    HA   GLU   5           HA       GLU   5  -0.342  -6.114   6.619
   31   1HB   GLU   5          2HB       GLU   5  -2.965  -6.847   5.293
   32   2HB   GLU   5          1HB       GLU   5  -2.162  -7.678   6.626
   33   1HG   GLU   5          2HG       GLU   5  -3.408  -4.915   6.697
   34   2HG   GLU   5          1HG       GLU   5  -3.977  -6.355   7.544
   35    HA   PRO   6           HA       PRO   6   1.600  -7.578   2.965
   36   1HB   PRO   6          2HB       PRO   6   2.287 -10.099   3.809
   37   2HB   PRO   6          1HB       PRO   6   3.145  -8.631   4.321
   38   1HG   PRO   6          2HG       PRO   6   1.019 -10.176   5.743
   39   2HG   PRO   6          1HG       PRO   6   2.520  -9.474   6.382
   40   1HD   PRO   6          2HD       PRO   6   0.141  -8.271   6.727
   41   2HD   PRO   6          1HD       PRO   6   1.637  -7.335   6.478
   42    H    GLY   7           H        GLY   7   0.532  -8.217   1.146
   43   1HA   GLY   7          2HA       GLY   7  -0.661  -9.701  -0.277
   44   2HA   GLY   7          1HA       GLY   7  -0.948 -10.755   1.115
   45    H    THR   8           H        THR   8  -1.837  -7.442   0.056
   46    HA   THR   8           HA       THR   8  -4.683  -8.097   0.607
   47    HB   THR   8           HB       THR   8  -3.687  -5.573   1.811
   48    HG1  THR   8           1HG      THR   8  -2.507  -6.498   3.303
   49   1HG2  THR   8          1HG2      THR   8  -5.219  -7.492   3.415
   50   2HG2  THR   8          2HG2      THR   8  -6.005  -7.068   1.895
   51   3HG2  THR   8          3HG2      THR   8  -5.568  -5.804   3.045
   52    H    THR   9           H        THR   9  -2.274  -5.850  -0.684
   53    HA   THR   9           HA       THR   9  -2.448  -4.244  -2.385
   54    HB   THR   9           HB       THR   9  -3.679  -6.559  -3.162
   55    HG1  THR   9           1HG      THR   9  -3.124  -4.126  -4.412
   56   1HG2  THR   9          1HG2      THR   9  -5.948  -6.066  -2.821
   57   2HG2  THR   9          2HG2      THR   9  -5.711  -5.616  -4.502
   58   3HG2  THR   9          3HG2      THR   9  -5.753  -4.372  -3.261
   59    H    PHE  10           H        PHE  10  -3.047  -2.165  -2.024
   60    HA   PHE  10           HA       PHE  10  -5.882  -1.521  -1.472
   61   1HB   PHE  10          2HB       PHE  10  -5.262  -0.402   0.659
   62   2HB   PHE  10          1HB       PHE  10  -4.941  -2.136   0.708
   63    HD1  PHE  10           1HD      PHE  10  -2.541  -2.891  -0.036
   64    HD2  PHE  10           2HD      PHE  10  -3.541   1.100   1.200
   65    HE1  PHE  10           1HE      PHE  10  -0.149  -2.437   0.436
   66    HE2  PHE  10           2HE      PHE  10  -1.150   1.553   1.674
   67    HZ   PHE  10           HZ       PHE  10   0.546  -0.216   1.291
   68    H    LYS  11           H        LYS  11  -6.365   0.562  -2.113
   69    HA   LYS  11           HA       LYS  11  -4.411   2.043  -3.679
   70   1HB   LYS  11          2HB       LYS  11  -6.796   1.929  -4.236
   71   2HB   LYS  11          1HB       LYS  11  -7.214   2.661  -2.686
   72   1HG   LYS  11          2HG       LYS  11  -6.125   4.732  -3.293
   73   2HG   LYS  11          1HG       LYS  11  -5.473   4.011  -4.765
   74   1HD   LYS  11          2HD       LYS  11  -8.315   3.612  -4.729
   75   2HD   LYS  11          1HD       LYS  11  -7.979   5.317  -4.432
   76   1HE   LYS  11          2HE       LYS  11  -6.271   5.025  -6.432
   77   2HE   LYS  11          1HE       LYS  11  -7.323   3.656  -6.847
   78   1HZ   LYS  11          1HZ       LYS  11  -8.239   5.601  -7.854
   79   2HZ   LYS  11          2HZ       LYS  11  -8.144   6.477  -6.401
   80   3HZ   LYS  11          3HZ       LYS  11  -9.240   5.187  -6.550
   81    H    ASP  12           H        ASP  12  -2.804   3.164  -2.591
   82    HA   ASP  12           HA       ASP  12  -3.633   4.754  -0.188
   83   1HB   ASP  12          2HB       ASP  12  -2.162   2.659   0.092
   84   2HB   ASP  12          1HB       ASP  12  -0.895   3.585  -0.719
   85    H    LYS  13           H        LYS  13  -3.423   6.903  -0.549
   86    HA   LYS  13           HA       LYS  13  -2.456   8.948  -1.228
   87   1HB   LYS  13          2HB       LYS  13  -0.266   7.334  -2.543
   88   2HB   LYS  13          1HB       LYS  13  -0.165   8.934  -1.812
   89   1HG   LYS  13          2HG       LYS  13  -1.086   7.029   0.156
   90   2HG   LYS  13          1HG       LYS  13   0.405   6.450  -0.584
   91   1HD   LYS  13          2HD       LYS  13   0.769   9.219  -0.171
   92   2HD   LYS  13          1HD       LYS  13   0.042   8.598   1.311
   93   1HE   LYS  13          2HE       LYS  13   1.839   6.650   0.949
   94   2HE   LYS  13          1HE       LYS  13   2.693   7.945   0.088
   95   1HZ   LYS  13          1HZ       LYS  13   1.413   8.557   2.658
   96   2HZ   LYS  13          2HZ       LYS  13   2.786   9.258   1.944
   97   3HZ   LYS  13          3HZ       LYS  13   2.893   7.729   2.677
   98    H    CYS  14           H        CYS  14  -1.319   6.902  -3.948
   99    HA   CYS  14           HA       CYS  14  -3.340   8.262  -5.690
  100   1HB   CYS  14          2HB       CYS  14  -1.431   8.415  -7.338
  101   2HB   CYS  14          1HB       CYS  14  -1.217   9.412  -5.893
  102    H    ASN  15           H        ASN  15  -1.117   5.534  -5.223
  103    HA   ASN  15           HA       ASN  15  -2.654   4.015  -7.302
  104   1HB   ASN  15          2HB       ASN  15   0.135   3.380  -6.354
  105   2HB   ASN  15          1HB       ASN  15  -0.609   3.012  -7.909
  106   1HD2  ASN  15          1HD2      ASN  15   1.926   4.386  -7.678
  107   2HD2  ASN  15          2HD2      ASN  15   1.715   5.970  -8.276
  108    H    THR  16           H        THR  16  -1.883   1.473  -6.743
  109    HA   THR  16           HA       THR  16  -2.857   1.039  -3.945
  110    HB   THR  16           HB       THR  16  -3.441  -0.151  -6.615
  111    HG1  THR  16           1HG      THR  16  -5.159   0.831  -5.907
  112   1HG2  THR  16          1HG2      THR  16  -4.430  -2.152  -5.194
  113   2HG2  THR  16          2HG2      THR  16  -3.105  -1.742  -4.103
  114   3HG2  THR  16          3HG2      THR  16  -2.764  -2.199  -5.772
  115    H    CYS  17           H        CYS  17  -1.608  -0.304  -2.633
  116    HA   CYS  17           HA       CYS  17   0.884  -1.431  -3.857
  117   1HB   CYS  17          2HB       CYS  17   0.134  -0.120  -1.289
  118   2HB   CYS  17          1HB       CYS  17   1.358  -1.391  -1.199
  119    H    ARG  18           H        ARG  18   0.837  -3.613  -4.086
  120    HA   ARG  18           HA       ARG  18  -1.171  -5.372  -3.119
  121   1HB   ARG  18          2HB       ARG  18   0.268  -5.854  -5.009
  122   2HB   ARG  18          1HB       ARG  18   1.702  -5.778  -3.988
  123   1HG   ARG  18          2HG       ARG  18   0.967  -8.120  -4.459
  124   2HG   ARG  18          1HG       ARG  18   0.983  -7.733  -2.740
  125   1HD   ARG  18          2HD       ARG  18  -1.398  -7.494  -2.667
  126   2HD   ARG  18          1HD       ARG  18  -1.517  -7.491  -4.438
  127    HE   ARG  18           HE       ARG  18  -0.460  -9.871  -4.220
  128   1HH1  ARG  18          1HH2      ARG  18  -3.368  -8.784  -3.065
  129   2HH1  ARG  18          2HH2      ARG  18  -3.633 -10.079  -1.946
  130   1HH2  ARG  18          1HH1      ARG  18  -0.434 -11.374  -2.277
  131   2HH2  ARG  18          2HH1      ARG  18  -1.973 -11.545  -1.501
  132    H    CYS  19           H        CYS  19   1.586  -4.065  -1.515
  133    HA   CYS  19           HA       CYS  19   2.315  -4.312   0.722
  134   1HB   CYS  19          2HB       CYS  19  -0.397  -5.052   0.633
  135   2HB   CYS  19          1HB       CYS  19   0.411  -6.340   1.536
  136    H    GLY  20           H        GLY  20   4.256  -5.384   0.531
  137   1HA   GLY  20          2HA       GLY  20   4.655  -7.973  -0.552
  138   2HA   GLY  20          1HA       GLY  20   5.785  -7.157   0.532
  139    H    SER  21           H        SER  21   6.167  -9.316   1.457
  140    HA   SER  21           HA       SER  21   3.932 -10.446   3.060
  141   1HB   SER  21          2HB       SER  21   5.287 -11.902   1.608
  142   2HB   SER  21          1HB       SER  21   6.749 -11.388   2.444
  143    HG   SER  21           HG       SER  21   4.574 -12.914   3.412
  144    H    ASP  22           H        ASP  22   6.504  -8.276   3.447
  145    HA   ASP  22           HA       ASP  22   7.240  -9.010   6.188
  146   1HB   ASP  22          2HB       ASP  22   7.754  -6.609   4.405
  147   2HB   ASP  22          1HB       ASP  22   8.512  -6.847   5.984
  148    H    GLY  23           H        GLY  23   4.790  -7.068   4.669
  149   1HA   GLY  23          2HA       GLY  23   2.928  -6.031   5.709
  150   2HA   GLY  23          1HA       GLY  23   3.626  -6.433   7.283
  151    H    LYS  24           H        LYS  24   6.137  -5.092   5.718
  152    HA   LYS  24           HA       LYS  24   5.366  -2.279   6.417
  153   1HB   LYS  24          2HB       LYS  24   6.672  -3.472   8.201
  154   2HB   LYS  24          1HB       LYS  24   7.980  -3.694   7.037
  155   1HG   LYS  24          2HG       LYS  24   8.706  -1.580   7.330
  156   2HG   LYS  24          1HG       LYS  24   7.081  -0.928   7.105
  157   1HD   LYS  24          2HD       LYS  24   7.957  -2.247   9.682
  158   2HD   LYS  24          1HD       LYS  24   8.136  -0.516   9.395
  159   1HE   LYS  24          2HE       LYS  24   5.530  -2.082   9.344
  160   2HE   LYS  24          1HE       LYS  24   6.018  -0.876  10.551
  161   1HZ   LYS  24          1HZ       LYS  24   4.834   0.411   9.072
  162   2HZ   LYS  24          2HZ       LYS  24   5.323  -0.487   7.716
  163   3HZ   LYS  24          3HZ       LYS  24   6.407   0.588   8.462
  164    H    SER  25           H        SER  25   5.989  -4.091   3.882
  165    HA   SER  25           HA       SER  25   7.353  -1.931   2.405
  166   1HB   SER  25          2HB       SER  25   8.604  -4.603   2.078
  167   2HB   SER  25          1HB       SER  25   9.356  -3.006   2.109
  168    HG   SER  25           HG       SER  25   9.585  -4.602   3.988
  169    H    ALA  26           H        ALA  26   6.635  -1.925   0.281
  170    HA   ALA  26           HA       ALA  26   5.731  -4.372  -1.052
  171   1HB   ALA  26          1HB       ALA  26   3.622  -2.281  -0.653
  172   2HB   ALA  26          2HB       ALA  26   3.953  -3.407   0.664
  173   3HB   ALA  26          3HB       ALA  26   3.436  -4.017  -0.908
  174    H    ALA  27           H        ALA  27   4.283  -3.437  -3.097
  175    HA   ALA  27           HA       ALA  27   5.780  -1.075  -4.185
  176   1HB   ALA  27          1HB       ALA  27   6.794  -2.915  -5.238
  177   2HB   ALA  27          2HB       ALA  27   5.525  -2.487  -6.385
  178   3HB   ALA  27          3HB       ALA  27   5.291  -3.838  -5.277
  179    H    CYS  28           H        CYS  28   4.513   0.268  -5.558
  180    HA   CYS  28           HA       CYS  28   1.593  -0.381  -5.568
  181   1HB   CYS  28          2HB       CYS  28   3.228   1.982  -4.946
  182   2HB   CYS  28          1HB       CYS  28   1.868   2.337  -6.017
  183    H    THR  29           H        THR  29   0.412   0.096  -7.533
  184    HA   THR  29           HA       THR  29   1.620  -0.572  -9.977
  185    HB   THR  29           HB       THR  29  -0.439   0.667 -10.911
  186    HG1  THR  29           1HG      THR  29  -1.700   1.676  -9.515
  187   1HG2  THR  29          1HG2      THR  29  -1.877  -1.072 -10.213
  188   2HG2  THR  29          2HG2      THR  29  -1.095  -1.201  -8.638
  189   3HG2  THR  29          3HG2      THR  29  -0.263  -1.773 -10.085
  190    H    ARG  30           H        ARG  30   0.205   2.547 -10.399
  191    HA   ARG  30           HA       ARG  30   2.532   4.211 -10.162
  192   1HB   ARG  30          2HB       ARG  30   3.205   4.241 -12.537
  193   2HB   ARG  30          1HB       ARG  30   3.350   2.613 -11.873
  194   1HG   ARG  30          2HG       ARG  30   0.680   2.956 -12.861
  195   2HG   ARG  30          1HG       ARG  30   1.814   3.449 -14.119
  196   1HD   ARG  30          2HD       ARG  30   3.014   1.160 -13.173
  197   2HD   ARG  30          1HD       ARG  30   1.291   0.758 -13.037
  198    HE   ARG  30           HE       ARG  30   1.199   1.734 -15.475
  199   1HH1  ARG  30          1HH2      ARG  30   4.377   1.466 -14.815
  200   2HH1  ARG  30          2HH2      ARG  30   4.741   0.214 -15.956
  201   1HH2  ARG  30          1HH1      ARG  30   1.414  -0.510 -16.621
  202   2HH2  ARG  30          2HH1      ARG  30   3.062  -0.903 -16.980
  203    H    MET  31           H        MET  31  -0.424   4.347  -9.865
  204    HA   MET  31           HA       MET  31  -1.707   5.780 -11.931
  205   1HB   MET  31          2HB       MET  31  -2.314   4.875  -9.422
  206   2HB   MET  31          1HB       MET  31  -2.300   6.615  -9.153
  207   1HG   MET  31          2HG       MET  31  -4.534   6.041  -9.812
  208   2HG   MET  31          1HG       MET  31  -3.786   6.846 -11.190
  209   1HE   MET  31          1HE       MET  31  -5.829   5.182 -13.070
  210   2HE   MET  31          2HE       MET  31  -6.137   5.711 -11.418
  211   3HE   MET  31          3HE       MET  31  -6.408   4.027 -11.862
  212    H    ALA  32           H        ALA  32  -0.846   7.600  -8.958
  213    HA   ALA  32           HA       ALA  32   1.129   9.351  -9.797
  214   1HB   ALA  32          1HB       ALA  32  -0.538  11.220 -10.713
  215   2HB   ALA  32          2HB       ALA  32  -1.503   9.810 -11.151
  216   3HB   ALA  32          3HB       ALA  32   0.130   9.996 -11.793
  217    H    CYS  33           H        CYS  33   1.511  10.380  -7.858
  218    HA   CYS  33           HA       CYS  33  -0.876  11.310  -6.296
  219   1HB   CYS  33          2HB       CYS  33   1.426  11.046  -4.616
  220   2HB   CYS  33          1HB       CYS  33  -0.063  10.110  -4.567
  221    HA   PRO  34           HA       PRO  34   0.813  15.343  -6.263
  222   1HB   PRO  34          2HB       PRO  34   0.412  16.182  -3.690
  223   2HB   PRO  34          1HB       PRO  34  -0.912  15.972  -4.855
  224   1HG   PRO  34          2HG       PRO  34  -0.038  14.187  -2.646
  225   2HG   PRO  34          1HG       PRO  34  -1.670  14.554  -3.223
  226   1HD   PRO  34          2HD       PRO  34  -0.314  12.253  -3.830
  227   2HD   PRO  34          1HD       PRO  34  -1.592  12.954  -4.852
  228    H    GLN  35           H        GLN  35   1.974  13.215  -3.691
  229    HA   GLN  35           HA       GLN  35   4.407  14.865  -3.288
  230   1HB   GLN  35          2HB       GLN  35   2.797  13.322  -1.671
  231   2HB   GLN  35          1HB       GLN  35   4.155  12.237  -1.972
  232   1HG   GLN  35          2HG       GLN  35   5.530  13.452  -0.659
  233   2HG   GLN  35          1HG       GLN  35   5.049  14.959  -1.439
  234   1HE2  GLN  35          1HE2      GLN  35   2.436  15.328  -0.812
  235   2HE2  GLN  35          2HE2      GLN  35   2.181  15.317   0.866
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1   3.030   5.960   3.976
    2   2H    GLU   1          2HT       GLU   1   4.431   5.803   3.029
    3   3H    GLU   1          3HT       GLU   1   4.503   6.593   4.532
    4    HA   GLU   1           HA       GLU   1   5.337   4.159   4.365
    5   1HB   GLU   1          2HB       GLU   1   4.680   3.955   6.715
    6   2HB   GLU   1          1HB       GLU   1   5.054   5.640   6.361
    7   1HG   GLU   1          2HG       GLU   1   2.232   4.807   5.940
    8   2HG   GLU   1          1HG       GLU   1   2.784   4.882   7.614
    9    H    VAL   2           H        VAL   2   4.346   2.007   5.139
   10    HA   VAL   2           HA       VAL   2   1.540   1.637   4.181
   11    HB   VAL   2           HB       VAL   2   3.186   1.213   2.349
   12   1HG1  VAL   2          1HG1      VAL   2   4.990  -0.172   2.594
   13   2HG1  VAL   2          2HG1      VAL   2   4.138  -1.256   3.695
   14   3HG1  VAL   2          3HG1      VAL   2   4.808   0.262   4.294
   15   1HG2  VAL   2          1HG2      VAL   2   2.265  -1.520   3.058
   16   2HG2  VAL   2          2HG2      VAL   2   1.993  -0.588   1.585
   17   3HG2  VAL   2          3HG2      VAL   2   1.018  -0.273   3.020
   18    H    THR   3           H        THR   3   1.308   1.471   6.627
   19    HA   THR   3           HA       THR   3   2.548  -0.738   8.050
   20    HB   THR   3           HB       THR   3   1.608   1.454   8.959
   21    HG1  THR   3           1HG      THR   3   1.102  -1.103   9.942
   22   1HG2  THR   3          1HG2      THR   3  -0.653   0.691   7.591
   23   2HG2  THR   3          2HG2      THR   3  -0.609   1.915   8.859
   24   3HG2  THR   3          3HG2      THR   3  -1.060   0.257   9.251
   25    H    CYS   4           H        CYS   4   0.146  -0.645   5.694
   26    HA   CYS   4           HA       CYS   4  -1.928  -2.320   6.419
   27   1HB   CYS   4          2HB       CYS   4  -2.035  -1.606   4.234
   28   2HB   CYS   4          1HB       CYS   4  -0.299  -1.784   3.983
   29    H    GLU   5           H        GLU   5  -2.158  -4.727   5.886
   30    HA   GLU   5           HA       GLU   5   0.082  -6.215   7.147
   31   1HB   GLU   5          2HB       GLU   5  -2.836  -6.405   6.865
   32   2HB   GLU   5          1HB       GLU   5  -2.020  -7.956   6.658
   33   1HG   GLU   5          2HG       GLU   5  -0.692  -6.914   8.824
   34   2HG   GLU   5          1HG       GLU   5  -2.328  -6.309   9.080
   35    HA   PRO   6           HA       PRO   6   1.471  -7.846   3.306
   36   1HB   PRO   6          2HB       PRO   6   2.570 -10.193   4.195
   37   2HB   PRO   6          1HB       PRO   6   3.329  -8.608   4.451
   38   1HG   PRO   6          2HG       PRO   6   1.687 -10.242   6.331
   39   2HG   PRO   6          1HG       PRO   6   3.162  -9.307   6.641
   40   1HD   PRO   6          2HD       PRO   6   0.695  -8.398   7.291
   41   2HD   PRO   6          1HD       PRO   6   2.024  -7.314   6.814
   42    H    GLY   7           H        GLY   7  -0.023  -8.626   1.858
   43   1HA   GLY   7          2HA       GLY   7  -0.848 -10.915   1.043
   44   2HA   GLY   7          1HA       GLY   7  -1.592 -11.049   2.640
   45    H    THR   8           H        THR   8  -1.462  -8.044   0.784
   46    HA   THR   8           HA       THR   8  -4.172  -8.302  -0.274
   47    HB   THR   8           HB       THR   8  -4.119  -6.126   1.695
   48    HG1  THR   8           1HG      THR   8  -3.330  -7.267   3.249
   49   1HG2  THR   8          1HG2      THR   8  -6.343  -6.701   1.948
   50   2HG2  THR   8          2HG2      THR   8  -6.033  -8.421   1.717
   51   3HG2  THR   8          3HG2      THR   8  -6.040  -7.331   0.329
   52    H    THR   9           H        THR   9  -4.877  -6.250  -1.308
   53    HA   THR   9           HA       THR   9  -2.583  -4.408  -1.925
   54    HB   THR   9           HB       THR   9  -3.319  -6.099  -3.702
   55    HG1  THR   9           1HG      THR   9  -2.565  -3.679  -3.917
   56   1HG2  THR   9          1HG2      THR   9  -5.480  -6.229  -4.323
   57   2HG2  THR   9          2HG2      THR   9  -5.586  -4.481  -4.533
   58   3HG2  THR   9          3HG2      THR   9  -5.853  -5.195  -2.943
   59    H    PHE  10           H        PHE  10  -3.330  -2.159  -2.429
   60    HA   PHE  10           HA       PHE  10  -6.128  -1.448  -1.986
   61   1HB   PHE  10          2HB       PHE  10  -5.639  -0.238   0.158
   62   2HB   PHE  10          1HB       PHE  10  -5.462  -1.988   0.290
   63    HD1  PHE  10           1HD      PHE  10  -3.240  -3.029   0.454
   64    HD2  PHE  10           2HD      PHE  10  -3.705   1.231   0.183
   65    HE1  PHE  10           1HE      PHE  10  -0.879  -2.725   1.157
   66    HE2  PHE  10           2HE      PHE  10  -1.346   1.537   0.885
   67    HZ   PHE  10           HZ       PHE  10   0.069  -0.441   1.371
   68    H    LYS  11           H        LYS  11  -6.529   0.645  -2.682
   69    HA   LYS  11           HA       LYS  11  -4.371   2.059  -4.076
   70   1HB   LYS  11          2HB       LYS  11  -6.562   1.906  -5.075
   71   2HB   LYS  11          1HB       LYS  11  -7.329   2.532  -3.614
   72   1HG   LYS  11          2HG       LYS  11  -5.282   4.360  -4.536
   73   2HG   LYS  11          1HG       LYS  11  -6.438   4.028  -5.828
   74   1HD   LYS  11          2HD       LYS  11  -7.309   4.734  -3.019
   75   2HD   LYS  11          1HD       LYS  11  -7.037   5.958  -4.259
   76   1HE   LYS  11          2HE       LYS  11  -8.731   4.942  -5.701
   77   2HE   LYS  11          1HE       LYS  11  -8.956   3.617  -4.541
   78   1HZ   LYS  11          1HZ       LYS  11  -9.305   5.508  -2.859
   79   2HZ   LYS  11          2HZ       LYS  11 -10.581   5.130  -3.916
   80   3HZ   LYS  11          3HZ       LYS  11  -9.595   6.482  -4.217
   81    H    ASP  12           H        ASP  12  -2.971   3.190  -2.734
   82    HA   ASP  12           HA       ASP  12  -4.218   5.098  -0.789
   83   1HB   ASP  12          2HB       ASP  12  -2.762   2.774  -0.219
   84   2HB   ASP  12          1HB       ASP  12  -1.599   4.085  -0.005
   85    H    LYS  13           H        LYS  13  -2.993   7.044  -0.485
   86    HA   LYS  13           HA       LYS  13  -1.538   8.784  -1.113
   87   1HB   LYS  13          2HB       LYS  13   0.076   6.549  -2.377
   88   2HB   LYS  13          1HB       LYS  13   0.673   8.097  -1.779
   89   1HG   LYS  13          2HG       LYS  13  -0.811   6.587   0.251
   90   2HG   LYS  13          1HG       LYS  13   0.620   5.738  -0.334
   91   1HD   LYS  13          2HD       LYS  13   1.230   7.164   1.556
   92   2HD   LYS  13          1HD       LYS  13   1.968   7.790   0.081
   93   1HE   LYS  13          2HE       LYS  13   0.126   9.432  -0.147
   94   2HE   LYS  13          1HE       LYS  13  -0.592   8.820   1.356
   95   1HZ   LYS  13          1HZ       LYS  13   2.113  10.003   1.027
   96   2HZ   LYS  13          2HZ       LYS  13   1.570   9.249   2.450
   97   3HZ   LYS  13          3HZ       LYS  13   0.814  10.667   1.895
   98    H    CYS  14           H        CYS  14  -0.883   6.654  -3.914
   99    HA   CYS  14           HA       CYS  14  -2.506   8.483  -5.627
  100   1HB   CYS  14          2HB       CYS  14  -0.488   8.560  -7.145
  101   2HB   CYS  14          1HB       CYS  14  -0.271   9.385  -5.598
  102    H    ASN  15           H        ASN  15  -1.796   5.319  -4.802
  103    HA   ASN  15           HA       ASN  15  -3.167   4.229  -7.102
  104   1HB   ASN  15          2HB       ASN  15  -1.050   3.088  -7.994
  105   2HB   ASN  15          1HB       ASN  15  -1.160   4.826  -8.267
  106   1HD2  ASN  15          1HD2      ASN  15   1.100   5.302  -8.204
  107   2HD2  ASN  15          2HD2      ASN  15   2.052   5.073  -6.808
  108    H    THR  16           H        THR  16  -2.750   1.709  -7.152
  109    HA   THR  16           HA       THR  16  -3.192   0.701  -4.452
  110    HB   THR  16           HB       THR  16  -2.901  -0.593  -7.176
  111    HG1  THR  16           1HG      THR  16  -5.327  -0.669  -6.002
  112   1HG2  THR  16          1HG2      THR  16  -3.305  -1.714  -4.455
  113   2HG2  THR  16          2HG2      THR  16  -2.583  -2.456  -5.884
  114   3HG2  THR  16          3HG2      THR  16  -4.337  -2.363  -5.730
  115    H    CYS  17           H        CYS  17  -1.737  -0.416  -3.162
  116    HA   CYS  17           HA       CYS  17   0.972  -0.974  -4.320
  117   1HB   CYS  17          2HB       CYS  17   0.192   0.904  -2.358
  118   2HB   CYS  17          1HB       CYS  17   1.001  -0.401  -1.483
  119    H    ARG  18           H        ARG  18   0.378  -3.215  -4.579
  120    HA   ARG  18           HA       ARG  18  -0.862  -4.980  -2.843
  121   1HB   ARG  18          2HB       ARG  18   0.035  -5.564  -5.037
  122   2HB   ARG  18          1HB       ARG  18   1.679  -5.312  -4.461
  123   1HG   ARG  18          2HG       ARG  18   1.393  -7.654  -4.337
  124   2HG   ARG  18          1HG       ARG  18   1.130  -7.103  -2.682
  125   1HD   ARG  18          2HD       ARG  18  -1.263  -7.256  -2.921
  126   2HD   ARG  18          1HD       ARG  18  -1.125  -7.526  -4.671
  127    HE   ARG  18           HE       ARG  18   0.165  -9.442  -2.780
  128   1HH1  ARG  18          1HH2      ARG  18  -2.765  -9.933  -3.107
  129   2HH1  ARG  18          2HH2      ARG  18  -2.808 -11.020  -4.455
  130   1HH2  ARG  18          1HH1      ARG  18   0.431 -10.306  -5.470
  131   2HH2  ARG  18          2HH1      ARG  18  -0.996 -11.236  -5.788
  132    H    CYS  19           H        CYS  19  -0.573  -4.963  -0.649
  133    HA   CYS  19           HA       CYS  19   1.661  -4.211   0.851
  134   1HB   CYS  19          2HB       CYS  19  -0.850  -5.344   1.224
  135   2HB   CYS  19          1HB       CYS  19   0.248  -6.560   1.879
  136    H    GLY  20           H        GLY  20   3.690  -5.099   1.080
  137   1HA   GLY  20          2HA       GLY  20   4.440  -7.469  -0.395
  138   2HA   GLY  20          1HA       GLY  20   5.483  -6.577   0.719
  139    H    SER  21           H        SER  21   5.938  -9.088   1.045
  140    HA   SER  21           HA       SER  21   4.046 -10.258   3.027
  141   1HB   SER  21          2HB       SER  21   6.516 -11.391   1.679
  142   2HB   SER  21          1HB       SER  21   5.309 -12.303   2.578
  143    HG   SER  21           HG       SER  21   5.304 -11.635   0.011
  144    H    ASP  22           H        ASP  22   6.540  -8.146   3.156
  145    HA   ASP  22           HA       ASP  22   8.138  -9.376   5.293
  146   1HB   ASP  22          2HB       ASP  22   8.079  -6.898   3.646
  147   2HB   ASP  22          1HB       ASP  22   8.852  -6.763   5.229
  148    H    GLY  23           H        GLY  23   5.406  -7.177   5.019
  149   1HA   GLY  23          2HA       GLY  23   3.977  -7.237   7.145
  150   2HA   GLY  23          1HA       GLY  23   5.469  -6.802   7.985
  151    H    LYS  24           H        LYS  24   6.521  -4.886   6.252
  152    HA   LYS  24           HA       LYS  24   4.372  -2.818   6.026
  153   1HB   LYS  24          2HB       LYS  24   6.029  -1.257   7.147
  154   2HB   LYS  24          1HB       LYS  24   5.396  -2.528   8.195
  155   1HG   LYS  24          2HG       LYS  24   7.823  -3.263   6.674
  156   2HG   LYS  24          1HG       LYS  24   8.058  -2.001   7.885
  157   1HD   LYS  24          2HD       LYS  24   7.841  -3.465   9.587
  158   2HD   LYS  24          1HD       LYS  24   6.388  -4.176   8.884
  159   1HE   LYS  24          2HE       LYS  24   7.896  -5.979   8.794
  160   2HE   LYS  24          1HE       LYS  24   8.113  -5.260   7.187
  161   1HZ   LYS  24          1HZ       LYS  24  10.173  -5.645   8.706
  162   2HZ   LYS  24          2HZ       LYS  24   9.656  -4.214   9.460
  163   3HZ   LYS  24          3HZ       LYS  24  10.045  -4.214   7.807
  164    H    SER  25           H        SER  25   5.211  -3.963   3.733
  165    HA   SER  25           HA       SER  25   6.683  -1.802   2.398
  166   1HB   SER  25          2HB       SER  25   7.890  -4.541   2.168
  167   2HB   SER  25          1HB       SER  25   8.660  -2.966   1.969
  168    HG   SER  25           HG       SER  25   9.134  -4.143   3.970
  169    H    ALA  26           H        ALA  26   6.096  -1.732   0.226
  170    HA   ALA  26           HA       ALA  26   5.195  -4.118  -1.214
  171   1HB   ALA  26          1HB       ALA  26   2.898  -2.692  -1.476
  172   2HB   ALA  26          2HB       ALA  26   3.357  -2.240   0.165
  173   3HB   ALA  26          3HB       ALA  26   3.125  -3.936  -0.249
  174    H    ALA  27           H        ALA  27   4.316  -3.418  -3.445
  175    HA   ALA  27           HA       ALA  27   5.790  -0.963  -4.340
  176   1HB   ALA  27          1HB       ALA  27   5.520  -2.264  -6.589
  177   2HB   ALA  27          2HB       ALA  27   5.131  -3.637  -5.553
  178   3HB   ALA  27          3HB       ALA  27   6.702  -2.845  -5.416
  179    H    CYS  28           H        CYS  28   4.636   0.573  -5.543
  180    HA   CYS  28           HA       CYS  28   1.699   0.222  -5.556
  181   1HB   CYS  28          2HB       CYS  28   3.666   2.480  -5.743
  182   2HB   CYS  28          1HB       CYS  28   2.029   2.732  -6.355
  183    H    THR  29           H        THR  29   0.495   0.155  -7.472
  184    HA   THR  29           HA       THR  29   1.632  -0.836  -9.860
  185    HB   THR  29           HB       THR  29  -0.584  -0.167 -10.814
  186    HG1  THR  29           1HG      THR  29  -1.867   1.168  -9.718
  187   1HG2  THR  29          1HG2      THR  29  -0.561  -2.222  -9.599
  188   2HG2  THR  29          2HG2      THR  29  -1.968  -1.333  -9.016
  189   3HG2  THR  29          3HG2      THR  29  -0.494  -1.383  -8.049
  190    H    ARG  30           H        ARG  30  -0.014   2.290  -9.946
  191    HA   ARG  30           HA       ARG  30   1.824   3.308 -11.971
  192   1HB   ARG  30          2HB       ARG  30  -0.767   3.693 -11.400
  193   2HB   ARG  30          1HB       ARG  30  -0.101   5.038 -10.468
  194   1HG   ARG  30          2HG       ARG  30   0.480   6.202 -12.333
  195   2HG   ARG  30          1HG       ARG  30   1.031   4.755 -13.178
  196   1HD   ARG  30          2HD       ARG  30  -1.755   4.429 -12.947
  197   2HD   ARG  30          1HD       ARG  30  -1.517   6.126 -13.413
  198    HE   ARG  30           HE       ARG  30   0.083   4.107 -14.875
  199   1HH1  ARG  30          1HH2      ARG  30  -3.129   4.848 -14.978
  200   2HH1  ARG  30          2HH2      ARG  30  -3.135   5.520 -16.574
  201   1HH2  ARG  30          1HH1      ARG  30   0.321   5.590 -16.844
  202   2HH2  ARG  30          2HH1      ARG  30  -1.182   5.944 -17.628
  203    H    MET  31           H        MET  31   1.507   6.077 -10.625
  204    HA   MET  31           HA       MET  31   3.000   6.122  -8.186
  205   1HB   MET  31          2HB       MET  31   4.474   5.267 -10.383
  206   2HB   MET  31          1HB       MET  31   4.892   6.975 -10.257
  207   1HG   MET  31          2HG       MET  31   5.505   6.685  -7.906
  208   2HG   MET  31          1HG       MET  31   5.010   4.993  -7.965
  209   1HE   MET  31          1HE       MET  31   8.481   7.280  -9.313
  210   2HE   MET  31          2HE       MET  31   6.783   7.705  -9.513
  211   3HE   MET  31          3HE       MET  31   7.654   6.942 -10.840
  212    H    ALA  32           H        ALA  32   1.030   7.732  -8.446
  213    HA   ALA  32           HA       ALA  32   2.157  10.365  -9.375
  214   1HB   ALA  32          1HB       ALA  32   0.584   9.873 -11.024
  215   2HB   ALA  32          2HB       ALA  32  -0.416  10.745  -9.861
  216   3HB   ALA  32          3HB       ALA  32  -0.452   8.983  -9.907
  217    H    CYS  33           H        CYS  33   2.668  10.337  -6.898
  218    HA   CYS  33           HA       CYS  33   0.244  11.314  -5.431
  219   1HB   CYS  33          2HB       CYS  33   2.176  10.424  -3.556
  220   2HB   CYS  33          1HB       CYS  33   0.634   9.665  -3.938
  221    HA   PRO  34           HA       PRO  34   2.660  14.977  -4.993
  222   1HB   PRO  34          2HB       PRO  34   1.037  16.260  -3.208
  223   2HB   PRO  34          1HB       PRO  34   0.643  16.106  -4.931
  224   1HG   PRO  34          2HG       PRO  34  -0.407  14.587  -2.606
  225   2HG   PRO  34          1HG       PRO  34  -1.229  15.100  -4.087
  226   1HD   PRO  34          2HD       PRO  34  -0.315  12.545  -3.611
  227   2HD   PRO  34          1HD       PRO  34  -0.605  13.232  -5.225
  228    H    GLN  35           H        GLN  35   1.464  13.228  -2.149
  229    HA   GLN  35           HA       GLN  35   4.015  13.930  -0.741
  230   1HB   GLN  35          2HB       GLN  35   1.242  14.550  -0.102
  231   2HB   GLN  35          1HB       GLN  35   2.008  13.637   1.198
  232   1HG   GLN  35          2HG       GLN  35   3.085  16.174  -0.068
  233   2HG   GLN  35          1HG       GLN  35   2.364  16.042   1.538
  234   1HE2  GLN  35          1HE2      GLN  35   3.684  13.337   1.959
  235   2HE2  GLN  35          2HE2      GLN  35   5.309  13.694   2.293
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1   6.852   3.448   3.784
    2   2H    GLU   1          2HT       GLU   1   7.352   4.606   4.922
    3   3H    GLU   1          3HT       GLU   1   5.821   4.729   4.199
    4    HA   GLU   1           HA       GLU   1   6.679   2.528   6.013
    5   1HB   GLU   1          2HB       GLU   1   5.409   3.709   7.678
    6   2HB   GLU   1          1HB       GLU   1   6.449   4.911   6.912
    7   1HG   GLU   1          2HG       GLU   1   4.533   5.460   5.363
    8   2HG   GLU   1          1HG       GLU   1   3.515   4.414   6.353
    9    H    VAL   2           H        VAL   2   4.783   1.192   6.629
   10    HA   VAL   2           HA       VAL   2   2.328   1.441   5.014
   11    HB   VAL   2           HB       VAL   2   4.477  -0.640   4.596
   12   1HG1  VAL   2          1HG1      VAL   2   2.658  -2.089   4.779
   13   2HG1  VAL   2          2HG1      VAL   2   2.593  -1.667   3.068
   14   3HG1  VAL   2          3HG1      VAL   2   1.508  -0.879   4.213
   15   1HG2  VAL   2          1HG2      VAL   2   3.736  -0.078   2.170
   16   2HG2  VAL   2          2HG2      VAL   2   4.671   1.132   3.048
   17   3HG2  VAL   2          3HG2      VAL   2   2.923   1.308   2.897
   18    H    THR   3           H        THR   3   1.042   1.305   6.870
   19    HA   THR   3           HA       THR   3   1.567  -0.758   8.917
   20    HB   THR   3           HB       THR   3   0.860   1.487   9.562
   21    HG1  THR   3           1HG      THR   3  -1.280   0.829  10.508
   22   1HG2  THR   3          1HG2      THR   3  -0.944   1.108   7.313
   23   2HG2  THR   3          2HG2      THR   3  -0.453   2.603   8.110
   24   3HG2  THR   3          3HG2      THR   3  -1.808   1.668   8.744
   25    H    CYS   4           H        CYS   4   0.595  -1.287   6.001
   26    HA   CYS   4           HA       CYS   4  -2.051  -2.510   6.447
   27   1HB   CYS   4          2HB       CYS   4  -1.976  -1.635   4.326
   28   2HB   CYS   4          1HB       CYS   4  -0.223  -1.784   4.221
   29    H    GLU   5           H        GLU   5  -2.314  -4.854   5.697
   30    HA   GLU   5           HA       GLU   5  -0.263  -6.529   7.026
   31   1HB   GLU   5          2HB       GLU   5  -2.983  -7.130   5.809
   32   2HB   GLU   5          1HB       GLU   5  -2.033  -8.251   6.786
   33   1HG   GLU   5          2HG       GLU   5  -2.847  -5.519   7.794
   34   2HG   GLU   5          1HG       GLU   5  -3.851  -6.950   8.028
   35    HA   PRO   6           HA       PRO   6   1.571  -7.829   3.258
   36   1HB   PRO   6          2HB       PRO   6   2.423 -10.331   3.986
   37   2HB   PRO   6          1HB       PRO   6   3.215  -8.839   4.532
   38   1HG   PRO   6          2HG       PRO   6   1.262 -10.580   5.965
   39   2HG   PRO   6          1HG       PRO   6   2.712  -9.762   6.580
   40   1HD   PRO   6          2HD       PRO   6   0.202  -8.814   6.987
   41   2HD   PRO   6          1HD       PRO   6   1.628  -7.756   6.856
   42    H    GLY   7           H        GLY   7   1.089  -9.153   1.428
   43   1HA   GLY   7          2HA       GLY   7  -0.118 -10.727   0.141
   44   2HA   GLY   7          1HA       GLY   7  -0.809 -11.366   1.638
   45    H    THR   8           H        THR   8  -0.922  -7.955   0.768
   46    HA   THR   8           HA       THR   8  -3.791  -8.215   0.002
   47    HB   THR   8           HB       THR   8  -3.272  -6.044   1.899
   48    HG1  THR   8           1HG      THR   8  -2.902  -8.738   2.704
   49   1HG2  THR   8          1HG2      THR   8  -5.357  -7.828   1.101
   50   2HG2  THR   8          2HG2      THR   8  -5.472  -6.405   2.136
   51   3HG2  THR   8          3HG2      THR   8  -5.133  -7.984   2.843
   52    H    THR   9           H        THR   9  -4.632  -6.017  -0.742
   53    HA   THR   9           HA       THR   9  -2.463  -4.246  -1.795
   54    HB   THR   9           HB       THR   9  -3.005  -5.760  -3.587
   55    HG1  THR   9           1HG      THR   9  -4.721  -3.590  -4.096
   56   1HG2  THR   9          1HG2      THR   9  -5.921  -5.130  -3.056
   57   2HG2  THR   9          2HG2      THR   9  -5.107  -6.607  -2.537
   58   3HG2  THR   9          3HG2      THR   9  -5.291  -6.258  -4.257
   59    H    PHE  10           H        PHE  10  -3.443  -2.110  -2.554
   60    HA   PHE  10           HA       PHE  10  -6.133  -1.359  -1.888
   61   1HB   PHE  10          2HB       PHE  10  -5.529  -0.099   0.225
   62   2HB   PHE  10          1HB       PHE  10  -5.448  -1.853   0.379
   63    HD1  PHE  10           1HD      PHE  10  -3.302  -3.016   0.528
   64    HD2  PHE  10           2HD      PHE  10  -3.497   1.261   0.161
   65    HE1  PHE  10           1HE      PHE  10  -0.913  -2.850   1.180
   66    HE2  PHE  10           2HE      PHE  10  -1.110   1.426   0.814
   67    HZ   PHE  10           HZ       PHE  10   0.182  -0.629   1.322
   68    H    LYS  11           H        LYS  11  -6.485   0.930  -2.247
   69    HA   LYS  11           HA       LYS  11  -4.401   2.180  -3.921
   70   1HB   LYS  11          2HB       LYS  11  -6.993   1.994  -4.263
   71   2HB   LYS  11          1HB       LYS  11  -7.056   3.376  -3.168
   72   1HG   LYS  11          2HG       LYS  11  -5.435   4.568  -4.661
   73   2HG   LYS  11          1HG       LYS  11  -5.545   3.218  -5.791
   74   1HD   LYS  11          2HD       LYS  11  -8.157   3.680  -5.523
   75   2HD   LYS  11          1HD       LYS  11  -7.581   5.298  -5.118
   76   1HE   LYS  11          2HE       LYS  11  -6.853   5.715  -7.255
   77   2HE   LYS  11          1HE       LYS  11  -6.341   4.035  -7.514
   78   1HZ   LYS  11          1HZ       LYS  11  -9.132   5.053  -7.454
   79   2HZ   LYS  11          2HZ       LYS  11  -8.717   3.407  -7.509
   80   3HZ   LYS  11          3HZ       LYS  11  -8.310   4.433  -8.802
   81    H    ASP  12           H        ASP  12  -2.791   3.045  -2.584
   82    HA   ASP  12           HA       ASP  12  -3.715   5.001  -0.505
   83   1HB   ASP  12          2HB       ASP  12  -2.290   2.649  -0.187
   84   2HB   ASP  12          1HB       ASP  12  -1.014   3.872  -0.236
   85    H    LYS  13           H        LYS  13  -2.281   6.859  -0.225
   86    HA   LYS  13           HA       LYS  13  -0.980   8.637  -1.043
   87   1HB   LYS  13          2HB       LYS  13   0.415   6.495  -2.668
   88   2HB   LYS  13          1HB       LYS  13   1.108   7.961  -1.973
   89   1HG   LYS  13          2HG       LYS  13  -0.125   6.342   0.096
   90   2HG   LYS  13          1HG       LYS  13   1.064   5.404  -0.805
   91   1HD   LYS  13          2HD       LYS  13   2.824   6.788  -0.195
   92   2HD   LYS  13          1HD       LYS  13   1.776   8.187   0.045
   93   1HE   LYS  13          2HE       LYS  13   1.699   7.719   2.258
   94   2HE   LYS  13          1HE       LYS  13   0.953   6.152   1.886
   95   1HZ   LYS  13          1HZ       LYS  13   3.009   5.698   2.956
   96   2HZ   LYS  13          2HZ       LYS  13   3.848   6.797   1.968
   97   3HZ   LYS  13          3HZ       LYS  13   3.234   5.356   1.310
   98    H    CYS  14           H        CYS  14  -0.752   6.662  -4.033
   99    HA   CYS  14           HA       CYS  14  -2.849   8.271  -5.329
  100   1HB   CYS  14          2HB       CYS  14  -1.299   9.324  -6.903
  101   2HB   CYS  14          1HB       CYS  14  -0.826   9.718  -5.248
  102    H    ASN  15           H        ASN  15  -1.790   5.349  -4.906
  103    HA   ASN  15           HA       ASN  15  -2.785   4.322  -7.421
  104   1HB   ASN  15          2HB       ASN  15  -0.211   3.168  -7.498
  105   2HB   ASN  15          1HB       ASN  15  -0.857   4.372  -8.608
  106   1HD2  ASN  15          1HD2      ASN  15   1.026   5.598  -8.915
  107   2HD2  ASN  15          2HD2      ASN  15   1.793   6.459  -7.669
  108    H    THR  16           H        THR  16  -2.877   1.930  -7.375
  109    HA   THR  16           HA       THR  16  -3.482   0.856  -4.806
  110    HB   THR  16           HB       THR  16  -2.640  -0.665  -7.288
  111    HG1  THR  16           1HG      THR  16  -4.554  -0.195  -8.147
  112   1HG2  THR  16          1HG2      THR  16  -3.082  -1.990  -5.247
  113   2HG2  THR  16          2HG2      THR  16  -4.300  -2.290  -6.489
  114   3HG2  THR  16          3HG2      THR  16  -4.675  -1.245  -5.118
  115    H    CYS  17           H        CYS  17  -2.255  -0.652  -3.509
  116    HA   CYS  17           HA       CYS  17   0.627  -0.936  -4.220
  117   1HB   CYS  17          2HB       CYS  17  -0.562   0.194  -1.672
  118   2HB   CYS  17          1HB       CYS  17   1.144  -0.228  -1.859
  119    H    ARG  18           H        ARG  18   0.865  -3.130  -4.266
  120    HA   ARG  18           HA       ARG  18  -0.761  -4.931  -2.638
  121   1HB   ARG  18          2HB       ARG  18   0.032  -5.451  -4.920
  122   2HB   ARG  18          1HB       ARG  18   1.702  -5.348  -4.365
  123   1HG   ARG  18          2HG       ARG  18   1.446  -7.607  -4.098
  124   2HG   ARG  18          1HG       ARG  18   0.737  -7.114  -2.560
  125   1HD   ARG  18          2HD       ARG  18  -1.237  -8.026  -3.183
  126   2HD   ARG  18          1HD       ARG  18  -1.291  -6.948  -4.592
  127    HE   ARG  18           HE       ARG  18   0.589  -9.104  -5.010
  128   1HH1  ARG  18          1HH2      ARG  18  -2.317  -7.734  -5.968
  129   2HH1  ARG  18          2HH2      ARG  18  -2.978  -9.179  -6.656
  130   1HH2  ARG  18          1HH1      ARG  18  -0.438 -11.219  -5.469
  131   2HH2  ARG  18          2HH1      ARG  18  -1.913 -11.154  -6.374
  132    H    CYS  19           H        CYS  19  -0.368  -5.013  -0.507
  133    HA   CYS  19           HA       CYS  19   1.950  -4.296   0.907
  134   1HB   CYS  19          2HB       CYS  19  -0.599  -5.437   1.308
  135   2HB   CYS  19          1HB       CYS  19   0.543  -6.539   2.072
  136    H    GLY  20           H        GLY  20   3.921  -5.317   1.203
  137   1HA   GLY  20          2HA       GLY  20   4.594  -7.664  -0.342
  138   2HA   GLY  20          1HA       GLY  20   5.639  -6.885   0.852
  139    H    SER  21           H        SER  21   6.076  -9.303   1.277
  140    HA   SER  21           HA       SER  21   3.962 -10.657   2.854
  141   1HB   SER  21          2HB       SER  21   5.398 -11.796   1.131
  142   2HB   SER  21          1HB       SER  21   6.796 -11.488   2.158
  143    HG   SER  21           HG       SER  21   4.701 -13.282   2.459
  144    H    ASP  22           H        ASP  22   6.718  -8.647   3.367
  145    HA   ASP  22           HA       ASP  22   7.034  -9.589   6.180
  146   1HB   ASP  22          2HB       ASP  22   8.679  -8.330   4.091
  147   2HB   ASP  22          1HB       ASP  22   8.898  -7.604   5.687
  148    H    GLY  23           H        GLY  23   4.904  -7.673   4.792
  149   1HA   GLY  23          2HA       GLY  23   3.692  -5.776   5.454
  150   2HA   GLY  23          1HA       GLY  23   4.305  -6.109   7.078
  151    H    LYS  24           H        LYS  24   4.126  -3.534   6.731
  152    HA   LYS  24           HA       LYS  24   5.305  -1.488   6.538
  153   1HB   LYS  24          2HB       LYS  24   6.671  -3.394   8.022
  154   2HB   LYS  24          1HB       LYS  24   7.902  -2.808   6.904
  155   1HG   LYS  24          2HG       LYS  24   7.174  -0.445   7.555
  156   2HG   LYS  24          1HG       LYS  24   6.263  -1.193   8.868
  157   1HD   LYS  24          2HD       LYS  24   8.369  -2.294   9.645
  158   2HD   LYS  24          1HD       LYS  24   9.251  -1.409   8.399
  159   1HE   LYS  24          2HE       LYS  24   8.870   0.679   9.439
  160   2HE   LYS  24          1HE       LYS  24   7.518   0.049  10.403
  161   1HZ   LYS  24          1HZ       LYS  24   9.577   0.212  11.709
  162   2HZ   LYS  24          2HZ       LYS  24  10.341  -0.856  10.630
  163   3HZ   LYS  24          3HZ       LYS  24   9.036  -1.390  11.577
  164    H    SER  25           H        SER  25   5.116  -3.349   4.077
  165    HA   SER  25           HA       SER  25   6.842  -1.741   2.345
  166   1HB   SER  25          2HB       SER  25   7.374  -4.713   2.490
  167   2HB   SER  25          1HB       SER  25   8.355  -3.467   1.715
  168    HG   SER  25           HG       SER  25   9.373  -3.548   3.569
  169    H    ALA  26           H        ALA  26   5.741  -1.551   0.433
  170    HA   ALA  26           HA       ALA  26   4.250  -3.851  -0.677
  171   1HB   ALA  26          1HB       ALA  26   2.912  -2.410   1.089
  172   2HB   ALA  26          2HB       ALA  26   2.123  -2.913  -0.406
  173   3HB   ALA  26          3HB       ALA  26   2.759  -1.275  -0.253
  174    H    ALA  27           H        ALA  27   4.030  -3.655  -2.931
  175    HA   ALA  27           HA       ALA  27   5.372  -1.306  -4.181
  176   1HB   ALA  27          1HB       ALA  27   6.245  -2.963  -5.449
  177   2HB   ALA  27          2HB       ALA  27   4.627  -3.360  -6.028
  178   3HB   ALA  27          3HB       ALA  27   5.263  -4.143  -4.581
  179    H    CYS  28           H        CYS  28   4.268  -0.126  -5.870
  180    HA   CYS  28           HA       CYS  28   1.307  -0.569  -5.881
  181   1HB   CYS  28          2HB       CYS  28   2.828   2.017  -6.306
  182   2HB   CYS  28          1HB       CYS  28   1.099   1.837  -5.996
  183    H    THR  29           H        THR  29   0.224  -0.432  -7.865
  184    HA   THR  29           HA       THR  29   1.358  -1.353 -10.220
  185    HB   THR  29           HB       THR  29  -0.622  -0.199 -11.291
  186    HG1  THR  29           1HG      THR  29  -1.403   1.445 -10.280
  187   1HG2  THR  29          1HG2      THR  29  -0.541  -2.310  -9.527
  188   2HG2  THR  29          2HG2      THR  29  -1.951  -1.844 -10.477
  189   3HG2  THR  29          3HG2      THR  29  -1.781  -1.279  -8.817
  190    H    ARG  30           H        ARG  30   0.540   2.094  -9.756
  191    HA   ARG  30           HA       ARG  30   2.536   2.810 -11.807
  192   1HB   ARG  30          2HB       ARG  30   0.046   3.816 -10.796
  193   2HB   ARG  30          1HB       ARG  30   1.271   5.084 -10.681
  194   1HG   ARG  30          2HG       ARG  30   1.588   5.184 -12.962
  195   2HG   ARG  30          1HG       ARG  30   1.174   3.486 -13.200
  196   1HD   ARG  30          2HD       ARG  30  -0.976   4.024 -13.663
  197   2HD   ARG  30          1HD       ARG  30  -1.108   4.965 -12.162
  198    HE   ARG  30           HE       ARG  30   0.253   6.104 -14.571
  199   1HH1  ARG  30          1HH1      ARG  30   0.194   7.734 -12.098
  200   2HH1  ARG  30          2HH1      ARG  30  -1.218   8.714 -12.321
  201   1HH2  ARG  30          1HH2      ARG  30  -2.535   6.712 -14.827
  202   2HH2  ARG  30          2HH2      ARG  30  -2.761   8.136 -13.868
  203    H    MET  31           H        MET  31   1.868   3.497  -8.383
  204    HA   MET  31           HA       MET  31   3.290   4.350  -6.692
  205   1HB   MET  31          2HB       MET  31   4.385   2.202  -7.633
  206   2HB   MET  31          1HB       MET  31   5.495   3.296  -8.459
  207   1HG   MET  31          2HG       MET  31   5.774   4.385  -6.096
  208   2HG   MET  31          1HG       MET  31   5.132   2.851  -5.508
  209   1HE   MET  31          1HE       MET  31   7.936   4.785  -7.179
  210   2HE   MET  31          2HE       MET  31   9.299   3.860  -6.555
  211   3HE   MET  31          3HE       MET  31   8.114   4.530  -5.437
  212    H    ALA  32           H        ALA  32   3.312   6.582  -6.740
  213    HA   ALA  32           HA       ALA  32   5.491   8.135  -7.530
  214   1HB   ALA  32          1HB       ALA  32   5.324   7.712  -9.801
  215   2HB   ALA  32          2HB       ALA  32   4.226   9.088  -9.695
  216   3HB   ALA  32          3HB       ALA  32   3.582   7.447  -9.724
  217    H    CYS  33           H        CYS  33   4.121   8.659  -5.409
  218    HA   CYS  33           HA       CYS  33   1.876  10.502  -6.012
  219   1HB   CYS  33          2HB       CYS  33   3.008   9.561  -3.360
  220   2HB   CYS  33          1HB       CYS  33   1.414  10.272  -3.645
  221    HA   PRO  34           HA       PRO  34   4.301  14.108  -5.363
  222   1HB   PRO  34          2HB       PRO  34   2.463  15.783  -4.224
  223   2HB   PRO  34          1HB       PRO  34   2.427  15.333  -5.940
  224   1HG   PRO  34          2HG       PRO  34   0.803  14.292  -3.677
  225   2HG   PRO  34          1HG       PRO  34   0.331  14.616  -5.352
  226   1HD   PRO  34          2HD       PRO  34   0.864  12.117  -4.378
  227   2HD   PRO  34          1HD       PRO  34   1.055  12.576  -6.087
  228    H    GLN  35           H        GLN  35   2.889  12.416  -2.721
  229    HA   GLN  35           HA       GLN  35   3.956  14.115  -0.592
  230   1HB   GLN  35          2HB       GLN  35   1.935  12.736  -0.343
  231   2HB   GLN  35          1HB       GLN  35   2.877  11.278  -0.663
  232   1HG   GLN  35          2HG       GLN  35   3.678  11.200   1.453
  233   2HG   GLN  35          1HG       GLN  35   4.011  12.932   1.478
  234   1HE2  GLN  35          1HE2      GLN  35   2.996  12.260   3.819
  235   2HE2  GLN  35          2HE2      GLN  35   1.330  12.556   3.949
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1   5.414   5.743   5.160
    2   2H    GLU   1          2HT       GLU   1   3.933   5.191   4.538
    3   3H    GLU   1          3HT       GLU   1   5.328   5.166   3.567
    4    HA   GLU   1           HA       GLU   1   6.235   3.349   4.649
    5   1HB   GLU   1          2HB       GLU   1   5.206   4.816   6.826
    6   2HB   GLU   1          1HB       GLU   1   4.485   3.212   6.958
    7   1HG   GLU   1          2HG       GLU   1   6.681   3.372   8.133
    8   2HG   GLU   1          1HG       GLU   1   6.687   2.169   6.844
    9    H    VAL   2           H        VAL   2   4.726   1.345   5.917
   10    HA   VAL   2           HA       VAL   2   2.225   1.070   4.333
   11    HB   VAL   2           HB       VAL   2   4.775  -0.493   4.077
   12   1HG1  VAL   2          1HG1      VAL   2   3.536  -2.395   4.457
   13   2HG1  VAL   2          2HG1      VAL   2   3.084  -2.133   2.772
   14   3HG1  VAL   2          3HG1      VAL   2   2.008  -1.605   4.067
   15   1HG2  VAL   2          1HG2      VAL   2   4.394   1.058   2.329
   16   2HG2  VAL   2          2HG2      VAL   2   2.674   0.679   2.255
   17   3HG2  VAL   2          3HG2      VAL   2   3.858  -0.483   1.659
   18    H    THR   3           H        THR   3   1.130   1.106   6.381
   19    HA   THR   3           HA       THR   3   1.797  -1.036   8.335
   20    HB   THR   3           HB       THR   3   0.348   0.232   9.801
   21    HG1  THR   3           1HG      THR   3  -1.362   0.893   8.746
   22   1HG2  THR   3          1HG2      THR   3   1.918   1.820  10.038
   23   2HG2  THR   3          2HG2      THR   3   1.347   2.647   8.588
   24   3HG2  THR   3          3HG2      THR   3   2.557   1.370   8.457
   25    H    CYS   4           H        CYS   4   0.349  -1.164   5.541
   26    HA   CYS   4           HA       CYS   4  -2.325  -2.148   6.206
   27   1HB   CYS   4          2HB       CYS   4  -2.430  -1.378   4.069
   28   2HB   CYS   4          1HB       CYS   4  -0.677  -1.410   3.908
   29    H    GLU   5           H        GLU   5  -2.855  -4.460   5.223
   30    HA   GLU   5           HA       GLU   5  -1.273  -6.407   6.694
   31   1HB   GLU   5          2HB       GLU   5  -3.799  -6.340   6.168
   32   2HB   GLU   5          1HB       GLU   5  -3.357  -6.930   4.564
   33   1HG   GLU   5          2HG       GLU   5  -2.450  -8.947   5.439
   34   2HG   GLU   5          1HG       GLU   5  -2.425  -8.312   7.084
   35    HA   PRO   6           HA       PRO   6   1.659  -7.085   3.438
   36   1HB   PRO   6          2HB       PRO   6   2.740  -9.397   4.453
   37   2HB   PRO   6          1HB       PRO   6   3.137  -7.784   5.075
   38   1HG   PRO   6          2HG       PRO   6   1.217  -9.804   6.144
   39   2HG   PRO   6          1HG       PRO   6   2.368  -8.770   7.013
   40   1HD   PRO   6          2HD       PRO   6  -0.266  -8.193   6.880
   41   2HD   PRO   6          1HD       PRO   6   0.984  -6.925   6.925
   42    H    GLY   7           H        GLY   7   0.716  -7.753   1.538
   43   1HA   GLY   7          2HA       GLY   7   0.220  -9.481  -0.056
   44   2HA   GLY   7          1HA       GLY   7  -0.020 -10.611   1.283
   45    H    THR   8           H        THR   8  -1.456  -7.493   0.217
   46    HA   THR   8           HA       THR   8  -4.134  -8.765   0.192
   47    HB   THR   8           HB       THR   8  -3.159  -6.709   2.171
   48    HG1  THR   8           1HG      THR   8  -3.332  -8.429   3.336
   49   1HG2  THR   8          1HG2      THR   8  -5.167  -5.753   1.137
   50   2HG2  THR   8          2HG2      THR   8  -5.527  -6.300   2.775
   51   3HG2  THR   8          3HG2      THR   8  -6.035  -7.267   1.391
   52    H    THR   9           H        THR   9  -2.145  -5.875  -0.298
   53    HA   THR   9           HA       THR   9  -2.253  -4.309  -2.056
   54    HB   THR   9           HB       THR   9  -3.449  -6.574  -3.034
   55    HG1  THR   9           1HG      THR   9  -3.603  -5.069  -5.002
   56   1HG2  THR   9          1HG2      THR   9  -5.671  -5.243  -2.331
   57   2HG2  THR   9          2HG2      THR   9  -5.596  -6.238  -3.784
   58   3HG2  THR   9          3HG2      THR   9  -5.396  -4.490  -3.902
   59    H    PHE  10           H        PHE  10  -3.227  -2.281  -2.226
   60    HA   PHE  10           HA       PHE  10  -5.940  -1.668  -1.499
   61   1HB   PHE  10          2HB       PHE  10  -5.552  -0.807   0.752
   62   2HB   PHE  10          1HB       PHE  10  -4.980  -2.474   0.689
   63    HD1  PHE  10           1HD      PHE  10  -4.081   0.951   1.325
   64    HD2  PHE  10           2HD      PHE  10  -2.493  -2.882   0.210
   65    HE1  PHE  10           1HE      PHE  10  -1.807   1.705   1.968
   66    HE2  PHE  10           2HE      PHE  10  -0.220  -2.129   0.856
   67    HZ   PHE  10           HZ       PHE  10   0.123   0.165   1.734
   68    H    LYS  11           H        LYS  11  -6.282   0.702  -1.466
   69    HA   LYS  11           HA       LYS  11  -4.208   2.129  -3.030
   70   1HB   LYS  11          2HB       LYS  11  -6.589   2.114  -3.708
   71   2HB   LYS  11          1HB       LYS  11  -7.028   2.859  -2.170
   72   1HG   LYS  11          2HG       LYS  11  -4.900   4.272  -3.645
   73   2HG   LYS  11          1HG       LYS  11  -6.468   4.264  -4.454
   74   1HD   LYS  11          2HD       LYS  11  -6.488   4.834  -1.538
   75   2HD   LYS  11          1HD       LYS  11  -5.812   6.089  -2.578
   76   1HE   LYS  11          2HE       LYS  11  -7.851   6.614  -3.459
   77   2HE   LYS  11          1HE       LYS  11  -8.339   4.911  -3.571
   78   1HZ   LYS  11          1HZ       LYS  11  -9.648   5.733  -1.848
   79   2HZ   LYS  11          2HZ       LYS  11  -8.397   6.693  -1.213
   80   3HZ   LYS  11          3HZ       LYS  11  -8.353   5.005  -1.029
   81    H    ASP  12           H        ASP  12  -3.087   3.929  -2.222
   82    HA   ASP  12           HA       ASP  12  -3.672   4.729   0.608
   83   1HB   ASP  12          2HB       ASP  12  -1.742   3.182   0.407
   84   2HB   ASP  12          1HB       ASP  12  -0.985   4.299  -0.734
   85    H    LYS  13           H        LYS  13  -2.000   5.651  -2.399
   86    HA   LYS  13           HA       LYS  13  -2.630   8.515  -1.760
   87   1HB   LYS  13          2HB       LYS  13  -0.196   7.297  -3.115
   88   2HB   LYS  13          1HB       LYS  13  -0.451   9.025  -2.834
   89   1HG   LYS  13          2HG       LYS  13  -0.892   7.761  -0.347
   90   2HG   LYS  13          1HG       LYS  13   0.565   7.023  -1.013
   91   1HD   LYS  13          2HD       LYS  13   0.263  10.001  -1.161
   92   2HD   LYS  13          1HD       LYS  13   0.721   9.269   0.378
   93   1HE   LYS  13          2HE       LYS  13   2.166   8.829  -2.263
   94   2HE   LYS  13          1HE       LYS  13   2.739   9.854  -0.932
   95   1HZ   LYS  13          1HZ       LYS  13   3.715   7.861  -0.397
   96   2HZ   LYS  13          2HZ       LYS  13   2.440   6.930  -1.026
   97   3HZ   LYS  13          3HZ       LYS  13   2.260   7.728   0.463
   98    H    CYS  14           H        CYS  14  -1.025   7.660  -4.725
   99    HA   CYS  14           HA       CYS  14  -3.584   8.151  -6.208
  100   1HB   CYS  14          2HB       CYS  14  -0.718   8.949  -6.535
  101   2HB   CYS  14          1HB       CYS  14  -1.681   8.736  -7.996
  102    H    ASN  15           H        ASN  15  -1.994   5.618  -5.196
  103    HA   ASN  15           HA       ASN  15  -2.492   4.049  -7.666
  104   1HB   ASN  15          2HB       ASN  15  -0.020   3.140  -6.501
  105   2HB   ASN  15          1HB       ASN  15  -0.293   3.763  -8.126
  106   1HD2  ASN  15          1HD2      ASN  15   1.532   4.308  -5.384
  107   2HD2  ASN  15          2HD2      ASN  15   1.845   5.973  -5.587
  108    H    THR  16           H        THR  16  -1.427   1.621  -6.717
  109    HA   THR  16           HA       THR  16  -2.886   1.202  -4.127
  110    HB   THR  16           HB       THR  16  -2.973  -0.304  -6.747
  111    HG1  THR  16           1HG      THR  16  -4.469   1.378  -6.378
  112   1HG2  THR  16          1HG2      THR  16  -2.803  -2.124  -5.320
  113   2HG2  THR  16          2HG2      THR  16  -4.541  -1.830  -5.262
  114   3HG2  THR  16          3HG2      THR  16  -3.504  -1.250  -3.958
  115    H    CYS  17           H        CYS  17  -1.619   0.150  -2.629
  116    HA   CYS  17           HA       CYS  17   0.985  -0.984  -3.518
  117   1HB   CYS  17          2HB       CYS  17  -0.235   0.091  -1.004
  118   2HB   CYS  17          1HB       CYS  17   1.123  -1.031  -0.863
  119    H    ARG  18           H        ARG  18   0.987  -3.154  -3.926
  120    HA   ARG  18           HA       ARG  18  -1.031  -5.019  -3.204
  121   1HB   ARG  18          2HB       ARG  18   0.472  -5.479  -4.991
  122   2HB   ARG  18          1HB       ARG  18   1.884  -5.203  -3.970
  123   1HG   ARG  18          2HG       ARG  18   1.528  -7.613  -4.324
  124   2HG   ARG  18          1HG       ARG  18   1.301  -7.191  -2.627
  125   1HD   ARG  18          2HD       ARG  18  -0.927  -7.709  -2.672
  126   2HD   ARG  18          1HD       ARG  18  -1.147  -7.012  -4.290
  127    HE   ARG  18           HE       ARG  18   0.382  -9.554  -4.052
  128   1HH1  ARG  18          1HH1      ARG  18  -1.512  -7.641  -6.020
  129   2HH1  ARG  18          2HH1      ARG  18  -2.501  -8.924  -6.633
  130   1HH2  ARG  18          1HH2      ARG  18  -1.271 -11.289  -4.414
  131   2HH2  ARG  18          2HH2      ARG  18  -2.365 -10.990  -5.723
  132    H    CYS  19           H        CYS  19   1.419  -3.605  -1.272
  133    HA   CYS  19           HA       CYS  19   2.061  -3.966   0.966
  134   1HB   CYS  19          2HB       CYS  19  -0.640  -4.661   0.685
  135   2HB   CYS  19          1HB       CYS  19   0.076  -6.035   1.528
  136    H    GLY  20           H        GLY  20   4.034  -5.018   0.361
  137   1HA   GLY  20          2HA       GLY  20   4.419  -7.618  -0.558
  138   2HA   GLY  20          1HA       GLY  20   5.558  -6.803   0.520
  139    H    SER  21           H        SER  21   5.364  -9.480   0.822
  140    HA   SER  21           HA       SER  21   3.368 -10.157   2.884
  141   1HB   SER  21          2HB       SER  21   4.560 -12.368   2.707
  142   2HB   SER  21          1HB       SER  21   3.961 -11.766   1.165
  143    HG   SER  21           HG       SER  21   5.963 -11.972   0.557
  144    H    ASP  22           H        ASP  22   5.890  -8.234   3.137
  145    HA   ASP  22           HA       ASP  22   7.345  -9.538   5.350
  146   1HB   ASP  22          2HB       ASP  22   7.539  -6.733   4.210
  147   2HB   ASP  22          1HB       ASP  22   8.761  -7.572   5.171
  148    H    GLY  23           H        GLY  23   4.987  -6.929   4.866
  149   1HA   GLY  23          2HA       GLY  23   3.367  -6.690   6.807
  150   2HA   GLY  23          1HA       GLY  23   4.798  -6.678   7.844
  151    H    LYS  24           H        LYS  24   6.303  -5.067   5.817
  152    HA   LYS  24           HA       LYS  24   4.837  -2.486   5.815
  153   1HB   LYS  24          2HB       LYS  24   6.728  -3.321   7.808
  154   2HB   LYS  24          1HB       LYS  24   7.434  -1.995   6.883
  155   1HG   LYS  24          2HG       LYS  24   5.287  -0.720   7.215
  156   2HG   LYS  24          1HG       LYS  24   4.762  -2.000   8.311
  157   1HD   LYS  24          2HD       LYS  24   6.007  -1.163   9.991
  158   2HD   LYS  24          1HD       LYS  24   7.446  -1.130   8.973
  159   1HE   LYS  24          2HE       LYS  24   7.272   1.112   8.707
  160   2HE   LYS  24          1HE       LYS  24   5.580   0.963   8.189
  161   1HZ   LYS  24          1HZ       LYS  24   5.160   0.447  10.660
  162   2HZ   LYS  24          2HZ       LYS  24   5.397   2.066  10.203
  163   3HZ   LYS  24          3HZ       LYS  24   6.660   1.190  10.927
  164    H    SER  25           H        SER  25   5.506  -3.909   3.558
  165    HA   SER  25           HA       SER  25   7.362  -2.089   2.211
  166   1HB   SER  25          2HB       SER  25   8.041  -4.983   2.799
  167   2HB   SER  25          1HB       SER  25   8.875  -4.032   1.568
  168    HG   SER  25           HG       SER  25   9.733  -2.776   3.100
  169    H    ALA  26           H        ALA  26   6.410  -1.815   0.235
  170    HA   ALA  26           HA       ALA  26   5.299  -4.197  -1.173
  171   1HB   ALA  26          1HB       ALA  26   3.222  -3.515  -0.590
  172   2HB   ALA  26          2HB       ALA  26   3.482  -2.106  -1.619
  173   3HB   ALA  26          3HB       ALA  26   3.849  -2.019   0.105
  174    H    ALA  27           H        ALA  27   4.635  -3.472  -3.484
  175    HA   ALA  27           HA       ALA  27   6.816  -1.767  -4.586
  176   1HB   ALA  27          1HB       ALA  27   5.450  -2.857  -6.692
  177   2HB   ALA  27          2HB       ALA  27   5.111  -4.037  -5.425
  178   3HB   ALA  27          3HB       ALA  27   6.780  -3.670  -5.864
  179    H    CYS  28           H        CYS  28   3.329  -2.274  -4.928
  180    HA   CYS  28           HA       CYS  28   1.596  -0.723  -5.219
  181   1HB   CYS  28          2HB       CYS  28   3.673   0.679  -3.995
  182   2HB   CYS  28          1HB       CYS  28   3.234   1.678  -5.387
  183    H    THR  29           H        THR  29   0.582  -0.064  -7.079
  184    HA   THR  29           HA       THR  29   1.495  -0.577  -9.634
  185    HB   THR  29           HB       THR  29  -0.143   1.886  -9.085
  186    HG1  THR  29           1HG      THR  29  -1.837   0.068  -8.850
  187   1HG2  THR  29          1HG2      THR  29  -1.552   0.273 -10.765
  188   2HG2  THR  29          2HG2      THR  29   0.099  -0.208 -11.156
  189   3HG2  THR  29          3HG2      THR  29  -0.389   1.481 -11.311
  190    H    ARG  30           H        ARG  30   2.322   2.173  -7.622
  191    HA   ARG  30           HA       ARG  30   4.040   3.784  -7.917
  192   1HB   ARG  30          2HB       ARG  30   4.786   1.551  -9.349
  193   2HB   ARG  30          1HB       ARG  30   4.793   2.803 -10.596
  194   1HG   ARG  30          2HG       ARG  30   6.070   3.398  -7.951
  195   2HG   ARG  30          1HG       ARG  30   6.942   2.392  -9.109
  196   1HD   ARG  30          2HD       ARG  30   6.215   4.335 -10.796
  197   2HD   ARG  30          1HD       ARG  30   6.212   5.284  -9.296
  198    HE   ARG  30           HE       ARG  30   8.557   4.642  -8.952
  199   1HH1  ARG  30          1HH1      ARG  30   7.661   2.395 -11.166
  200   2HH1  ARG  30          2HH1      ARG  30   8.925   2.707 -12.310
  201   1HH2  ARG  30          1HH2      ARG  30   9.966   5.632 -10.764
  202   2HH2  ARG  30          2HH2      ARG  30  10.227   4.542 -12.084
  203    H    MET  31           H        MET  31   2.189   5.301  -8.222
  204    HA   MET  31           HA       MET  31   1.955   6.218 -11.071
  205   1HB   MET  31          2HB       MET  31  -0.003   5.158  -9.422
  206   2HB   MET  31          1HB       MET  31  -0.232   6.897  -9.234
  207   1HG   MET  31          2HG       MET  31  -1.168   7.042 -11.272
  208   2HG   MET  31          1HG       MET  31   0.246   6.288 -12.009
  209   1HE   MET  31          1HE       MET  31  -3.007   6.270 -12.405
  210   2HE   MET  31          2HE       MET  31  -3.372   4.637 -12.955
  211   3HE   MET  31          3HE       MET  31  -2.034   5.526 -13.678
  212    H    ALA  32           H        ALA  32   2.830   7.026  -7.855
  213    HA   ALA  32           HA       ALA  32   3.669   9.066  -6.976
  214   1HB   ALA  32          1HB       ALA  32   3.171  10.307  -9.671
  215   2HB   ALA  32          2HB       ALA  32   4.418   9.071  -9.502
  216   3HB   ALA  32          3HB       ALA  32   4.522  10.562  -8.566
  217    H    CYS  33           H        CYS  33   2.545  10.599  -5.791
  218    HA   CYS  33           HA       CYS  33  -0.095  11.525  -6.868
  219   1HB   CYS  33          2HB       CYS  33   0.064   9.648  -5.019
  220   2HB   CYS  33          1HB       CYS  33   0.386  11.013  -3.951
  221    HA   PRO  34           HA       PRO  34   1.927  15.363  -5.764
  222   1HB   PRO  34          2HB       PRO  34   0.094  16.990  -6.970
  223   2HB   PRO  34          1HB       PRO  34   1.358  16.130  -7.871
  224   1HG   PRO  34          2HG       PRO  34  -1.528  15.518  -7.611
  225   2HG   PRO  34          1HG       PRO  34  -0.434  15.255  -8.975
  226   1HD   PRO  34          2HD       PRO  34  -1.279  13.300  -7.201
  227   2HD   PRO  34          1HD       PRO  34   0.153  13.187  -8.250
  228    H    GLN  35           H        GLN  35  -0.793  13.941  -4.548
  229    HA   GLN  35           HA       GLN  35  -1.315  16.245  -2.699
  230   1HB   GLN  35          2HB       GLN  35  -3.020  15.564  -4.612
  231   2HB   GLN  35          1HB       GLN  35  -3.452  14.285  -3.477
  232   1HG   GLN  35          2HG       GLN  35  -3.240  17.103  -2.472
  233   2HG   GLN  35          1HG       GLN  35  -4.682  16.622  -3.369
  234   1HE2  GLN  35          1HE2      GLN  35  -3.222  16.569  -0.270
  235   2HE2  GLN  35          2HE2      GLN  35  -4.277  15.459   0.462
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1   9.767   1.295   6.302
    2   2H    GLU   1          2HT       GLU   1   9.020   1.115   4.786
    3   3H    GLU   1          3HT       GLU   1   8.345   0.381   6.162
    4    HA   GLU   1           HA       GLU   1   8.280   2.852   7.031
    5   1HB   GLU   1          2HB       GLU   1   9.507   3.608   5.017
    6   2HB   GLU   1          1HB       GLU   1   8.201   2.998   3.999
    7   1HG   GLU   1          2HG       GLU   1   7.377   5.111   4.183
    8   2HG   GLU   1          1HG       GLU   1   6.810   4.560   5.760
    9    H    VAL   2           H        VAL   2   6.891   0.537   4.804
   10    HA   VAL   2           HA       VAL   2   4.166   1.585   5.017
   11    HB   VAL   2           HB       VAL   2   5.673  -0.551   3.633
   12   1HG1  VAL   2          1HG1      VAL   2   3.756  -1.981   3.191
   13   2HG1  VAL   2          2HG1      VAL   2   2.716  -0.955   4.180
   14   3HG1  VAL   2          3HG1      VAL   2   4.002  -1.897   4.935
   15   1HG2  VAL   2          1HG2      VAL   2   3.704   0.070   1.970
   16   2HG2  VAL   2          2HG2      VAL   2   5.041   1.191   2.232
   17   3HG2  VAL   2          3HG2      VAL   2   3.506   1.439   3.064
   18    H    THR   3           H        THR   3   2.580   0.859   6.421
   19    HA   THR   3           HA       THR   3   3.313  -1.323   8.350
   20    HB   THR   3           HB       THR   3   2.555   0.028  10.128
   21    HG1  THR   3           1HG      THR   3   0.725   0.959   9.770
   22   1HG2  THR   3          1HG2      THR   3   3.341   2.403   8.560
   23   2HG2  THR   3          2HG2      THR   3   4.483   1.061   8.492
   24   3HG2  THR   3          3HG2      THR   3   4.031   1.756  10.049
   25    H    CYS   4           H        CYS   4   1.816  -1.533   5.879
   26    HA   CYS   4           HA       CYS   4  -1.035  -1.602   6.603
   27   1HB   CYS   4          2HB       CYS   4  -1.333  -1.851   4.283
   28   2HB   CYS   4          1HB       CYS   4   0.163  -0.921   4.380
   29    H    GLU   5           H        GLU   5  -1.964  -3.833   5.333
   30    HA   GLU   5           HA       GLU   5  -0.957  -6.032   7.072
   31   1HB   GLU   5          2HB       GLU   5  -3.470  -5.750   5.391
   32   2HB   GLU   5          1HB       GLU   5  -3.165  -6.995   6.603
   33   1HG   GLU   5          2HG       GLU   5  -2.892  -4.155   7.470
   34   2HG   GLU   5          1HG       GLU   5  -4.524  -4.760   7.187
   35    HA   PRO   6           HA       PRO   6   0.972  -7.582   3.335
   36   1HB   PRO   6          2HB       PRO   6   2.064  -9.809   4.504
   37   2HB   PRO   6          1HB       PRO   6   2.772  -8.190   4.662
   38   1HG   PRO   6          2HG       PRO   6   1.069  -9.698   6.579
   39   2HG   PRO   6          1HG       PRO   6   2.487  -8.679   6.885
   40   1HD   PRO   6          2HD       PRO   6  -0.059  -7.829   7.295
   41   2HD   PRO   6          1HD       PRO   6   1.267  -6.735   6.835
   42    H    GLY   7           H        GLY   7  -0.690  -8.391   1.985
   43   1HA   GLY   7          2HA       GLY   7  -1.245 -11.128   1.862
   44   2HA   GLY   7          1HA       GLY   7  -2.513 -10.454   2.883
   45    H    THR   8           H        THR   8  -2.200  -7.865   1.068
   46    HA   THR   8           HA       THR   8  -3.325  -8.883  -1.466
   47    HB   THR   8           HB       THR   8  -5.021  -7.192   0.387
   48    HG1  THR   8           1HG      THR   8  -4.990  -9.998  -0.009
   49   1HG2  THR   8          1HG2      THR   8  -6.738  -8.492  -1.210
   50   2HG2  THR   8          2HG2      THR   8  -5.338  -8.472  -2.282
   51   3HG2  THR   8          3HG2      THR   8  -6.007  -6.957  -1.674
   52    H    THR   9           H        THR   9  -4.225  -6.873  -2.751
   53    HA   THR   9           HA       THR   9  -2.190  -4.704  -2.499
   54    HB   THR   9           HB       THR   9  -2.234  -5.885  -4.611
   55    HG1  THR   9           1HG      THR   9  -2.289  -4.125  -5.785
   56   1HG2  THR   9          1HG2      THR   9  -4.263  -6.962  -4.830
   57   2HG2  THR   9          2HG2      THR   9  -4.541  -5.593  -5.907
   58   3HG2  THR   9          3HG2      THR   9  -5.183  -5.568  -4.265
   59    H    PHE  10           H        PHE  10  -2.972  -2.464  -2.961
   60    HA   PHE  10           HA       PHE  10  -5.771  -1.768  -2.915
   61   1HB   PHE  10          2HB       PHE  10  -5.920  -1.113  -0.553
   62   2HB   PHE  10          1HB       PHE  10  -5.467  -2.815  -0.663
   63    HD1  PHE  10           1HD      PHE  10  -2.839  -3.248  -0.832
   64    HD2  PHE  10           2HD      PHE  10  -4.646   0.270   0.842
   65    HE1  PHE  10           1HE      PHE  10  -0.762  -2.783   0.422
   66    HE2  PHE  10           2HE      PHE  10  -2.560   0.732   2.105
   67    HZ   PHE  10           HZ       PHE  10  -0.616  -0.801   1.892
   68    H    LYS  11           H        LYS  11  -6.020   0.639  -2.420
   69    HA   LYS  11           HA       LYS  11  -3.663   2.111  -3.469
   70   1HB   LYS  11          2HB       LYS  11  -5.695   2.592  -4.586
   71   2HB   LYS  11          1HB       LYS  11  -6.613   2.630  -3.081
   72   1HG   LYS  11          2HG       LYS  11  -4.508   4.594  -2.961
   73   2HG   LYS  11          1HG       LYS  11  -5.441   4.825  -4.440
   74   1HD   LYS  11          2HD       LYS  11  -7.378   5.333  -3.308
   75   2HD   LYS  11          1HD       LYS  11  -6.973   4.299  -1.938
   76   1HE   LYS  11          2HE       LYS  11  -5.289   5.940  -1.179
   77   2HE   LYS  11          1HE       LYS  11  -5.686   6.982  -2.560
   78   1HZ   LYS  11          1HZ       LYS  11  -6.930   7.454  -0.424
   79   2HZ   LYS  11          2HZ       LYS  11  -7.747   5.986  -0.680
   80   3HZ   LYS  11          3HZ       LYS  11  -7.883   7.246  -1.812
   81    H    ASP  12           H        ASP  12  -2.255   2.786  -1.876
   82    HA   ASP  12           HA       ASP  12  -3.219   3.355   0.849
   83   1HB   ASP  12          2HB       ASP  12  -1.084   2.123   0.156
   84   2HB   ASP  12          1HB       ASP  12  -0.447   3.706  -0.311
   85    H    LYS  13           H        LYS  13  -1.609   5.157  -1.781
   86    HA   LYS  13           HA       LYS  13  -2.495   7.690  -0.437
   87   1HB   LYS  13          2HB       LYS  13  -0.075   7.202  -2.224
   88   2HB   LYS  13          1HB       LYS  13  -0.438   8.688  -1.345
   89   1HG   LYS  13          2HG       LYS  13  -0.547   6.752   0.636
   90   2HG   LYS  13          1HG       LYS  13   0.787   6.207  -0.383
   91   1HD   LYS  13          2HD       LYS  13   1.775   8.489  -0.259
   92   2HD   LYS  13          1HD       LYS  13   0.477   8.966   0.837
   93   1HE   LYS  13          2HE       LYS  13   1.251   7.558   2.566
   94   2HE   LYS  13          1HE       LYS  13   2.213   6.569   1.451
   95   1HZ   LYS  13          1HZ       LYS  13   3.826   7.957   2.265
   96   2HZ   LYS  13          2HZ       LYS  13   2.760   9.260   2.491
   97   3HZ   LYS  13          3HZ       LYS  13   3.308   8.869   0.931
   98    H    CYS  14           H        CYS  14  -1.175   7.036  -3.662
   99    HA   CYS  14           HA       CYS  14  -3.637   8.240  -4.895
  100   1HB   CYS  14          2HB       CYS  14  -0.924   8.966  -4.725
  101   2HB   CYS  14          1HB       CYS  14  -1.167   8.463  -6.387
  102    H    ASN  15           H        ASN  15  -1.336   5.646  -4.834
  103    HA   ASN  15           HA       ASN  15  -2.582   4.435  -7.272
  104   1HB   ASN  15          2HB       ASN  15  -0.012   3.488  -7.276
  105   2HB   ASN  15          1HB       ASN  15  -0.526   4.920  -8.168
  106   1HD2  ASN  15          1HD2      ASN  15   0.572   6.827  -7.667
  107   2HD2  ASN  15          2HD2      ASN  15   1.519   7.064  -6.268
  108    H    THR  16           H        THR  16  -2.316   2.030  -7.311
  109    HA   THR  16           HA       THR  16  -3.171   0.760  -4.920
  110    HB   THR  16           HB       THR  16  -1.640  -0.795  -6.948
  111    HG1  THR  16           1HG      THR  16  -2.575   0.115  -8.570
  112   1HG2  THR  16          1HG2      THR  16  -4.521  -0.990  -6.048
  113   2HG2  THR  16          2HG2      THR  16  -3.186  -1.739  -5.174
  114   3HG2  THR  16          3HG2      THR  16  -3.550  -2.241  -6.825
  115    H    CYS  17           H        CYS  17  -1.847  -1.163  -3.958
  116    HA   CYS  17           HA       CYS  17   1.061  -0.885  -3.894
  117   1HB   CYS  17          2HB       CYS  17  -0.759   0.339  -1.861
  118   2HB   CYS  17          1HB       CYS  17   0.706  -0.442  -1.259
  119    H    ARG  18           H        ARG  18   1.345  -3.122  -4.061
  120    HA   ARG  18           HA       ARG  18  -0.376  -5.041  -2.711
  121   1HB   ARG  18          2HB       ARG  18   0.863  -5.457  -4.825
  122   2HB   ARG  18          1HB       ARG  18   2.386  -5.315  -3.945
  123   1HG   ARG  18          2HG       ARG  18   2.151  -7.586  -3.765
  124   2HG   ARG  18          1HG       ARG  18   1.142  -7.140  -2.392
  125   1HD   ARG  18          2HD       ARG  18  -0.873  -7.243  -3.799
  126   2HD   ARG  18          1HD       ARG  18   0.124  -7.638  -5.214
  127    HE   ARG  18           HE       ARG  18  -0.214  -9.397  -2.824
  128   1HH1  ARG  18          1HH2      ARG  18   1.554  -8.766  -5.670
  129   2HH1  ARG  18          2HH2      ARG  18   1.609 -10.419  -6.184
  130   1HH2  ARG  18          1HH1      ARG  18  -0.450 -11.555  -3.634
  131   2HH2  ARG  18          2HH1      ARG  18   0.472 -11.998  -5.033
  132    H    CYS  19           H        CYS  19  -0.394  -4.632  -0.571
  133    HA   CYS  19           HA       CYS  19   1.423  -3.978   1.336
  134   1HB   CYS  19          2HB       CYS  19  -0.850  -5.813   1.013
  135   2HB   CYS  19          1HB       CYS  19   0.166  -6.191   2.393
  136    H    GLY  20           H        GLY  20   3.607  -4.588   1.231
  137   1HA   GLY  20          2HA       GLY  20   4.795  -6.821   0.140
  138   2HA   GLY  20          1HA       GLY  20   5.436  -6.041   1.589
  139    H    SER  21           H        SER  21   5.777  -8.753   1.327
  140    HA   SER  21           HA       SER  21   3.631 -10.236   2.657
  141   1HB   SER  21          2HB       SER  21   5.469 -10.985   0.952
  142   2HB   SER  21          1HB       SER  21   6.509 -11.095   2.371
  143    HG   SER  21           HG       SER  21   4.850 -12.453   3.292
  144    H    ASP  22           H        ASP  22   6.126  -8.158   3.682
  145    HA   ASP  22           HA       ASP  22   6.267  -9.415   6.392
  146   1HB   ASP  22          2HB       ASP  22   7.910  -7.194   5.129
  147   2HB   ASP  22          1HB       ASP  22   8.283  -8.058   6.625
  148    H    GLY  23           H        GLY  23   4.762  -6.879   4.670
  149   1HA   GLY  23          2HA       GLY  23   3.121  -5.395   5.569
  150   2HA   GLY  23          1HA       GLY  23   3.722  -5.755   7.191
  151    H    LYS  24           H        LYS  24   6.254  -5.069   5.020
  152    HA   LYS  24           HA       LYS  24   6.220  -2.159   5.685
  153   1HB   LYS  24          2HB       LYS  24   7.937  -4.288   6.763
  154   2HB   LYS  24          1HB       LYS  24   8.843  -2.917   6.121
  155   1HG   LYS  24          2HG       LYS  24   7.520  -1.370   7.495
  156   2HG   LYS  24          1HG       LYS  24   6.571  -2.719   8.119
  157   1HD   LYS  24          2HD       LYS  24   8.109  -3.025   9.732
  158   2HD   LYS  24          1HD       LYS  24   9.305  -3.394   8.490
  159   1HE   LYS  24          2HE       LYS  24  10.270  -1.320   8.630
  160   2HE   LYS  24          1HE       LYS  24   8.709  -0.506   8.857
  161   1HZ   LYS  24          1HZ       LYS  24   8.600  -1.274  11.095
  162   2HZ   LYS  24          2HZ       LYS  24  10.125  -0.555  10.889
  163   3HZ   LYS  24          3HZ       LYS  24   9.976  -2.247  10.902
  164    H    SER  25           H        SER  25   5.809  -3.518   3.144
  165    HA   SER  25           HA       SER  25   7.732  -2.077   1.513
  166   1HB   SER  25          2HB       SER  25   7.964  -5.059   1.948
  167   2HB   SER  25          1HB       SER  25   8.583  -4.298   0.481
  168    HG   SER  25           HG       SER  25  10.255  -4.223   1.875
  169    H    ALA  26           H        ALA  26   6.052  -1.330   0.195
  170    HA   ALA  26           HA       ALA  26   4.263  -3.403  -1.020
  171   1HB   ALA  26          1HB       ALA  26   2.882  -1.211  -1.437
  172   2HB   ALA  26          2HB       ALA  26   3.953  -0.516  -0.220
  173   3HB   ALA  26          3HB       ALA  26   2.928  -1.892   0.190
  174    H    ALA  27           H        ALA  27   3.996  -3.354  -3.295
  175    HA   ALA  27           HA       ALA  27   6.209  -2.137  -4.792
  176   1HB   ALA  27          1HB       ALA  27   5.343  -4.447  -5.158
  177   2HB   ALA  27          2HB       ALA  27   5.246  -3.468  -6.622
  178   3HB   ALA  27          3HB       ALA  27   3.797  -3.761  -5.660
  179    H    CYS  28           H        CYS  28   2.663  -2.091  -5.107
  180    HA   CYS  28           HA       CYS  28   1.204  -0.355  -5.747
  181   1HB   CYS  28          2HB       CYS  28   3.633   1.447  -5.612
  182   2HB   CYS  28          1HB       CYS  28   1.945   1.876  -5.332
  183    H    THR  29           H        THR  29   0.514   0.273  -7.769
  184    HA   THR  29           HA       THR  29   1.976  -0.486 -10.109
  185    HB   THR  29           HB       THR  29   0.063   1.143 -11.051
  186    HG1  THR  29           1HG      THR  29  -1.535   1.415  -9.546
  187   1HG2  THR  29          1HG2      THR  29  -0.450  -1.010 -11.567
  188   2HG2  THR  29          2HG2      THR  29  -1.509  -0.915 -10.160
  189   3HG2  THR  29          3HG2      THR  29   0.102  -1.614 -10.004
  190    H    ARG  30           H        ARG  30   1.739   2.553  -8.343
  191    HA   ARG  30           HA       ARG  30   3.554   3.814 -10.374
  192   1HB   ARG  30          2HB       ARG  30   1.015   4.551  -9.592
  193   2HB   ARG  30          1HB       ARG  30   2.032   5.559  -8.557
  194   1HG   ARG  30          2HG       ARG  30   2.320   6.939 -10.314
  195   2HG   ARG  30          1HG       ARG  30   3.237   5.650 -11.095
  196   1HD   ARG  30          2HD       ARG  30   1.599   5.387 -12.633
  197   2HD   ARG  30          1HD       ARG  30   0.408   5.108 -11.347
  198    HE   ARG  30           HE       ARG  30   0.280   7.631 -11.132
  199   1HH1  ARG  30          1HH2      ARG  30   0.113   6.014 -14.035
  200   2HH1  ARG  30          2HH2      ARG  30   0.360   7.402 -15.040
  201   1HH2  ARG  30          1HH1      ARG  30   1.199   9.493 -12.404
  202   2HH2  ARG  30          2HH1      ARG  30   0.977   9.370 -14.118
  203    H    MET  31           H        MET  31   2.608   4.612  -7.035
  204    HA   MET  31           HA       MET  31   5.091   3.911  -5.795
  205   1HB   MET  31          2HB       MET  31   5.359   5.969  -7.577
  206   2HB   MET  31          1HB       MET  31   5.051   6.855  -6.083
  207   1HG   MET  31          2HG       MET  31   7.115   4.652  -6.308
  208   2HG   MET  31          1HG       MET  31   7.494   6.359  -6.534
  209   1HE   MET  31          1HE       MET  31   9.130   5.180  -3.551
  210   2HE   MET  31          2HE       MET  31   9.024   6.932  -3.707
  211   3HE   MET  31          3HE       MET  31   9.166   5.932  -5.151
  212    H    ALA  32           H        ALA  32   3.250   6.973  -5.568
  213    HA   ALA  32           HA       ALA  32   1.438   6.379  -3.522
  214   1HB   ALA  32          1HB       ALA  32   2.872   5.677  -1.893
  215   2HB   ALA  32          2HB       ALA  32   3.222   7.393  -1.680
  216   3HB   ALA  32          3HB       ALA  32   4.267   6.398  -2.694
  217    H    CYS  33           H        CYS  33   0.199   8.212  -3.532
  218    HA   CYS  33           HA       CYS  33   1.460  10.862  -3.291
  219   1HB   CYS  33          2HB       CYS  33   1.467  11.027  -5.513
  220   2HB   CYS  33          1HB       CYS  33   0.449   9.637  -5.744
  221    HA   PRO  34           HA       PRO  34  -2.303  11.680  -1.191
  222   1HB   PRO  34          2HB       PRO  34  -2.155  14.409  -1.155
  223   2HB   PRO  34          1HB       PRO  34  -1.080  13.368  -0.202
  224   1HG   PRO  34          2HG       PRO  34  -0.500  14.958  -2.583
  225   2HG   PRO  34          1HG       PRO  34   0.604  14.298  -1.373
  226   1HD   PRO  34          2HD       PRO  34   0.023  13.291  -3.988
  227   2HD   PRO  34          1HD       PRO  34   1.154  12.624  -2.797
  228    H    GLN  35           H        GLN  35  -3.198  10.941  -3.540
  229    HA   GLN  35           HA       GLN  35  -4.957  11.227  -5.098
  230   1HB   GLN  35          2HB       GLN  35  -5.505  12.673  -2.693
  231   2HB   GLN  35          1HB       GLN  35  -6.081  13.643  -4.049
  232   1HG   GLN  35          2HG       GLN  35  -7.927  12.281  -3.695
  233   2HG   GLN  35          1HG       GLN  35  -7.044  11.321  -4.881
  234   1HE2  GLN  35          1HE2      GLN  35  -7.875  11.550  -1.435
  235   2HE2  GLN  35          2HE2      GLN  35  -7.364   9.983  -1.031
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1   8.606   3.100   3.767
    2   2H    GLU   1          2HT       GLU   1   7.843   3.181   2.250
    3   3H    GLU   1          3HT       GLU   1   7.569   1.853   3.274
    4    HA   GLU   1           HA       GLU   1   6.769   3.772   4.904
    5   1HB   GLU   1          2HB       GLU   1   6.262   4.737   2.069
    6   2HB   GLU   1          1HB       GLU   1   5.723   5.536   3.548
    7   1HG   GLU   1          2HG       GLU   1   8.271   5.482   4.180
    8   2HG   GLU   1          1HG       GLU   1   8.505   5.286   2.443
    9    H    VAL   2           H        VAL   2   6.026   1.256   4.715
   10    HA   VAL   2           HA       VAL   2   3.298   1.257   3.463
   11    HB   VAL   2           HB       VAL   2   5.529  -0.736   3.649
   12   1HG1  VAL   2          1HG1      VAL   2   3.882  -2.085   4.682
   13   2HG1  VAL   2          2HG1      VAL   2   3.740  -2.488   2.971
   14   3HG1  VAL   2          3HG1      VAL   2   2.581  -1.387   3.716
   15   1HG2  VAL   2          1HG2      VAL   2   3.435  -0.295   1.509
   16   2HG2  VAL   2          2HG2      VAL   2   5.009  -1.073   1.338
   17   3HG2  VAL   2          3HG2      VAL   2   4.909   0.667   1.608
   18    H    THR   3           H        THR   3   1.687   1.179   4.959
   19    HA   THR   3           HA       THR   3   2.272  -0.084   7.620
   20    HB   THR   3           HB       THR   3   0.943   1.689   8.610
   21    HG1  THR   3           1HG      THR   3   0.599   2.978   6.170
   22   1HG2  THR   3          1HG2      THR   3   3.330   2.177   7.976
   23   2HG2  THR   3          2HG2      THR   3   2.308   3.610   8.086
   24   3HG2  THR   3          3HG2      THR   3   2.723   2.944   6.507
   25    H    CYS   4           H        CYS   4   0.991  -1.086   5.045
   26    HA   CYS   4           HA       CYS   4  -1.808  -1.547   5.958
   27   1HB   CYS   4          2HB       CYS   4  -2.123  -1.166   3.748
   28   2HB   CYS   4          1HB       CYS   4  -0.385  -1.156   3.470
   29    H    GLU   5           H        GLU   5  -2.497  -3.966   5.193
   30    HA   GLU   5           HA       GLU   5  -0.943  -5.780   6.881
   31   1HB   GLU   5          2HB       GLU   5  -3.389  -6.007   5.106
   32   2HB   GLU   5          1HB       GLU   5  -2.755  -7.372   6.026
   33   1HG   GLU   5          2HG       GLU   5  -4.440  -6.383   7.407
   34   2HG   GLU   5          1HG       GLU   5  -2.894  -5.876   8.090
   35    HA   PRO   6           HA       PRO   6   1.693  -7.265   3.703
   36   1HB   PRO   6          2HB       PRO   6   2.262  -9.744   4.738
   37   2HB   PRO   6          1HB       PRO   6   2.965  -8.240   5.366
   38   1HG   PRO   6          2HG       PRO   6   0.666  -9.831   6.400
   39   2HG   PRO   6          1HG       PRO   6   1.977  -9.034   7.289
   40   1HD   PRO   6          2HD       PRO   6  -0.498  -7.963   7.086
   41   2HD   PRO   6          1HD       PRO   6   0.973  -6.965   7.185
   42    H    GLY   7           H        GLY   7   0.796  -7.814   1.751
   43   1HA   GLY   7          2HA       GLY   7  -0.079  -9.321   0.133
   44   2HA   GLY   7          1HA       GLY   7  -0.449 -10.459   1.435
   45    H    THR   8           H        THR   8  -1.554  -7.451  -0.094
   46    HA   THR   8           HA       THR   8  -4.345  -8.245   0.330
   47    HB   THR   8           HB       THR   8  -3.288  -5.773   1.719
   48    HG1  THR   8           1HG      THR   8  -3.923  -7.357   3.552
   49   1HG2  THR   8          1HG2      THR   8  -5.580  -6.502   2.976
   50   2HG2  THR   8          2HG2      THR   8  -5.927  -7.061   1.339
   51   3HG2  THR   8          3HG2      THR   8  -5.531  -5.367   1.627
   52    H    THR   9           H        THR   9  -1.993  -6.064  -1.058
   53    HA   THR   9           HA       THR   9  -2.163  -4.346  -2.643
   54    HB   THR   9           HB       THR   9  -2.598  -6.425  -3.913
   55    HG1  THR   9           1HG      THR   9  -2.630  -4.427  -4.985
   56   1HG2  THR   9          1HG2      THR   9  -4.606  -7.247  -2.849
   57   2HG2  THR   9          2HG2      THR   9  -4.973  -6.936  -4.543
   58   3HG2  THR   9          3HG2      THR   9  -5.500  -5.800  -3.308
   59    H    PHE  10           H        PHE  10  -2.880  -2.389  -2.102
   60    HA   PHE  10           HA       PHE  10  -5.832  -1.961  -1.959
   61   1HB   PHE  10          2HB       PHE  10  -5.413  -0.659   0.149
   62   2HB   PHE  10          1HB       PHE  10  -5.044  -2.378   0.304
   63    HD1  PHE  10           1HD      PHE  10  -3.778   0.934   0.693
   64    HD2  PHE  10           2HD      PHE  10  -2.589  -3.094  -0.195
   65    HE1  PHE  10           1HE      PHE  10  -1.440   1.487   1.312
   66    HE2  PHE  10           2HE      PHE  10  -0.252  -2.543   0.421
   67    HZ   PHE  10           HZ       PHE  10   0.323  -0.254   1.175
   68    H    LYS  11           H        LYS  11  -6.405   0.343  -2.160
   69    HA   LYS  11           HA       LYS  11  -4.443   1.829  -3.839
   70   1HB   LYS  11          2HB       LYS  11  -6.819   1.246  -4.546
   71   2HB   LYS  11          1HB       LYS  11  -7.379   2.370  -3.307
   72   1HG   LYS  11          2HG       LYS  11  -6.451   4.236  -4.405
   73   2HG   LYS  11          1HG       LYS  11  -5.368   3.238  -5.378
   74   1HD   LYS  11          2HD       LYS  11  -6.958   2.833  -6.952
   75   2HD   LYS  11          1HD       LYS  11  -8.228   2.624  -5.744
   76   1HE   LYS  11          2HE       LYS  11  -8.997   4.657  -6.419
   77   2HE   LYS  11          1HE       LYS  11  -7.589   5.344  -5.586
   78   1HZ   LYS  11          1HZ       LYS  11  -6.458   4.458  -7.821
   79   2HZ   LYS  11          2HZ       LYS  11  -7.062   6.037  -7.655
   80   3HZ   LYS  11          3HZ       LYS  11  -7.996   4.844  -8.423
   81    H    ASP  12           H        ASP  12  -3.140   2.605  -1.999
   82    HA   ASP  12           HA       ASP  12  -4.544   4.517  -0.179
   83   1HB   ASP  12          2HB       ASP  12  -2.719   2.460   0.223
   84   2HB   ASP  12          1HB       ASP  12  -1.717   3.915   0.298
   85    H    LYS  13           H        LYS  13  -3.252   6.542   0.311
   86    HA   LYS  13           HA       LYS  13  -2.212   8.519  -0.461
   87   1HB   LYS  13          2HB       LYS  13  -0.605   6.510  -2.074
   88   2HB   LYS  13          1HB       LYS  13  -0.066   8.097  -1.514
   89   1HG   LYS  13          2HG       LYS  13  -1.061   6.345   0.635
   90   2HG   LYS  13          1HG       LYS  13   0.368   5.723  -0.190
   91   1HD   LYS  13          2HD       LYS  13   1.361   8.074   0.104
   92   2HD   LYS  13          1HD       LYS  13   0.045   8.364   1.241
   93   1HE   LYS  13          2HE       LYS  13   1.342   5.802   1.759
   94   2HE   LYS  13          1HE       LYS  13   2.485   7.156   1.862
   95   1HZ   LYS  13          1HZ       LYS  13  -0.191   7.075   3.154
   96   2HZ   LYS  13          2HZ       LYS  13   0.938   8.341   3.267
   97   3HZ   LYS  13          3HZ       LYS  13   1.283   6.826   3.957
   98    H    CYS  14           H        CYS  14  -1.179   7.397  -3.525
   99    HA   CYS  14           HA       CYS  14  -3.695   8.314  -4.831
  100   1HB   CYS  14          2HB       CYS  14  -2.499   9.911  -6.110
  101   2HB   CYS  14          1HB       CYS  14  -1.815  10.072  -4.492
  102    H    ASN  15           H        ASN  15  -2.162   5.689  -4.383
  103    HA   ASN  15           HA       ASN  15  -2.432   4.705  -7.157
  104   1HB   ASN  15          2HB       ASN  15  -0.073   3.772  -7.026
  105   2HB   ASN  15          1HB       ASN  15  -0.156   5.527  -7.127
  106   1HD2  ASN  15          1HD2      ASN  15   1.398   6.393  -5.772
  107   2HD2  ASN  15          2HD2      ASN  15   1.743   5.839  -4.197
  108    H    THR  16           H        THR  16  -0.994   2.230  -6.555
  109    HA   THR  16           HA       THR  16  -2.836   1.081  -4.483
  110    HB   THR  16           HB       THR  16  -1.584  -0.604  -6.596
  111    HG1  THR  16           1HG      THR  16  -3.479   1.437  -7.070
  112   1HG2  THR  16          1HG2      THR  16  -3.746  -0.734  -4.766
  113   2HG2  THR  16          2HG2      THR  16  -3.245  -1.957  -5.935
  114   3HG2  THR  16          3HG2      THR  16  -4.443  -0.743  -6.386
  115    H    CYS  17           H        CYS  17  -1.647  -1.399  -4.194
  116    HA   CYS  17           HA       CYS  17   1.165  -1.556  -3.966
  117   1HB   CYS  17          2HB       CYS  17   0.102   0.394  -2.268
  118   2HB   CYS  17          1HB       CYS  17   0.362  -0.999  -1.214
  119    H    ARG  18           H        ARG  18   0.987  -3.756  -4.199
  120    HA   ARG  18           HA       ARG  18  -0.928  -5.545  -3.208
  121   1HB   ARG  18          2HB       ARG  18   1.342  -5.619  -4.695
  122   2HB   ARG  18          1HB       ARG  18   1.896  -6.430  -3.228
  123   1HG   ARG  18          2HG       ARG  18  -0.444  -7.183  -4.978
  124   2HG   ARG  18          1HG       ARG  18   1.007  -8.128  -4.655
  125   1HD   ARG  18          2HD       ARG  18   0.363  -8.409  -2.314
  126   2HD   ARG  18          1HD       ARG  18  -1.050  -7.362  -2.556
  127    HE   ARG  18           HE       ARG  18  -0.798  -9.722  -4.335
  128   1HH1  ARG  18          1HH1      ARG  18  -1.481 -10.070  -1.277
  129   2HH1  ARG  18          2HH1      ARG  18  -3.199 -10.254  -1.394
  130   1HH2  ARG  18          1HH2      ARG  18  -3.363  -9.123  -4.668
  131   2HH2  ARG  18          2HH2      ARG  18  -4.265  -9.718  -3.315
  132    H    CYS  19           H        CYS  19   1.834  -4.167  -1.566
  133    HA   CYS  19           HA       CYS  19   2.339  -4.098   0.758
  134   1HB   CYS  19          2HB       CYS  19  -0.388  -4.700   0.621
  135   2HB   CYS  19          1HB       CYS  19   0.284  -5.992   1.620
  136    H    GLY  20           H        GLY  20   4.262  -5.291   0.337
  137   1HA   GLY  20          2HA       GLY  20   4.618  -7.972  -0.233
  138   2HA   GLY  20          1HA       GLY  20   5.720  -7.079   0.820
  139    H    SER  21           H        SER  21   5.384  -9.726   1.367
  140    HA   SER  21           HA       SER  21   3.235 -10.234   3.262
  141   1HB   SER  21          2HB       SER  21   5.855 -11.651   2.688
  142   2HB   SER  21          1HB       SER  21   4.505 -12.336   3.589
  143    HG   SER  21           HG       SER  21   3.489 -12.680   1.774
  144    H    ASP  22           H        ASP  22   6.126  -8.483   3.461
  145    HA   ASP  22           HA       ASP  22   6.790  -9.142   6.244
  146   1HB   ASP  22          2HB       ASP  22   8.412  -7.232   5.857
  147   2HB   ASP  22          1HB       ASP  22   8.539  -8.551   4.686
  148    H    GLY  23           H        GLY  23   4.521  -7.096   4.702
  149   1HA   GLY  23          2HA       GLY  23   2.946  -5.640   5.678
  150   2HA   GLY  23          1HA       GLY  23   3.664  -5.998   7.251
  151    H    LYS  24           H        LYS  24   6.166  -5.082   5.241
  152    HA   LYS  24           HA       LYS  24   5.795  -2.167   5.784
  153   1HB   LYS  24          2HB       LYS  24   7.764  -2.049   7.070
  154   2HB   LYS  24          1HB       LYS  24   7.044  -3.567   7.601
  155   1HG   LYS  24          2HG       LYS  24   9.018  -4.534   7.077
  156   2HG   LYS  24          1HG       LYS  24   8.568  -4.302   5.388
  157   1HD   LYS  24          2HD       LYS  24  10.684  -3.260   5.560
  158   2HD   LYS  24          1HD       LYS  24   9.542  -1.921   5.660
  159   1HE   LYS  24          2HE       LYS  24   9.898  -1.608   7.948
  160   2HE   LYS  24          1HE       LYS  24  10.447  -3.279   8.191
  161   1HZ   LYS  24          1HZ       LYS  24  11.885  -1.304   6.505
  162   2HZ   LYS  24          2HZ       LYS  24  12.429  -2.841   6.979
  163   3HZ   LYS  24          3HZ       LYS  24  12.277  -1.599   8.127
  164    H    SER  25           H        SER  25   5.997  -4.093   3.374
  165    HA   SER  25           HA       SER  25   7.717  -2.329   1.754
  166   1HB   SER  25          2HB       SER  25   8.267  -5.295   2.124
  167   2HB   SER  25          1HB       SER  25   9.121  -4.233   1.004
  168    HG   SER  25           HG       SER  25   9.373  -2.946   3.138
  169    H    ALA  26           H        ALA  26   6.536  -2.034  -0.099
  170    HA   ALA  26           HA       ALA  26   4.920  -4.344  -1.111
  171   1HB   ALA  26          1HB       ALA  26   3.095  -2.700  -1.491
  172   2HB   ALA  26          2HB       ALA  26   4.102  -1.446  -0.765
  173   3HB   ALA  26          3HB       ALA  26   3.542  -2.802   0.211
  174    H    ALA  27           H        ALA  27   4.020  -3.687  -3.386
  175    HA   ALA  27           HA       ALA  27   6.338  -2.830  -5.029
  176   1HB   ALA  27          1HB       ALA  27   3.900  -4.479  -5.264
  177   2HB   ALA  27          2HB       ALA  27   5.466  -4.680  -6.050
  178   3HB   ALA  27          3HB       ALA  27   4.285  -3.550  -6.711
  179    H    CYS  28           H        CYS  28   2.894  -2.089  -4.616
  180    HA   CYS  28           HA       CYS  28   1.693  -0.118  -5.021
  181   1HB   CYS  28          2HB       CYS  28   4.478   0.627  -4.430
  182   2HB   CYS  28          1HB       CYS  28   3.601   1.852  -5.351
  183    H    THR  29           H        THR  29   0.763   0.584  -6.924
  184    HA   THR  29           HA       THR  29   1.788  -0.198  -9.477
  185    HB   THR  29           HB       THR  29   0.030   1.755 -10.063
  186    HG1  THR  29           1HG      THR  29  -1.128   2.351  -8.393
  187   1HG2  THR  29          1HG2      THR  29  -1.125  -0.094 -10.591
  188   2HG2  THR  29          2HG2      THR  29  -1.539  -0.322  -8.891
  189   3HG2  THR  29          3HG2      THR  29  -0.074  -1.052  -9.548
  190    H    ARG  30           H        ARG  30   2.322   2.614  -7.493
  191    HA   ARG  30           HA       ARG  30   3.920   4.349  -7.744
  192   1HB   ARG  30          2HB       ARG  30   4.974   2.290  -9.086
  193   2HB   ARG  30          1HB       ARG  30   4.626   3.331 -10.471
  194   1HG   ARG  30          2HG       ARG  30   6.493   4.498 -10.014
  195   2HG   ARG  30          1HG       ARG  30   5.771   4.993  -8.483
  196   1HD   ARG  30          2HD       ARG  30   6.987   3.471  -7.268
  197   2HD   ARG  30          1HD       ARG  30   6.914   2.244  -8.551
  198    HE   ARG  30           HE       ARG  30   8.451   4.328  -9.612
  199   1HH1  ARG  30          1HH1      ARG  30   8.863   1.422  -8.078
  200   2HH1  ARG  30          2HH1      ARG  30  10.442   1.754  -7.447
  201   1HH2  ARG  30          1HH2      ARG  30  10.364   5.117  -8.284
  202   2HH2  ARG  30          2HH2      ARG  30  11.291   3.844  -7.564
  203    H    MET  31           H        MET  31   2.723   6.202  -8.042
  204    HA   MET  31           HA       MET  31   1.869   6.841 -10.836
  205   1HB   MET  31          2HB       MET  31   0.144   5.967  -8.958
  206   2HB   MET  31          1HB       MET  31   0.142   7.682  -8.556
  207   1HG   MET  31          2HG       MET  31  -0.227   6.714 -11.393
  208   2HG   MET  31          1HG       MET  31  -1.589   6.912 -10.289
  209   1HE   MET  31          1HE       MET  31  -1.527  10.546  -9.261
  210   2HE   MET  31          2HE       MET  31  -0.172   9.640  -8.591
  211   3HE   MET  31          3HE       MET  31  -1.743   8.861  -8.762
  212    H    ALA  32           H        ALA  32   1.491   8.541  -7.705
  213    HA   ALA  32           HA       ALA  32   3.626  10.340  -7.746
  214   1HB   ALA  32          1HB       ALA  32   1.907  12.164  -8.995
  215   2HB   ALA  32          2HB       ALA  32   1.764  10.697  -9.965
  216   3HB   ALA  32          3HB       ALA  32   3.346  11.437  -9.711
  217    H    CYS  33           H        CYS  33   2.870  10.098  -5.470
  218    HA   CYS  33           HA       CYS  33   0.360  11.593  -4.870
  219   1HB   CYS  33          2HB       CYS  33   2.009  10.006  -2.904
  220   2HB   CYS  33          1HB       CYS  33   0.272  10.313  -2.886
  221    HA   PRO  34           HA       PRO  34   3.212  14.832  -3.625
  222   1HB   PRO  34          2HB       PRO  34   1.282  16.732  -3.239
  223   2HB   PRO  34          1HB       PRO  34   1.912  16.309  -4.844
  224   1HG   PRO  34          2HG       PRO  34  -0.621  15.481  -3.526
  225   2HG   PRO  34          1HG       PRO  34  -0.306  15.875  -5.222
  226   1HD   PRO  34          2HD       PRO  34  -0.534  13.321  -4.270
  227   2HD   PRO  34          1HD       PRO  34   0.404  13.761  -5.717
  228    H    GLN  35           H        GLN  35   0.157  14.064  -1.978
  229    HA   GLN  35           HA       GLN  35   0.674  15.289   0.531
  230   1HB   GLN  35          2HB       GLN  35  -1.219  13.583  -0.703
  231   2HB   GLN  35          1HB       GLN  35  -0.714  12.765   0.776
  232   1HG   GLN  35          2HG       GLN  35  -1.739  14.290   2.101
  233   2HG   GLN  35          1HG       GLN  35  -1.153  15.646   1.136
  234   1HE2  GLN  35          1HE2      GLN  35  -3.093  12.909  -0.101
  235   2HE2  GLN  35          2HE2      GLN  35  -4.444  13.849  -0.523