*HEADER    HYDROLASE                               28-NOV-01   1KGM              
*TITLE     SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR             
*TITLE    2 SGCI                                                                 
*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                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID-PHASE SYNTHESIS, FMOC STRATEGY,                 
*SOURCE   4 SEQUENCE NATURALLY FOUND IN SCHISTOCERCA GREGARIA (DESERT            
*SOURCE   5 LOCUST)                                                              
*KEYWDS    PROTEINASE INHIBITOR, SGCI                                            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Z.GASPARI, A.PATTHY, L.GRAF, A.PERCZEL                                
*REVDAT   1   12-DEC-01 1KGM    0                                                


assign (resid    2 and (name HG1#  or name HG2# ))(resid   25 and name HN    ) 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 HA    ) 1.8 0.0 1.7
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    2 and name HA    ) 1.8 0.0 3.2 
assign (resid    2 and name HG1#  )(resid    2 and name HB    ) 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   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   26 and name HB#   ) 1.8 0.0 1.7
assign (resid    2 and name HG1#  )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid    2 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HG2#  )(resid    2 and name HB    ) 1.8 0.0 1.7
assign (resid    2 and name HG2#  )(resid    3 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   26 and name HB#   ) 1.8 0.0 1.7
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 1.7
assign (resid    2 and name HN    )(resid    2 and name HB    ) 1.8 0.0 1.7
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 1.7
assign (resid    3 and name HB    )(resid    3 and name HA    ) 1.8 0.0 1.7
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 1.7
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 HN    ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid   24 and name HA    ) 1.8 0.0 3.2
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 0.7
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 3.2 
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 1.7
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 HD1   ) 1.8 0.0 3.2 
assign (resid    5 and name HA    )(resid    6 and name HD2   ) 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 HG1   )(resid    5 and name HA    ) 1.8 0.0 3.2
assign (resid    5 and name HG2   )(resid    5 and name HA    ) 1.8 0.0 1.7
assign (resid    5 and name HN    )(resid    5 and name HA    ) 1.8 0.0 1.7
assign (resid    5 and name HN    )(resid    6 and name HD1   ) 1.8 0.0 3.2
assign (resid    5 and name HN    )(resid    6 and name HD2   ) 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 HA    )(resid    6 and name HD2   ) 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    6 and name HA    ) 1.8 0.0 1.7
assign (resid    6 and name HB1   )(resid    6 and name HD2   ) 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 1.7 
assign (resid    6 and name HB1   )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid    6 and name HB2   )(resid    6 and name HA    ) 1.8 0.0 1.7
assign (resid    6 and name HB2   )(resid    6 and name HD2   ) 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 0.7
assign (resid    6 and name HD1   )(resid   23 and name HN    ) 1.8 0.0 3.2
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 HD2   ) 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 HD2   ) 1.8 0.0 1.7
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 0.7
assign (resid    7 and name HA1   )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HA2   )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid    7 and name HA1   ) 1.8 0.0 1.7
assign (resid    7 and name HN    )(resid    7 and name HA2   ) 1.8 0.0 1.7
assign (resid    7 and name HN    )(resid    8 and name HN    ) 1.8 0.0 1.7
assign (resid    7 and name HN    )(resid   18 and name HD#   ) 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    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 HA    )(resid    9 and name HN    ) 1.8 0.0 1.7
assign (resid    8 and name HB    )(resid    8 and name HA    ) 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 HB    )(resid   19 and (name HB1 or name HB2)) 1.8 0.0 3.2
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    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    8 and name HA    ) 1.8 0.0 1.7
assign (resid    8 and name HN    )(resid    8 and name HB    ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid    8 and name HG2#  ) 1.8 0.0 3.2 
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   18 and name HD#   ) 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   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 1.7
assign (resid    9 and name HA    )(resid   18 and name HB2   ) 1.8 0.0 3.2 
assign (resid    9 and name HA    )(resid   18 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   19 and name HA    ) 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 HA    ) 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 HA    ) 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 HG2#  )(resid   19 and name HN    ) 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    9 and name HG2#  ) 1.8 0.0 3.2
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   11 and name HN    ) 1.8 0.0 1.7
assign (resid   10 and name HB#   )(resid   10 and name HA    ) 1.8 0.0 1.7
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   10 and name HB#   ) 1.8 0.0 3.85 
assign (resid   10 and name HD#   )(resid   10 and name HN    ) 1.8 0.0 3.85 
assign (resid   10 and name HD#   )(resid   26 and name HB#   ) 1.8 0.0 5.35 
assign (resid   10 and name HD#   )(resid   11 and name HB2   ) 1.8 0.0 4.2 
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   10 and name HA    ) 1.8 0.0 1.7
assign (resid   10 and name HN    )(resid   10 and name HB#   ) 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 HG2#  ) 1.8 0.0 1.7
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 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   26 and name HB#   ) 1.8 0.0 1.7 
assign (resid   11 and name HB1   )(resid   12 and name HA    ) 1.8 0.0 3.2 
assign (resid   11 and name HA    )(resid   12 and name HN    ) 1.8 0.0 1.7
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   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   12 and name HN    ) 1.8 0.0 3.2
assign (resid   11 and name HD#   )(resid   11 and name HA    ) 1.8 0.0 3.2
assign (resid   11 and name HG1   )(resid   11 and name HA    ) 1.8 0.0 3.2
assign (resid   11 and name HG2   )(resid   11 and name HA    ) 1.8 0.0 3.2 
assign (resid   11 and name HN    )(resid   11 and name HA    ) 1.8 0.0 1.7
assign (resid   11 and name HN    )(resid   11 and name HB1   ) 1.8 0.0 1.7
assign (resid   11 and name HN    )(resid   11 and name HB2   ) 1.8 0.0 1.7
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   12 and name HA    )(resid   13 and name HA    ) 1.8 0.0 3.2
assign (resid   12 and name HA    )(resid   13 and name HG1   ) 1.8 0.0 3.2
assign (resid   12 and name HA    )(resid   13 and name HG2   ) 1.8 0.0 3.2
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 0.7
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 1.7
assign (resid   12 and name HB2   )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   12 and name HN    )(resid   12 and name HA    ) 1.8 0.0 1.7
assign (resid   12 and name HN    )(resid   12 and name HB1   ) 1.8 0.0 1.7
assign (resid   12 and name HN    )(resid   12 and name HB2   ) 1.8 0.0 1.7
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   14 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HA    )(resid   15 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 0.7
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 HB2   )(resid   13 and name HA    ) 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 HG1   )(resid   13 and name HA    ) 1.8 0.0 1.7
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   14 and name HN    ) 1.8 0.0 3.2
assign (resid   13 and name HN    )(resid   13 and name HA    ) 1.8 0.0 1.7
assign (resid   13 and name HN    )(resid   13 and name HB1   ) 1.8 0.0 3.2
assign (resid   13 and name HN    )(resid   13 and name HB2   ) 1.8 0.0 3.2
assign (resid   13 and name HN    )(resid   13 and name HG1   ) 1.8 0.0 3.2
assign (resid   13 and name HN    )(resid   13 and name HG2   ) 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 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 0.7
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 HB1   )(resid   34 and name HD2   ) 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 HB2   )(resid   34 and name HD2   ) 1.8 0.0 3.2 
assign (resid   14 and name HN    )(resid   14 and name HA    ) 1.8 0.0 1.7
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 HB2   ) 1.8 0.0 3.2 
assign (resid   14 and name HN    )(resid   15 and name HN    ) 1.8 0.0 1.7
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 HA    )(resid   16 and name HN    ) 1.8 0.0 1.7
assign (resid   15 and name HA    )(resid   29 and name HG2#  ) 1.8 0.0 3.2
assign (resid   15 and name HB1   )(resid   15 and name HA    ) 1.8 0.0 1.7
assign (resid   15 and name HB1   )(resid   16 and name HN    ) 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 HB2   )(resid   15 and name HA    ) 1.8 0.0 1.7
assign (resid   15 and name HB2   )(resid   16 and name HN    ) 1.8 0.0 1.7
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 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   31 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   31 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   15 and name HN    )(resid   16 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HA    )(resid   17 and name HB1   ) 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 HA    ) 1.8 0.0 1.7
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   16 and name HA    ) 1.8 0.0 1.7
assign (resid   16 and name HG2#  )(resid   16 and name HB    ) 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 HA    ) 1.8 0.0 1.7
assign (resid   16 and name HN    )(resid   16 and name HB    ) 1.8 0.0 1.7
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 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   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 HB1   )(resid   28 and name HA    ) 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   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   17 and name HB1   ) 1.8 0.0 3.2 
assign (resid   17 and name HN    )(resid   17 and name HB2   ) 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   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 1.7
assign (resid   18 and name HB1   )(resid   18 and name HD#   ) 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 1.7
assign (resid   18 and name HB2   )(resid   18 and name HD#   ) 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 1.7
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 1.7
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 1.7
assign (resid   18 and name HN    )(resid   18 and name HB1   ) 1.8 0.0 1.7
assign (resid   18 and name HN    )(resid   18 and name HB2   ) 1.8 0.0 1.7
assign (resid   18 and name HN    )(resid   18 and name HD#   ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   18 and name HG1   ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   18 and name HG2   ) 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 1.7
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 0.7
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   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   19 and name HB1   ) 1.8 0.0 1.7 
assign (resid   19 and name HN    )(resid   19 and name HB2   ) 1.8 0.0 1.7 
assign (resid   19 and name HN    )(resid   20 and name HN    ) 1.8 0.0 3.2
assign (resid   20 and name HA1   )(resid   20 and name HA2   ) 1.8 0.0 0.7
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   21 and name HN    ) 1.8 0.0 1.7
assign (resid   20 and name HN    )(resid   20 and name HA1   ) 1.8 0.0 1.7
assign (resid   20 and name HN    )(resid   20 and name HA2   ) 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   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 1.7
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   22 and name HA    ) 1.8 0.0 3.2
assign (resid   21 and name HA    )(resid   22 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   21 and name HA    ) 1.8 0.0 1.7
assign (resid   21 and name HB#   )(resid   22 and name HN    ) 1.8 0.0 1.7
assign (resid   21 and name HN    )(resid   21 and name HA    ) 1.8 0.0 1.7
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   23 and name HN    ) 1.8 0.0 3.2
assign (resid   22 and name HB1   )(resid   22 and name HA    ) 1.8 0.0 1.7
assign (resid   22 and name HB1   )(resid   22 and name HB2   ) 1.8 0.0 0.7
assign (resid   22 and name HB1   )(resid   23 and name HN    ) 1.8 0.0 3.2 
assign (resid   22 and name HB2   )(resid   22 and name HA    ) 1.8 0.0 1.7
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 1.7
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   22 and name HN    )(resid   23 and name HA1   ) 1.8 0.0 3.2
assign (resid   22 and name HN    )(resid   23 and name HA2   ) 1.8 0.0 3.2
assign (resid   22 and name HN    )(resid   23 and name HN    ) 1.8 0.0 3.2 
assign (resid   23 and name HA1   )(resid   23 and name HA2   ) 1.8 0.0 0.7
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   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 1.7
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 1.7
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 HG1   )(resid   24 and name HA    ) 1.8 0.0 3.2 
assign (resid   24 and name HG2   )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HN    )(resid   24 and name HA    ) 1.8 0.0 1.7
assign (resid   24 and name HN    )(resid   24 and name HB1   ) 1.8 0.0 3.2 
assign (resid   24 and name HN    )(resid   24 and name HB2   ) 1.8 0.0 3.2
assign (resid   24 and name HN    )(resid   24 and name HE#   ) 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   26 and name HB#   ) 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 HA    ) 1.8 0.0 1.7
assign (resid   25 and name HB1   )(resid   25 and name HB2   ) 1.8 0.0 0.7
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 1.7
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   25 and name HA    ) 1.8 0.0 1.7
assign (resid   25 and name HN    )(resid   25 and name HB1   ) 1.8 0.0 3.2
assign (resid   25 and name HN    )(resid   25 and name HB2   ) 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   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 HN    )(resid   26 and name HA    ) 1.8 0.0 1.7
assign (resid   26 and name HN    )(resid   26 and name HB#   ) 1.8 0.0 1.7
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   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   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   27 and name HA    ) 1.8 0.0 1.7
assign (resid   27 and name HN    )(resid   27 and name HB#   ) 1.8 0.0 1.7
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 1.7
assign (resid   28 and name HB1   )(resid   29 and name HN    ) 1.8 0.0 3.2 
assign (resid   28 and name HB1   )(resid   30 and name HD1#  ) 1.8 0.0 3.2
assign (resid   28 and name HB1   )(resid   30 and name HD2#  ) 1.8 0.0 3.2
assign (resid   28 and name HB2   )(resid   28 and name HA    ) 1.8 0.0 1.7
assign (resid   28 and name HB2   )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   28 and name HB2   )(resid   30 and name HD1#  ) 1.8 0.0 3.2
assign (resid   28 and name HB2   )(resid   30 and name HD2#  ) 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   28 and name HN    )(resid   28 and name HB1   ) 1.8 0.0 3.2
assign (resid   28 and name HN    )(resid   28 and name HB2   ) 1.8 0.0 3.2 
assign (resid   29 and name HA    )(resid   29 and name HB    ) 1.8 0.0 1.7
assign (resid   29 and name HA    )(resid   30 and name HN    ) 1.8 0.0 3.2 
assign (resid   29 and name HG2#  )(resid   29 and name HA    ) 1.8 0.0 3.2 
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 HG2#  ) 1.8 0.0 1.7
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 1.7
assign (resid   30 and name HB2   )(resid   30 and name HA    ) 1.8 0.0 1.7
assign (resid   30 and name HD1#  )(resid   30 and name HA    ) 1.8 0.0 3.2 
assign (resid   30 and name HD1#  )(resid   30 and name HB1   ) 1.8 0.0 3.2
assign (resid   30 and name HD1#  )(resid   30 and name HB2   ) 1.8 0.0 1.7
assign (resid   30 and name HD1#  )(resid   30 and name HG    ) 1.8 0.0 1.7
assign (resid   30 and name HD2#  )(resid   30 and name HA    ) 1.8 0.0 3.2
assign (resid   30 and name HD2#  )(resid   30 and name HB1   ) 1.8 0.0 1.7
assign (resid   30 and name HD2#  )(resid   30 and name HB2   ) 1.8 0.0 3.2
assign (resid   30 and name HD2#  )(resid   30 and name HG    ) 1.8 0.0 1.7
assign (resid   30 and name HG    )(resid   30 and name HA    ) 1.8 0.0 3.2
assign (resid   30 and name HN    )(resid   30 and name HA    ) 1.8 0.0 1.7
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   30 and name HD1#  ) 1.8 0.0 3.2
assign (resid   30 and name HN    )(resid   30 and name HD2#  ) 1.8 0.0 3.2
assign (resid   30 and name HN    )(resid   30 and name HG    ) 1.8 0.0 1.7
assign (resid   30 and name HN    )(resid   31 and name HE#   ) 1.8 0.0 3.2
assign (resid   31 and name HA    )(resid   32 and name HN    ) 1.8 0.0 3.2 
assign (resid   31 and name HB1   )(resid   31 and name HA    ) 1.8 0.0 1.7
assign (resid   31 and name HB2   )(resid   31 and name HA    ) 1.8 0.0 1.7
assign (resid   31 and name HG1   )(resid   31 and name HA    ) 1.8 0.0 3.2
assign (resid   31 and name HG2   )(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 1.7
assign (resid   31 and name HN    )(resid   31 and name HB2   ) 1.8 0.0 1.7
assign (resid   32 and name HA    )(resid   33 and name HB2   ) 1.8 0.0 3.2
assign (resid   32 and name HA    )(resid   33 and name HN    ) 1.8 0.0 1.7
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 HB#   )(resid   33 and name HN    ) 1.8 0.0 1.7
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   34 and name HD1   ) 1.8 0.0 1.7
assign (resid   33 and name HA    )(resid   34 and name HD2   ) 1.8 0.0 1.7
assign (resid   33 and name HA    )(resid   34 and name HG#   ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   33 and name HA    ) 1.8 0.0 1.7
assign (resid   33 and name HB1   )(resid   33 and name HB2   ) 1.8 0.0 0.7
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 1.7
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   33 and name HA    ) 1.8 0.0 1.7
assign (resid   33 and name HN    )(resid   33 and name HB1   ) 1.8 0.0 3.2
assign (resid   33 and name HN    )(resid   33 and name HB2   ) 1.8 0.0 3.2 
assign (resid   33 and name HN    )(resid   34 and name HD1   ) 1.8 0.0 3.2
assign (resid   33 and name HN    )(resid   34 and 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 1.7
assign (resid   34 and name HB1   )(resid   34 and name HD1   ) 1.8 0.0 3.2
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 1.7
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 HA    ) 1.8 0.0 3.2
assign (resid   34 and name HD1   )(resid   35 and name HN    ) 1.8 0.0 3.2
assign (resid   34 and name HD2   )(resid   34 and name HA    ) 1.8 0.0 3.2
assign (resid   34 and name HD2   )(resid   34 and name HD1   ) 1.8 0.0 0.7
assign (resid   34 and name HD2   )(resid   35 and name HN    ) 1.8 0.0 3.2
assign (resid   34 and name HG#   )(resid   34 and name HA    ) 1.8 0.0 3.2
assign (resid   34 and name HG#   )(resid   34 and name HD1   ) 1.8 0.0 1.7
assign (resid   34 and name HG#   )(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 HN    )(resid   35 and name HB1   ) 1.8 0.0 3.2
assign (resid   35 and name HN    )(resid   35 and name HB2   ) 1.8 0.0 3.2
assign (resid   35 and name HN    )(resid   35 and name HG#   ) 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   7.859  -0.265   9.996
    2   2H    GLU   1          2HT       GLU   1   7.651   0.957   8.833
    3   3H    GLU   1          3HT       GLU   1   6.660  -0.424   8.806
    4    HA   GLU   1           HA       GLU   1   5.878   0.280  11.112
    5   1HB   GLU   1          2HB       GLU   1   7.404   2.685  10.073
    6   2HB   GLU   1          1HB       GLU   1   6.252   2.781  11.405
    7   1HG   GLU   1          2HG       GLU   1   7.604   0.895  12.502
    8   2HG   GLU   1          1HG       GLU   1   8.844   1.233  11.295
    9    H    VAL   2           H        VAL   2   4.108  -0.388   9.607
   10    HA   VAL   2           HA       VAL   2   3.012   1.843   7.944
   11    HB   VAL   2           HB       VAL   2   2.266  -1.095   8.050
   12   1HG1  VAL   2          1HG1      VAL   2   0.620   0.539   7.052
   13   2HG1  VAL   2          2HG1      VAL   2   1.209  -0.672   5.916
   14   3HG1  VAL   2          3HG1      VAL   2   1.853   0.967   5.868
   15   1HG2  VAL   2          1HG2      VAL   2   3.629  -0.999   5.807
   16   2HG2  VAL   2          2HG2      VAL   2   4.494  -1.166   7.335
   17   3HG2  VAL   2          3HG2      VAL   2   4.393   0.409   6.545
   18    H    THR   3           H        THR   3   0.671   2.221   8.068
   19    HA   THR   3           HA       THR   3  -0.601   1.366  10.642
   20    HB   THR   3           HB       THR   3   0.293   3.581  10.986
   21    HG1  THR   3           1HG      THR   3  -1.748   4.825  10.936
   22   1HG2  THR   3          1HG2      THR   3   0.812   4.271   8.767
   23   2HG2  THR   3          2HG2      THR   3  -0.393   5.420   9.345
   24   3HG2  THR   3          3HG2      THR   3  -0.867   4.123   8.250
   25    H    CYS   4           H        CYS   4  -1.713  -0.150   9.085
   26    HA   CYS   4           HA       CYS   4  -4.211   1.043   8.088
   27   1HB   CYS   4          2HB       CYS   4  -3.739   0.265   5.749
   28   2HB   CYS   4          1HB       CYS   4  -2.632   1.534   6.283
   29    H    GLU   5           H        GLU   5  -5.593  -0.741   7.067
   30    HA   GLU   5           HA       GLU   5  -5.212  -3.267   8.590
   31   1HB   GLU   5          2HB       GLU   5  -7.379  -1.583   7.827
   32   2HB   GLU   5          1HB       GLU   5  -7.611  -3.123   6.999
   33   1HG   GLU   5          2HG       GLU   5  -7.855  -4.306   8.965
   34   2HG   GLU   5          1HG       GLU   5  -6.818  -3.209   9.877
   35    HA   PRO   6           HA       PRO   6  -3.964  -5.460   5.000
   36   1HB   PRO   6          2HB       PRO   6  -5.021  -7.936   5.513
   37   2HB   PRO   6          1HB       PRO   6  -3.607  -7.288   6.368
   38   1HG   PRO   6          2HG       PRO   6  -6.441  -7.438   7.249
   39   2HG   PRO   6          1HG       PRO   6  -4.955  -7.680   8.177
   40   1HD   PRO   6          2HD       PRO   6  -6.433  -5.383   8.259
   41   2HD   PRO   6          1HD       PRO   6  -4.684  -5.441   8.574
   42    H    GLY   7           H        GLY   7  -4.943  -4.941   3.082
   43   1HA   GLY   7          2HA       GLY   7  -6.502  -5.631   1.325
   44   2HA   GLY   7          1HA       GLY   7  -7.682  -6.011   2.584
   45    H    THR   8           H        THR   8  -5.687  -3.092   2.053
   46    HA   THR   8           HA       THR   8  -8.111  -1.513   1.435
   47    HB   THR   8           HB       THR   8  -6.415  -0.663   3.766
   48    HG1  THR   8           1HG      THR   8  -8.301  -1.794   4.913
   49   1HG2  THR   8          1HG2      THR   8  -9.223  -0.253   4.072
   50   2HG2  THR   8          2HG2      THR   8  -8.778   0.239   2.439
   51   3HG2  THR   8          3HG2      THR   8  -7.965   0.959   3.827
   52    H    THR   9           H        THR   9  -4.611  -1.620   1.960
   53    HA   THR   9           HA       THR   9  -2.876  -0.219   1.166
   54    HB   THR   9           HB       THR   9  -3.781  -1.609  -0.767
   55    HG1  THR   9           1HG      THR   9  -2.431  -0.593  -2.130
   56   1HG2  THR   9          1HG2      THR   9  -5.244   0.985  -1.234
   57   2HG2  THR   9          2HG2      THR   9  -5.883  -0.658  -1.248
   58   3HG2  THR   9          3HG2      THR   9  -4.855  -0.100  -2.567
   59    H    PHE  10           H        PHE  10  -2.689   1.936  -0.424
   60    HA   PHE  10           HA       PHE  10  -4.713   3.938  -0.238
   61   1HB   PHE  10          2HB       PHE  10  -3.590   5.186   1.727
   62   2HB   PHE  10          1HB       PHE  10  -4.554   3.766   2.130
   63    HD1  PHE  10           1HD      PHE  10  -1.103   5.048   1.685
   64    HD2  PHE  10           2HD      PHE  10  -3.537   1.757   2.992
   65    HE1  PHE  10           1HE      PHE  10   0.883   3.988   2.726
   66    HE2  PHE  10           2HE      PHE  10  -1.552   0.701   4.024
   67    HZ   PHE  10           HZ       PHE  10   0.658   1.811   3.898
   68    H    LYS  11           H        LYS  11  -3.396   6.259  -0.053
   69    HA   LYS  11           HA       LYS  11  -1.351   6.079  -2.203
   70   1HB   LYS  11          2HB       LYS  11  -3.114   8.205  -0.989
   71   2HB   LYS  11          1HB       LYS  11  -1.777   8.645  -2.051
   72   1HG   LYS  11          2HG       LYS  11  -2.980   6.598  -3.450
   73   2HG   LYS  11          1HG       LYS  11  -4.361   7.416  -2.716
   74   1HD   LYS  11          2HD       LYS  11  -2.232   9.095  -3.982
   75   2HD   LYS  11          1HD       LYS  11  -3.365   8.246  -5.036
   76   1HE   LYS  11          2HE       LYS  11  -4.589   9.665  -2.727
   77   2HE   LYS  11          1HE       LYS  11  -3.901  10.695  -4.000
   78   1HZ   LYS  11          1HZ       LYS  11  -5.386   9.983  -5.503
   79   2HZ   LYS  11          2HZ       LYS  11  -6.312   9.514  -4.159
   80   3HZ   LYS  11          3HZ       LYS  11  -5.338   8.377  -4.960
   81    H    ASP  12           H        ASP  12   0.796   6.255  -1.681
   82    HA   ASP  12           HA       ASP  12   1.512   7.630   0.889
   83   1HB   ASP  12          2HB       ASP  12   1.662   4.941   0.329
   84   2HB   ASP  12          1HB       ASP  12   3.288   5.490  -0.093
   85    H    LYS  13           H        LYS  13   3.347   8.934   0.812
   86    HA   LYS  13           HA       LYS  13   4.612  10.584  -0.388
   87   1HB   LYS  13          2HB       LYS  13   6.667   9.241  -1.210
   88   2HB   LYS  13          1HB       LYS  13   6.210   9.093   0.489
   89   1HG   LYS  13          2HG       LYS  13   5.319   6.956   0.202
   90   2HG   LYS  13          1HG       LYS  13   5.050   7.200  -1.523
   91   1HD   LYS  13          2HD       LYS  13   7.754   7.477  -1.408
   92   2HD   LYS  13          1HD       LYS  13   7.491   6.316  -0.106
   93   1HE   LYS  13          2HE       LYS  13   6.549   4.711  -1.553
   94   2HE   LYS  13          1HE       LYS  13   6.181   5.920  -2.799
   95   1HZ   LYS  13          1HZ       LYS  13   8.344   6.047  -3.461
   96   2HZ   LYS  13          2HZ       LYS  13   8.322   4.423  -2.961
   97   3HZ   LYS  13          3HZ       LYS  13   8.964   5.621  -1.941
   98    H    CYS  14           H        CYS  14   5.788   8.432  -2.779
   99    HA   CYS  14           HA       CYS  14   4.160   9.862  -4.851
  100   1HB   CYS  14          2HB       CYS  14   6.909   8.589  -5.036
  101   2HB   CYS  14          1HB       CYS  14   6.142   9.612  -6.253
  102    H    ASN  15           H        ASN  15   3.760   7.143  -3.356
  103    HA   ASN  15           HA       ASN  15   3.049   5.628  -5.805
  104   1HB   ASN  15          2HB       ASN  15   5.018   4.738  -3.681
  105   2HB   ASN  15          1HB       ASN  15   4.310   3.640  -4.864
  106   1HD2  ASN  15          1HD2      ASN  15   6.373   6.549  -4.562
  107   2HD2  ASN  15          2HD2      ASN  15   7.115   6.377  -6.088
  108    H    THR  16           H        THR  16   2.034   3.422  -5.016
  109    HA   THR  16           HA       THR  16   0.170   4.066  -2.765
  110    HB   THR  16           HB       THR  16   0.082   2.435  -5.295
  111    HG1  THR  16           1HG      THR  16  -1.510   3.780  -5.735
  112   1HG2  THR  16          1HG2      THR  16  -2.290   1.778  -4.221
  113   2HG2  THR  16          2HG2      THR  16  -1.336   1.860  -2.741
  114   3HG2  THR  16          3HG2      THR  16  -0.860   0.761  -4.035
  115    H    CYS  17           H        CYS  17   0.214   2.821  -0.952
  116    HA   CYS  17           HA       CYS  17   2.106   0.508  -0.907
  117   1HB   CYS  17          2HB       CYS  17   1.875   2.814   0.597
  118   2HB   CYS  17          1HB       CYS  17   1.089   1.606   1.614
  119    H    ARG  18           H        ARG  18   0.992  -1.397  -1.145
  120    HA   ARG  18           HA       ARG  18  -1.806  -1.697  -0.361
  121   1HB   ARG  18          2HB       ARG  18  -1.148  -2.922  -2.253
  122   2HB   ARG  18          1HB       ARG  18   0.395  -3.380  -1.537
  123   1HG   ARG  18          2HG       ARG  18  -1.261  -5.270  -1.666
  124   2HG   ARG  18          1HG       ARG  18  -0.692  -4.933  -0.030
  125   1HD   ARG  18          2HD       ARG  18  -2.809  -4.520   0.652
  126   2HD   ARG  18          1HD       ARG  18  -3.011  -3.299  -0.620
  127    HE   ARG  18           HE       ARG  18  -4.293  -4.941  -1.725
  128   1HH1  ARG  18          1HH2      ARG  18  -3.013  -6.644   0.781
  129   2HH1  ARG  18          2HH2      ARG  18  -2.750  -8.123  -0.082
  130   1HH2  ARG  18          1HH1      ARG  18  -3.388  -6.731  -3.192
  131   2HH2  ARG  18          2HH1      ARG  18  -2.965  -8.171  -2.330
  132    H    CYS  19           H        CYS  19  -2.273  -1.849   1.812
  133    HA   CYS  19           HA       CYS  19  -0.520  -2.478   3.919
  134   1HB   CYS  19          2HB       CYS  19  -3.010  -1.613   3.754
  135   2HB   CYS  19          1HB       CYS  19  -3.407  -3.324   3.952
  136    H    GLY  20           H        GLY  20   0.507  -4.367   4.428
  137   1HA   GLY  20          2HA       GLY  20   0.192  -6.776   2.945
  138   2HA   GLY  20          1HA       GLY  20   1.035  -6.650   4.492
  139    H    SER  21           H        SER  21   0.114  -8.726   5.070
  140    HA   SER  21           HA       SER  21  -2.833  -8.758   5.548
  141   1HB   SER  21          2HB       SER  21  -0.899 -10.583   4.601
  142   2HB   SER  21          1HB       SER  21  -1.391 -11.184   6.181
  143    HG   SER  21           HG       SER  21  -2.791 -11.016   3.823
  144    H    ASP  22           H        ASP  22   0.020  -8.055   7.187
  145    HA   ASP  22           HA       ASP  22  -0.851  -9.175   9.793
  146   1HB   ASP  22          2HB       ASP  22   1.474  -9.399   9.273
  147   2HB   ASP  22          1HB       ASP  22   1.588  -7.715   8.748
  148    H    GLY  23           H        GLY  23  -1.561  -6.473   7.997
  149   1HA   GLY  23          2HA       GLY  23  -2.649  -4.478   8.586
  150   2HA   GLY  23          1HA       GLY  23  -2.719  -5.088  10.241
  151    H    LYS  24           H        LYS  24   0.454  -5.139   9.021
  152    HA   LYS  24           HA       LYS  24   1.053  -2.388  10.005
  153   1HB   LYS  24          2HB       LYS  24   1.098  -4.113  11.869
  154   2HB   LYS  24          1HB       LYS  24   2.441  -4.883  11.023
  155   1HG   LYS  24          2HG       LYS  24   3.375  -2.374  11.034
  156   2HG   LYS  24          1HG       LYS  24   2.358  -2.277  12.472
  157   1HD   LYS  24          2HD       LYS  24   4.622  -4.216  11.947
  158   2HD   LYS  24          1HD       LYS  24   4.531  -2.987  13.209
  159   1HE   LYS  24          2HE       LYS  24   2.290  -4.357  13.818
  160   2HE   LYS  24          1HE       LYS  24   3.237  -5.671  13.092
  161   1HZ   LYS  24          1HZ       LYS  24   3.557  -4.845  15.616
  162   2HZ   LYS  24          2HZ       LYS  24   4.713  -3.880  14.832
  163   3HZ   LYS  24          3HZ       LYS  24   4.786  -5.572  14.702
  164    H    SER  25           H        SER  25   1.330  -4.400   7.522
  165    HA   SER  25           HA       SER  25   4.128  -3.530   6.870
  166   1HB   SER  25          2HB       SER  25   2.692  -6.157   6.619
  167   2HB   SER  25          1HB       SER  25   3.968  -5.765   5.464
  168    HG   SER  25           HG       SER  25   5.397  -5.548   7.161
  169    H    ALA  26           H        ALA  26   4.469  -3.124   4.554
  170    HA   ALA  26           HA       ALA  26   2.020  -2.977   2.870
  171   1HB   ALA  26          1HB       ALA  26   2.522  -0.862   4.317
  172   2HB   ALA  26          2HB       ALA  26   2.165  -0.640   2.605
  173   3HB   ALA  26          3HB       ALA  26   3.833  -0.589   3.171
  174    H    ALA  27           H        ALA  27   2.506  -2.937   0.620
  175    HA   ALA  27           HA       ALA  27   5.191  -3.931  -0.087
  176   1HB   ALA  27          1HB       ALA  27   2.523  -4.236  -0.960
  177   2HB   ALA  27          2HB       ALA  27   3.957  -4.996  -1.650
  178   3HB   ALA  27          3HB       ALA  27   3.381  -3.455  -2.289
  179    H    CYS  28           H        CYS  28   3.054  -1.260  -1.076
  180    HA   CYS  28           HA       CYS  28   3.576   0.850  -1.980
  181   1HB   CYS  28          2HB       CYS  28   5.826  -0.002  -0.284
  182   2HB   CYS  28          1HB       CYS  28   6.274   1.188  -1.500
  183    H    THR  29           H        THR  29   3.447   0.657  -4.209
  184    HA   THR  29           HA       THR  29   4.759  -1.017  -5.967
  185    HB   THR  29           HB       THR  29   4.272   0.630  -7.649
  186    HG1  THR  29           1HG      THR  29   5.269   2.422  -6.927
  187   1HG2  THR  29          1HG2      THR  29   2.362  -0.270  -6.114
  188   2HG2  THR  29          2HG2      THR  29   2.015   1.065  -7.212
  189   3HG2  THR  29          3HG2      THR  29   2.308   1.383  -5.503
  190    H    LEU  30           H        LEU  30   6.031   2.060  -4.695
  191    HA   LEU  30           HA       LEU  30   8.236   2.881  -4.583
  192   1HB   LEU  30          2HB       LEU  30   8.522  -0.120  -4.673
  193   2HB   LEU  30          1HB       LEU  30   9.944   0.917  -4.569
  194    HG   LEU  30           HG       LEU  30   7.663   1.392  -2.687
  195   1HD1  LEU  30          1HD1      LEU  30   8.549  -1.130  -2.844
  196   2HD1  LEU  30          2HD1      LEU  30   8.172  -0.376  -1.295
  197   3HD1  LEU  30          3HD1      LEU  30   9.843  -0.466  -1.849
  198   1HD2  LEU  30          1HD2      LEU  30  10.197   2.489  -3.103
  199   2HD2  LEU  30          2HD2      LEU  30  10.397   1.464  -1.682
  200   3HD2  LEU  30          3HD2      LEU  30   9.177   2.737  -1.686
  201    H    LYS  31           H        LYS  31   8.137   3.992  -6.626
  202    HA   LYS  31           HA       LYS  31   9.632   2.607  -8.828
  203   1HB   LYS  31          2HB       LYS  31   7.030   4.023  -8.733
  204   2HB   LYS  31          1HB       LYS  31   8.062   4.449 -10.099
  205   1HG   LYS  31          2HG       LYS  31   6.976   2.608 -10.984
  206   2HG   LYS  31          1HG       LYS  31   8.369   1.814 -10.248
  207   1HD   LYS  31          2HD       LYS  31   6.788   0.532  -9.222
  208   2HD   LYS  31          1HD       LYS  31   6.658   1.910  -8.127
  209   1HE   LYS  31          2HE       LYS  31   4.486   2.095  -8.747
  210   2HE   LYS  31          1HE       LYS  31   5.047   2.546 -10.368
  211   1HZ   LYS  31          1HZ       LYS  31   5.410   0.069 -10.701
  212   2HZ   LYS  31          2HZ       LYS  31   3.799   0.608 -10.702
  213   3HZ   LYS  31          3HZ       LYS  31   4.440  -0.160  -9.329
  214    H    ALA  32           H        ALA  32   8.877   5.611  -7.128
  215    HA   ALA  32           HA       ALA  32  11.484   6.708  -7.296
  216   1HB   ALA  32          1HB       ALA  32   9.662   7.133  -9.621
  217   2HB   ALA  32          2HB       ALA  32  11.419   7.002  -9.585
  218   3HB   ALA  32          3HB       ALA  32  10.638   8.507  -9.101
  219    H    CYS  33           H        CYS  33  11.562   8.768  -6.252
  220    HA   CYS  33           HA       CYS  33   9.274  10.444  -5.768
  221   1HB   CYS  33          2HB       CYS  33   8.675   8.299  -4.557
  222   2HB   CYS  33          1HB       CYS  33  10.060   8.588  -3.501
  223    HA   PRO  34           HA       PRO  34  13.283  12.320  -4.680
  224   1HB   PRO  34          2HB       PRO  34  12.598  14.823  -5.552
  225   2HB   PRO  34          1HB       PRO  34  13.212  13.556  -6.633
  226   1HG   PRO  34          2HG       PRO  34  10.415  14.469  -6.183
  227   2HG   PRO  34          1HG       PRO  34  11.214  13.975  -7.684
  228   1HD   PRO  34          2HD       PRO  34   9.515  12.366  -6.279
  229   2HD   PRO  34          1HD       PRO  34  10.825  11.750  -7.314
  230    H    GLN  35           H        GLN  35   9.977  13.173  -3.896
  231    HA   GLN  35           HA       GLN  35  10.729  13.898  -1.165
  232   1HB   GLN  35          2HB       GLN  35   9.939  16.248  -1.383
  233   2HB   GLN  35          1HB       GLN  35  11.329  15.932  -2.423
  234   1HG   GLN  35          2HG       GLN  35   9.563  15.353  -4.239
  235   2HG   GLN  35          1HG       GLN  35   8.430  16.215  -3.197
  236   1HE2  GLN  35          1HE2      GLN  35   8.586  17.582  -5.417
  237   2HE2  GLN  35          2HE2      GLN  35   9.693  18.869  -5.368
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1   8.126   2.672  10.137
    2   2H    GLU   1          2HT       GLU   1   6.684   3.569  10.099
    3   3H    GLU   1          3HT       GLU   1   7.328   2.931   8.663
    4    HA   GLU   1           HA       GLU   1   6.815   0.716   9.284
    5   1HB   GLU   1          2HB       GLU   1   7.581   1.426  11.684
    6   2HB   GLU   1          1HB       GLU   1   5.870   1.764  11.947
    7   1HG   GLU   1          2HG       GLU   1   5.764  -0.705  10.756
    8   2HG   GLU   1          1HG       GLU   1   7.252  -0.826  11.694
    9    H    VAL   2           H        VAL   2   5.127   0.894   7.769
   10    HA   VAL   2           HA       VAL   2   2.846   2.602   8.014
   11    HB   VAL   2           HB       VAL   2   3.367   1.701   5.877
   12   1HG1  VAL   2          1HG1      VAL   2   4.725  -0.159   6.261
   13   2HG1  VAL   2          2HG1      VAL   2   3.250  -0.915   5.660
   14   3HG1  VAL   2          3HG1      VAL   2   3.582  -0.884   7.392
   15   1HG2  VAL   2          1HG2      VAL   2   0.860   1.333   6.960
   16   2HG2  VAL   2          2HG2      VAL   2   1.235  -0.276   6.342
   17   3HG2  VAL   2          3HG2      VAL   2   1.260   1.113   5.257
   18    H    THR   3           H        THR   3   0.928   2.324   9.118
   19    HA   THR   3           HA       THR   3   0.469  -0.316  10.472
   20    HB   THR   3           HB       THR   3   0.093   2.519  11.493
   21    HG1  THR   3           1HG      THR   3   2.229   1.700  11.523
   22   1HG2  THR   3          1HG2      THR   3  -1.563   0.526  12.140
   23   2HG2  THR   3          2HG2      THR   3  -1.015   1.700  13.338
   24   3HG2  THR   3          3HG2      THR   3  -0.239   0.119  13.233
   25    H    CYS   4           H        CYS   4  -0.918  -0.642   8.475
   26    HA   CYS   4           HA       CYS   4  -3.553   0.775   8.754
   27   1HB   CYS   4          2HB       CYS   4  -3.674   0.334   6.246
   28   2HB   CYS   4          1HB       CYS   4  -2.432   1.485   6.748
   29    H    GLU   5           H        GLU   5  -5.308  -0.629   7.551
   30    HA   GLU   5           HA       GLU   5  -5.286  -3.301   8.794
   31   1HB   GLU   5          2HB       GLU   5  -7.157  -1.303   7.958
   32   2HB   GLU   5          1HB       GLU   5  -7.547  -2.797   7.108
   33   1HG   GLU   5          2HG       GLU   5  -8.625  -3.395   9.010
   34   2HG   GLU   5          1HG       GLU   5  -7.015  -3.689   9.669
   35    HA   PRO   6           HA       PRO   6  -3.984  -5.359   5.114
   36   1HB   PRO   6          2HB       PRO   6  -5.007  -7.846   5.626
   37   2HB   PRO   6          1HB       PRO   6  -3.571  -7.202   6.448
   38   1HG   PRO   6          2HG       PRO   6  -6.385  -7.366   7.407
   39   2HG   PRO   6          1HG       PRO   6  -4.874  -7.638   8.289
   40   1HD   PRO   6          2HD       PRO   6  -6.324  -5.338   8.475
   41   2HD   PRO   6          1HD       PRO   6  -4.560  -5.405   8.704
   42    H    GLY   7           H        GLY   7  -4.981  -5.036   3.163
   43   1HA   GLY   7          2HA       GLY   7  -6.620  -5.659   1.489
   44   2HA   GLY   7          1HA       GLY   7  -7.748  -6.060   2.790
   45    H    THR   8           H        THR   8  -5.844  -3.144   1.954
   46    HA   THR   8           HA       THR   8  -8.283  -1.582   1.496
   47    HB   THR   8           HB       THR   8  -6.536  -1.023   3.913
   48    HG1  THR   8           1HG      THR   8  -9.185  -1.785   4.175
   49   1HG2  THR   8          1HG2      THR   8  -8.604   0.410   4.467
   50   2HG2  THR   8          2HG2      THR   8  -9.039   0.212   2.769
   51   3HG2  THR   8          3HG2      THR   8  -7.525   1.007   3.205
   52    H    THR   9           H        THR   9  -4.786  -1.642   2.022
   53    HA   THR   9           HA       THR   9  -3.073  -0.209   1.232
   54    HB   THR   9           HB       THR   9  -3.871  -1.683  -0.665
   55    HG1  THR   9           1HG      THR   9  -2.900  -0.241  -2.273
   56   1HG2  THR   9          1HG2      THR   9  -6.037  -0.873  -1.158
   57   2HG2  THR   9          2HG2      THR   9  -5.050  -0.320  -2.511
   58   3HG2  THR   9          3HG2      THR   9  -5.487   0.802  -1.223
   59    H    PHE  10           H        PHE  10  -2.970   1.862  -0.518
   60    HA   PHE  10           HA       PHE  10  -5.025   3.833  -0.387
   61   1HB   PHE  10          2HB       PHE  10  -3.841   5.222   1.461
   62   2HB   PHE  10          1HB       PHE  10  -4.819   3.847   1.972
   63    HD1  PHE  10           1HD      PHE  10  -3.830   1.924   3.000
   64    HD2  PHE  10           2HD      PHE  10  -1.347   5.009   1.340
   65    HE1  PHE  10           1HE      PHE  10  -1.849   0.916   4.092
   66    HE2  PHE  10           2HE      PHE  10   0.637   4.000   2.434
   67    HZ   PHE  10           HZ       PHE  10   0.388   1.948   3.815
   68    H    LYS  11           H        LYS  11  -3.665   6.190  -0.287
   69    HA   LYS  11           HA       LYS  11  -1.501   5.837  -2.337
   70   1HB   LYS  11          2HB       LYS  11  -3.910   7.493  -2.090
   71   2HB   LYS  11          1HB       LYS  11  -2.476   8.429  -2.517
   72   1HG   LYS  11          2HG       LYS  11  -2.034   6.583  -4.274
   73   2HG   LYS  11          1HG       LYS  11  -3.711   6.111  -4.001
   74   1HD   LYS  11          2HD       LYS  11  -2.776   8.875  -4.830
   75   2HD   LYS  11          1HD       LYS  11  -3.537   7.688  -5.890
   76   1HE   LYS  11          2HE       LYS  11  -5.561   7.714  -4.426
   77   2HE   LYS  11          1HE       LYS  11  -4.804   8.993  -3.454
   78   1HZ   LYS  11          1HZ       LYS  11  -4.440  10.158  -5.668
   79   2HZ   LYS  11          2HZ       LYS  11  -6.028  10.138  -5.067
   80   3HZ   LYS  11          3HZ       LYS  11  -5.574   9.074  -6.311
   81    H    ASP  12           H        ASP  12   0.484   6.320  -1.494
   82    HA   ASP  12           HA       ASP  12   0.680   8.591   0.452
   83   1HB   ASP  12          2HB       ASP  12   0.787   6.061   1.254
   84   2HB   ASP  12          1HB       ASP  12   2.445   6.173   0.651
   85    H    LYS  13           H        LYS  13   3.082   9.256   0.642
   86    HA   LYS  13           HA       LYS  13   4.766  10.399  -0.587
   87   1HB   LYS  13          2HB       LYS  13   6.320   8.632  -1.493
   88   2HB   LYS  13          1HB       LYS  13   5.772   8.353   0.162
   89   1HG   LYS  13          2HG       LYS  13   4.145   6.748  -0.560
   90   2HG   LYS  13          1HG       LYS  13   4.415   7.170  -2.251
   91   1HD   LYS  13          2HD       LYS  13   5.615   5.110  -1.788
   92   2HD   LYS  13          1HD       LYS  13   6.794   6.406  -1.998
   93   1HE   LYS  13          2HE       LYS  13   6.135   6.467   0.739
   94   2HE   LYS  13          1HE       LYS  13   6.337   4.750   0.338
   95   1HZ   LYS  13          1HZ       LYS  13   8.420   6.205   0.843
   96   2HZ   LYS  13          2HZ       LYS  13   8.220   6.722  -0.764
   97   3HZ   LYS  13          3HZ       LYS  13   8.465   5.076  -0.423
   98    H    CYS  14           H        CYS  14   5.444   8.432  -3.161
   99    HA   CYS  14           HA       CYS  14   3.762  10.124  -4.971
  100   1HB   CYS  14          2HB       CYS  14   5.640  10.174  -6.440
  101   2HB   CYS  14          1HB       CYS  14   6.305  10.409  -4.822
  102    H    ASN  15           H        ASN  15   2.887   7.505  -3.909
  103    HA   ASN  15           HA       ASN  15   2.099   6.279  -6.429
  104   1HB   ASN  15          2HB       ASN  15   4.469   5.349  -4.937
  105   2HB   ASN  15          1HB       ASN  15   3.371   4.079  -5.470
  106   1HD2  ASN  15          1HD2      ASN  15   5.941   6.068  -6.491
  107   2HD2  ASN  15          2HD2      ASN  15   5.777   5.830  -8.172
  108    H    THR  16           H        THR  16   2.779   4.204  -3.704
  109    HA   THR  16           HA       THR  16   0.348   4.542  -2.216
  110    HB   THR  16           HB       THR  16   0.324   2.977  -4.752
  111    HG1  THR  16           1HG      THR  16  -2.056   3.581  -4.073
  112   1HG2  THR  16          1HG2      THR  16   0.094   1.230  -2.933
  113   2HG2  THR  16          2HG2      THR  16  -1.295   1.358  -4.009
  114   3HG2  THR  16          3HG2      THR  16  -1.360   2.075  -2.402
  115    H    CYS  17           H        CYS  17  -0.160   2.397  -1.019
  116    HA   CYS  17           HA       CYS  17   2.266   0.731  -0.603
  117   1HB   CYS  17          2HB       CYS  17   1.285   2.976   0.975
  118   2HB   CYS  17          1HB       CYS  17   1.388   1.507   1.932
  119    H    ARG  18           H        ARG  18   0.804  -0.996  -1.406
  120    HA   ARG  18           HA       ARG  18  -1.773  -1.600  -0.402
  121   1HB   ARG  18          2HB       ARG  18  -0.807  -2.664  -2.356
  122   2HB   ARG  18          1HB       ARG  18   0.496  -3.356  -1.385
  123   1HG   ARG  18          2HG       ARG  18  -1.119  -5.104  -1.709
  124   2HG   ARG  18          1HG       ARG  18  -1.296  -4.557  -0.042
  125   1HD   ARG  18          2HD       ARG  18  -3.431  -3.880  -0.412
  126   2HD   ARG  18          1HD       ARG  18  -2.961  -3.006  -1.885
  127    HE   ARG  18           HE       ARG  18  -3.128  -5.978  -1.976
  128   1HH1  ARG  18          1HH2      ARG  18  -5.224  -3.403  -2.218
  129   2HH1  ARG  18          2HH2      ARG  18  -5.724  -3.720  -3.847
  130   1HH2  ARG  18          1HH1      ARG  18  -3.322  -6.161  -4.389
  131   2HH2  ARG  18          2HH1      ARG  18  -4.650  -5.284  -5.073
  132    H    CYS  19           H        CYS  19  -2.257  -1.824   1.751
  133    HA   CYS  19           HA       CYS  19  -0.496  -2.390   3.876
  134   1HB   CYS  19          2HB       CYS  19  -3.036  -1.657   3.670
  135   2HB   CYS  19          1HB       CYS  19  -3.328  -3.386   3.884
  136    H    GLY  20           H        GLY  20   0.432  -4.269   4.628
  137   1HA   GLY  20          2HA       GLY  20   0.539  -6.638   3.094
  138   2HA   GLY  20          1HA       GLY  20   0.970  -6.545   4.805
  139    H    SER  21           H        SER  21  -0.016  -8.770   4.809
  140    HA   SER  21           HA       SER  21  -2.977  -8.846   4.634
  141   1HB   SER  21          2HB       SER  21  -1.074 -11.066   5.392
  142   2HB   SER  21          1HB       SER  21  -2.658 -11.203   4.635
  143    HG   SER  21           HG       SER  21  -0.544 -11.304   3.333
  144    H    ASP  22           H        ASP  22  -0.445  -8.648   7.021
  145    HA   ASP  22           HA       ASP  22  -2.427  -9.238   9.192
  146   1HB   ASP  22          2HB       ASP  22  -0.248  -9.498  10.526
  147   2HB   ASP  22          1HB       ASP  22  -0.542 -10.710   9.273
  148    H    GLY  23           H        GLY  23  -1.443  -6.639   7.569
  149   1HA   GLY  23          2HA       GLY  23  -1.573  -4.352   8.139
  150   2HA   GLY  23          1HA       GLY  23  -1.892  -4.829   9.809
  151    H    LYS  24           H        LYS  24  -0.251  -2.790   9.746
  152    HA   LYS  24           HA       LYS  24   1.911  -2.043  10.351
  153   1HB   LYS  24          2HB       LYS  24   1.821  -4.958  11.134
  154   2HB   LYS  24          1HB       LYS  24   3.258  -3.981  11.441
  155   1HG   LYS  24          2HG       LYS  24   1.976  -3.790  13.427
  156   2HG   LYS  24          1HG       LYS  24   1.657  -2.293  12.547
  157   1HD   LYS  24          2HD       LYS  24  -0.523  -2.813  12.215
  158   2HD   LYS  24          1HD       LYS  24  -0.154  -4.494  11.826
  159   1HE   LYS  24          2HE       LYS  24   0.409  -4.058  14.613
  160   2HE   LYS  24          1HE       LYS  24  -1.238  -3.501  14.257
  161   1HZ   LYS  24          1HZ       LYS  24  -0.056  -6.128  13.529
  162   2HZ   LYS  24          2HZ       LYS  24  -1.574  -5.581  12.996
  163   3HZ   LYS  24          3HZ       LYS  24  -1.298  -5.856  14.651
  164    H    SER  25           H        SER  25   1.385  -3.175   7.582
  165    HA   SER  25           HA       SER  25   4.174  -3.164   6.692
  166   1HB   SER  25          2HB       SER  25   2.481  -5.654   6.818
  167   2HB   SER  25          1HB       SER  25   3.730  -5.494   5.582
  168    HG   SER  25           HG       SER  25   5.050  -6.078   7.102
  169    H    ALA  26           H        ALA  26   4.293  -2.745   4.438
  170    HA   ALA  26           HA       ALA  26   1.756  -2.771   2.886
  171   1HB   ALA  26          1HB       ALA  26   3.548  -0.350   3.241
  172   2HB   ALA  26          2HB       ALA  26   2.009  -0.583   4.068
  173   3HB   ALA  26          3HB       ALA  26   2.050  -0.410   2.314
  174    H    ALA  27           H        ALA  27   2.150  -3.348   0.757
  175    HA   ALA  27           HA       ALA  27   4.714  -4.256  -0.111
  176   1HB   ALA  27          1HB       ALA  27   3.590  -4.582  -2.208
  177   2HB   ALA  27          2HB       ALA  27   2.442  -3.290  -1.864
  178   3HB   ALA  27          3HB       ALA  27   2.357  -4.805  -0.966
  179    H    CYS  28           H        CYS  28   2.898  -1.459  -1.354
  180    HA   CYS  28           HA       CYS  28   3.628   0.668  -2.051
  181   1HB   CYS  28          2HB       CYS  28   6.163  -0.060  -0.569
  182   2HB   CYS  28          1HB       CYS  28   5.492   1.549  -0.828
  183    H    THR  29           H        THR  29   3.902   0.493  -4.261
  184    HA   THR  29           HA       THR  29   6.136  -0.942  -5.482
  185    HB   THR  29           HB       THR  29   4.232  -0.867  -6.843
  186    HG1  THR  29           1HG      THR  29   6.120  -0.075  -7.933
  187   1HG2  THR  29          1HG2      THR  29   3.768   1.725  -5.540
  188   2HG2  THR  29          2HG2      THR  29   2.608   0.575  -6.198
  189   3HG2  THR  29          3HG2      THR  29   3.391   1.742  -7.262
  190    H    LEU  30           H        LEU  30   5.315   2.473  -6.045
  191    HA   LEU  30           HA       LEU  30   6.852   4.187  -6.704
  192   1HB   LEU  30          2HB       LEU  30   7.892   4.873  -4.395
  193   2HB   LEU  30          1HB       LEU  30   6.151   4.913  -4.618
  194    HG   LEU  30           HG       LEU  30   7.291   2.335  -3.684
  195   1HD1  LEU  30          1HD1      LEU  30   7.801   4.865  -2.339
  196   2HD1  LEU  30          2HD1      LEU  30   8.432   3.258  -1.978
  197   3HD1  LEU  30          3HD1      LEU  30   6.870   3.758  -1.331
  198   1HD2  LEU  30          1HD2      LEU  30   5.216   2.898  -2.077
  199   2HD2  LEU  30          2HD2      LEU  30   4.978   2.260  -3.704
  200   3HD2  LEU  30          3HD2      LEU  30   4.820   3.989  -3.405
  201    H    LYS  31           H        LYS  31   8.601   3.836  -7.979
  202    HA   LYS  31           HA       LYS  31  10.920   2.280  -7.003
  203   1HB   LYS  31          2HB       LYS  31  10.893   3.924  -9.523
  204   2HB   LYS  31          1HB       LYS  31  11.575   2.328  -9.252
  205   1HG   LYS  31          2HG       LYS  31   8.678   2.285  -8.933
  206   2HG   LYS  31          1HG       LYS  31   9.143   2.901 -10.513
  207   1HD   LYS  31          2HD       LYS  31  10.121   0.915 -11.145
  208   2HD   LYS  31          1HD       LYS  31  10.550   0.477  -9.489
  209   1HE   LYS  31          2HE       LYS  31   8.494  -0.475  -9.064
  210   2HE   LYS  31          1HE       LYS  31   7.635   0.671 -10.113
  211   1HZ   LYS  31          1HZ       LYS  31   7.694  -1.419 -11.236
  212   2HZ   LYS  31          2HZ       LYS  31   9.361  -1.593 -10.965
  213   3HZ   LYS  31          3HZ       LYS  31   8.791  -0.394 -12.025
  214    H    ALA  32           H        ALA  32  10.587   4.206  -5.257
  215    HA   ALA  32           HA       ALA  32  11.865   5.896  -4.182
  216   1HB   ALA  32          1HB       ALA  32  13.153   6.802  -6.682
  217   2HB   ALA  32          2HB       ALA  32  13.495   5.130  -6.233
  218   3HB   ALA  32          3HB       ALA  32  13.873   6.440  -5.113
  219    H    CYS  33           H        CYS  33  11.327   8.106  -3.932
  220    HA   CYS  33           HA       CYS  33   9.472   9.173  -6.032
  221   1HB   CYS  33          2HB       CYS  33   9.553   9.491  -3.016
  222   2HB   CYS  33          1HB       CYS  33   8.453  10.393  -4.063
  223    HA   PRO  34           HA       PRO  34  12.857  12.177  -6.081
  224   1HB   PRO  34          2HB       PRO  34  12.368  13.017  -8.635
  225   2HB   PRO  34          1HB       PRO  34  13.310  11.558  -8.264
  226   1HG   PRO  34          2HG       PRO  34  10.490  11.813  -9.161
  227   2HG   PRO  34          1HG       PRO  34  11.697  10.579  -9.556
  228   1HD   PRO  34          2HD       PRO  34   9.664  10.239  -7.735
  229   2HD   PRO  34          1HD       PRO  34  11.187   9.318  -7.730
  230    H    GLN  35           H        GLN  35   9.577  12.658  -7.379
  231    HA   GLN  35           HA       GLN  35   9.314  15.156  -5.809
  232   1HB   GLN  35          2HB       GLN  35  10.201  15.155  -8.463
  233   2HB   GLN  35          1HB       GLN  35   8.485  15.550  -8.581
  234   1HG   GLN  35          2HG       GLN  35   8.704  17.471  -7.243
  235   2HG   GLN  35          1HG       GLN  35  10.232  16.926  -6.549
  236   1HE2  GLN  35          1HE2      GLN  35   9.395  19.413  -8.261
  237   2HE2  GLN  35          2HE2      GLN  35  10.591  19.467  -9.467
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1   5.365  -0.836  11.086
    2   2H    GLU   1          2HT       GLU   1   6.808  -0.391  11.866
    3   3H    GLU   1          3HT       GLU   1   6.705  -0.341  10.171
    4    HA   GLU   1           HA       GLU   1   5.585   1.522  12.156
    5   1HB   GLU   1          2HB       GLU   1   7.721   1.963  11.059
    6   2HB   GLU   1          1HB       GLU   1   7.001   1.665   9.476
    7   1HG   GLU   1          2HG       GLU   1   7.043   4.037   9.716
    8   2HG   GLU   1          1HG       GLU   1   5.371   3.562  10.023
    9    H    VAL   2           H        VAL   2   4.880  -0.076   9.090
   10    HA   VAL   2           HA       VAL   2   2.904   1.623   8.011
   11    HB   VAL   2           HB       VAL   2   3.163  -1.401   8.103
   12   1HG1  VAL   2          1HG1      VAL   2   1.663   0.144   5.997
   13   2HG1  VAL   2          2HG1      VAL   2   0.852  -0.359   7.481
   14   3HG1  VAL   2          3HG1      VAL   2   1.550  -1.568   6.405
   15   1HG2  VAL   2          1HG2      VAL   2   4.071   0.748   6.169
   16   2HG2  VAL   2          2HG2      VAL   2   4.050  -0.966   5.757
   17   3HG2  VAL   2          3HG2      VAL   2   5.080  -0.386   7.066
   18    H    THR   3           H        THR   3   1.014   2.322   8.927
   19    HA   THR   3           HA       THR   3  -0.293   0.581  10.991
   20    HB   THR   3           HB       THR   3   0.657   2.729  11.794
   21    HG1  THR   3           1HG      THR   3  -1.637   3.623  12.293
   22   1HG2  THR   3          1HG2      THR   3  -0.339   3.669   9.321
   23   2HG2  THR   3          2HG2      THR   3   0.501   4.600  10.561
   24   3HG2  THR   3          3HG2      THR   3  -1.260   4.501  10.574
   25    H    CYS   4           H        CYS   4  -1.420  -0.468   9.107
   26    HA   CYS   4           HA       CYS   4  -3.896   1.037   8.436
   27   1HB   CYS   4          2HB       CYS   4  -3.544   0.384   6.022
   28   2HB   CYS   4          1HB       CYS   4  -2.348   1.536   6.627
   29    H    GLU   5           H        GLU   5  -5.487  -0.512   7.328
   30    HA   GLU   5           HA       GLU   5  -5.428  -3.107   8.739
   31   1HB   GLU   5          2HB       GLU   5  -7.439  -1.638   7.007
   32   2HB   GLU   5          1HB       GLU   5  -7.763  -3.199   7.761
   33   1HG   GLU   5          2HG       GLU   5  -6.880  -0.760   9.323
   34   2HG   GLU   5          1HG       GLU   5  -8.573  -1.196   9.086
   35    HA   PRO   6           HA       PRO   6  -4.040  -5.351   5.221
   36   1HB   PRO   6          2HB       PRO   6  -5.121  -7.801   5.801
   37   2HB   PRO   6          1HB       PRO   6  -3.711  -7.137   6.649
   38   1HG   PRO   6          2HG       PRO   6  -6.558  -7.230   7.505
   39   2HG   PRO   6          1HG       PRO   6  -5.086  -7.467   8.456
   40   1HD   PRO   6          2HD       PRO   6  -6.524  -5.151   8.468
   41   2HD   PRO   6          1HD       PRO   6  -4.773  -5.222   8.780
   42    H    GLY   7           H        GLY   7  -4.950  -5.062   3.228
   43   1HA   GLY   7          2HA       GLY   7  -6.506  -5.689   1.489
   44   2HA   GLY   7          1HA       GLY   7  -7.687  -6.110   2.738
   45    H    THR   8           H        THR   8  -5.770  -3.144   2.264
   46    HA   THR   8           HA       THR   8  -8.207  -1.607   1.600
   47    HB   THR   8           HB       THR   8  -6.564  -0.936   4.050
   48    HG1  THR   8           1HG      THR   8  -7.855  -2.168   5.211
   49   1HG2  THR   8          1HG2      THR   8  -9.276  -0.093   4.177
   50   2HG2  THR   8          2HG2      THR   8  -8.663   0.351   2.584
   51   3HG2  THR   8          3HG2      THR   8  -7.835   0.913   4.037
   52    H    THR   9           H        THR   9  -4.725  -1.674   2.217
   53    HA   THR   9           HA       THR   9  -3.003  -0.204   1.517
   54    HB   THR   9           HB       THR   9  -3.766  -1.619  -0.450
   55    HG1  THR   9           1HG      THR   9  -2.060   0.225  -0.338
   56   1HG2  THR   9          1HG2      THR   9  -5.918  -0.750  -0.947
   57   2HG2  THR   9          2HG2      THR   9  -4.892  -0.213  -2.277
   58   3HG2  THR   9          3HG2      THR   9  -5.323   0.910  -0.988
   59    H    PHE  10           H        PHE  10  -2.966   1.923  -0.235
   60    HA   PHE  10           HA       PHE  10  -5.064   3.844   0.038
   61   1HB   PHE  10          2HB       PHE  10  -3.763   5.223   1.836
   62   2HB   PHE  10          1HB       PHE  10  -4.735   3.854   2.374
   63    HD1  PHE  10           1HD      PHE  10  -3.734   1.911   3.338
   64    HD2  PHE  10           2HD      PHE  10  -1.278   4.964   1.581
   65    HE1  PHE  10           1HE      PHE  10  -1.718   0.848   4.312
   66    HE2  PHE  10           2HE      PHE  10   0.741   3.900   2.555
   67    HZ   PHE  10           HZ       PHE  10   0.521   1.839   3.921
   68    H    LYS  11           H        LYS  11  -3.833   6.220   0.005
   69    HA   LYS  11           HA       LYS  11  -1.891   5.961  -2.245
   70   1HB   LYS  11          2HB       LYS  11  -4.037   7.812  -1.389
   71   2HB   LYS  11          1HB       LYS  11  -2.631   8.585  -2.124
   72   1HG   LYS  11          2HG       LYS  11  -2.814   7.026  -4.054
   73   2HG   LYS  11          1HG       LYS  11  -4.269   6.337  -3.334
   74   1HD   LYS  11          2HD       LYS  11  -5.483   7.955  -4.313
   75   2HD   LYS  11          1HD       LYS  11  -4.622   9.152  -3.345
   76   1HE   LYS  11          2HE       LYS  11  -4.128   9.873  -5.526
   77   2HE   LYS  11          1HE       LYS  11  -2.739   8.819  -5.192
   78   1HZ   LYS  11          1HZ       LYS  11  -3.739   7.033  -6.302
   79   2HZ   LYS  11          2HZ       LYS  11  -4.016   8.363  -7.321
   80   3HZ   LYS  11          3HZ       LYS  11  -5.264   7.775  -6.330
   81    H    ASP  12           H        ASP  12   0.142   5.817  -1.259
   82    HA   ASP  12           HA       ASP  12   0.893   8.073   0.568
   83   1HB   ASP  12          2HB       ASP  12   0.665   5.535   1.345
   84   2HB   ASP  12          1HB       ASP  12   2.258   5.403   0.591
   85    H    LYS  13           H        LYS  13   3.424   8.274   0.511
   86    HA   LYS  13           HA       LYS  13   5.239   8.943  -0.851
   87   1HB   LYS  13          2HB       LYS  13   4.744   6.437  -2.413
   88   2HB   LYS  13          1HB       LYS  13   6.263   7.066  -1.765
   89   1HG   LYS  13          2HG       LYS  13   4.843   6.675   0.531
   90   2HG   LYS  13          1HG       LYS  13   4.218   5.385  -0.475
   91   1HD   LYS  13          2HD       LYS  13   6.059   4.271   0.324
   92   2HD   LYS  13          1HD       LYS  13   6.843   5.102  -1.019
   93   1HE   LYS  13          2HE       LYS  13   7.389   6.996   0.565
   94   2HE   LYS  13          1HE       LYS  13   6.790   5.975   1.889
   95   1HZ   LYS  13          1HZ       LYS  13   9.306   5.884   0.909
   96   2HZ   LYS  13          2HZ       LYS  13   8.559   4.620   0.055
   97   3HZ   LYS  13          3HZ       LYS  13   8.553   4.622   1.755
   98    H    CYS  14           H        CYS  14   5.448   7.919  -3.700
   99    HA   CYS  14           HA       CYS  14   3.648   9.977  -4.902
  100   1HB   CYS  14          2HB       CYS  14   5.719   8.573  -6.518
  101   2HB   CYS  14          1HB       CYS  14   5.342  10.290  -6.437
  102    H    ASN  15           H        ASN  15   3.147   6.934  -4.138
  103    HA   ASN  15           HA       ASN  15   1.626   6.364  -6.632
  104   1HB   ASN  15          2HB       ASN  15   3.926   4.817  -5.478
  105   2HB   ASN  15          1HB       ASN  15   2.652   3.951  -6.335
  106   1HD2  ASN  15          1HD2      ASN  15   5.469   4.363  -7.232
  107   2HD2  ASN  15          2HD2      ASN  15   5.364   5.188  -8.722
  108    H    THR  16           H        THR  16   2.406   3.947  -4.210
  109    HA   THR  16           HA       THR  16   0.011   4.391  -2.581
  110    HB   THR  16           HB       THR  16   0.095   2.546  -4.943
  111    HG1  THR  16           1HG      THR  16  -1.660   4.350  -3.718
  112   1HG2  THR  16          1HG2      THR  16  -1.605   2.010  -2.492
  113   2HG2  THR  16          2HG2      THR  16  -0.197   1.056  -2.958
  114   3HG2  THR  16          3HG2      THR  16  -1.618   1.098  -4.003
  115    H    CYS  17           H        CYS  17  -0.365   2.432  -1.157
  116    HA   CYS  17           HA       CYS  17   2.119   0.874  -0.651
  117   1HB   CYS  17          2HB       CYS  17   1.029   3.170   0.776
  118   2HB   CYS  17          1HB       CYS  17   1.184   1.773   1.826
  119    H    ARG  18           H        ARG  18   0.874  -1.012  -1.252
  120    HA   ARG  18           HA       ARG  18  -1.723  -1.682  -0.307
  121   1HB   ARG  18          2HB       ARG  18  -0.858  -2.910  -2.105
  122   2HB   ARG  18          1HB       ARG  18   0.698  -3.152  -1.317
  123   1HG   ARG  18          2HG       ARG  18  -0.500  -5.258  -1.280
  124   2HG   ARG  18          1HG       ARG  18  -0.454  -4.624   0.365
  125   1HD   ARG  18          2HD       ARG  18  -2.736  -3.864   0.228
  126   2HD   ARG  18          1HD       ARG  18  -2.794  -4.180  -1.518
  127    HE   ARG  18           HE       ARG  18  -2.059  -6.525   0.074
  128   1HH1  ARG  18          1HH2      ARG  18  -3.695  -6.139  -2.575
  129   2HH1  ARG  18          2HH2      ARG  18  -5.225  -6.768  -2.061
  130   1HH2  ARG  18          1HH1      ARG  18  -4.422  -6.690   1.313
  131   2HH2  ARG  18          2HH1      ARG  18  -5.638  -7.080   0.143
  132    H    CYS  19           H        CYS  19  -2.404  -2.213   1.720
  133    HA   CYS  19           HA       CYS  19  -0.500  -2.531   3.919
  134   1HB   CYS  19          2HB       CYS  19  -2.838  -1.407   3.844
  135   2HB   CYS  19          1HB       CYS  19  -3.478  -3.048   3.964
  136    H    GLY  20           H        GLY  20   0.512  -4.472   4.205
  137   1HA   GLY  20          2HA       GLY  20  -0.138  -6.922   3.001
  138   2HA   GLY  20          1HA       GLY  20   0.796  -6.784   4.494
  139    H    SER  21           H        SER  21  -0.682  -8.958   4.470
  140    HA   SER  21           HA       SER  21  -3.429  -8.619   5.363
  141   1HB   SER  21          2HB       SER  21  -1.959 -10.619   4.297
  142   2HB   SER  21          1HB       SER  21  -1.843 -11.060   5.999
  143    HG   SER  21           HG       SER  21  -3.942 -11.443   6.054
  144    H    ASP  22           H        ASP  22  -0.433  -8.146   6.878
  145    HA   ASP  22           HA       ASP  22  -1.489  -8.815   9.589
  146   1HB   ASP  22          2HB       ASP  22   1.147  -8.578   8.242
  147   2HB   ASP  22          1HB       ASP  22   1.100  -8.042   9.926
  148    H    GLY  23           H        GLY  23  -1.637  -6.256   7.558
  149   1HA   GLY  23          2HA       GLY  23  -2.148  -3.994   7.955
  150   2HA   GLY  23          1HA       GLY  23  -2.131  -4.356   9.684
  151    H    LYS  24           H        LYS  24   0.287  -4.957  10.412
  152    HA   LYS  24           HA       LYS  24   1.853  -2.532   9.942
  153   1HB   LYS  24          2HB       LYS  24   1.499  -4.404  11.955
  154   2HB   LYS  24          1HB       LYS  24   3.113  -4.781  11.352
  155   1HG   LYS  24          2HG       LYS  24   3.880  -2.548  11.741
  156   2HG   LYS  24          1HG       LYS  24   2.240  -1.967  12.037
  157   1HD   LYS  24          2HD       LYS  24   3.386  -4.157  13.750
  158   2HD   LYS  24          1HD       LYS  24   3.795  -2.473  14.083
  159   1HE   LYS  24          2HE       LYS  24   0.905  -3.116  13.652
  160   2HE   LYS  24          1HE       LYS  24   1.640  -3.601  15.193
  161   1HZ   LYS  24          1HZ       LYS  24   1.952  -0.903  13.995
  162   2HZ   LYS  24          2HZ       LYS  24   2.430  -1.401  15.547
  163   3HZ   LYS  24          3HZ       LYS  24   0.781  -1.274  15.163
  164    H    SER  25           H        SER  25   1.647  -3.799   7.475
  165    HA   SER  25           HA       SER  25   4.443  -4.256   6.795
  166   1HB   SER  25          2HB       SER  25   2.446  -6.531   6.929
  167   2HB   SER  25          1HB       SER  25   3.932  -6.633   5.983
  168    HG   SER  25           HG       SER  25   5.089  -6.240   7.903
  169    H    ALA  26           H        ALA  26   4.156  -2.746   5.103
  170    HA   ALA  26           HA       ALA  26   2.044  -3.397   3.079
  171   1HB   ALA  26          1HB       ALA  26   3.416  -0.858   3.977
  172   2HB   ALA  26          2HB       ALA  26   1.693  -1.233   4.002
  173   3HB   ALA  26          3HB       ALA  26   2.508  -0.930   2.468
  174    H    ALA  27           H        ALA  27   2.703  -2.904   0.795
  175    HA   ALA  27           HA       ALA  27   5.547  -3.698   0.342
  176   1HB   ALA  27          1HB       ALA  27   4.494  -5.180  -1.009
  177   2HB   ALA  27          2HB       ALA  27   4.038  -3.822  -2.036
  178   3HB   ALA  27          3HB       ALA  27   2.949  -4.367  -0.760
  179    H    CYS  28           H        CYS  28   3.036  -1.671  -1.167
  180    HA   CYS  28           HA       CYS  28   3.172   0.471  -2.138
  181   1HB   CYS  28          2HB       CYS  28   5.935   0.570  -0.906
  182   2HB   CYS  28          1HB       CYS  28   4.859   1.919  -1.248
  183    H    THR  29           H        THR  29   3.791   1.168  -4.177
  184    HA   THR  29           HA       THR  29   6.011  -0.359  -5.499
  185    HB   THR  29           HB       THR  29   3.691  -0.781  -6.298
  186    HG1  THR  29           1HG      THR  29   4.996   0.777  -8.244
  187   1HG2  THR  29          1HG2      THR  29   2.217   0.893  -6.627
  188   2HG2  THR  29          2HG2      THR  29   3.363   1.793  -7.621
  189   3HG2  THR  29          3HG2      THR  29   3.395   1.961  -5.865
  190    H    LEU  30           H        LEU  30   7.583   1.288  -4.821
  191    HA   LEU  30           HA       LEU  30   7.341   3.833  -6.391
  192   1HB   LEU  30          2HB       LEU  30   8.719   4.752  -4.395
  193   2HB   LEU  30          1HB       LEU  30   7.008   4.423  -4.117
  194    HG   LEU  30           HG       LEU  30   8.872   2.156  -3.651
  195   1HD1  LEU  30          1HD1      LEU  30   8.982   4.743  -2.171
  196   2HD1  LEU  30          2HD1      LEU  30  10.252   3.552  -2.447
  197   3HD1  LEU  30          3HD1      LEU  30   9.026   3.262  -1.213
  198   1HD2  LEU  30          1HD2      LEU  30   7.302   1.717  -1.839
  199   2HD2  LEU  30          2HD2      LEU  30   6.389   2.085  -3.303
  200   3HD2  LEU  30          3HD2      LEU  30   6.570   3.308  -2.045
  201    H    LYS  31           H        LYS  31   9.215   4.430  -7.509
  202    HA   LYS  31           HA       LYS  31  11.599   2.632  -7.188
  203   1HB   LYS  31          2HB       LYS  31   9.852   2.780  -9.309
  204   2HB   LYS  31          1HB       LYS  31  11.121   3.897  -9.809
  205   1HG   LYS  31          2HG       LYS  31  11.783   1.742 -10.613
  206   2HG   LYS  31          1HG       LYS  31  12.792   2.072  -9.205
  207   1HD   LYS  31          2HD       LYS  31  12.006  -0.177  -8.952
  208   2HD   LYS  31          1HD       LYS  31  11.071   0.806  -7.824
  209   1HE   LYS  31          2HE       LYS  31   9.441  -0.547  -8.920
  210   2HE   LYS  31          1HE       LYS  31   9.344   1.011  -9.763
  211   1HZ   LYS  31          1HZ       LYS  31  10.763  -1.445 -10.611
  212   2HZ   LYS  31          2HZ       LYS  31  11.154   0.077 -11.257
  213   3HZ   LYS  31          3HZ       LYS  31   9.594  -0.561 -11.463
  214    H    ALA  32           H        ALA  32  10.515   5.839  -8.366
  215    HA   ALA  32           HA       ALA  32  13.262   6.895  -7.830
  216   1HB   ALA  32          1HB       ALA  32  11.618   8.778  -9.166
  217   2HB   ALA  32          2HB       ALA  32  11.256   7.207  -9.882
  218   3HB   ALA  32          3HB       ALA  32  12.913   7.809  -9.866
  219    H    CYS  33           H        CYS  33  10.180   8.628  -7.934
  220    HA   CYS  33           HA       CYS  33   9.163  10.065  -6.359
  221   1HB   CYS  33          2HB       CYS  33  10.402   7.829  -4.797
  222   2HB   CYS  33          1HB       CYS  33   9.749   9.215  -3.918
  223    HA   PRO  34           HA       PRO  34  12.155  13.042  -5.140
  224   1HB   PRO  34          2HB       PRO  34  10.844  14.338  -3.128
  225   2HB   PRO  34          1HB       PRO  34  10.367  14.484  -4.832
  226   1HG   PRO  34          2HG       PRO  34   9.150  12.875  -2.657
  227   2HG   PRO  34          1HG       PRO  34   8.379  13.715  -4.010
  228   1HD   PRO  34          2HD       PRO  34   8.845  11.000  -3.899
  229   2HD   PRO  34          1HD       PRO  34   8.599  11.928  -5.396
  230    H    GLN  35           H        GLN  35  13.096  10.754  -4.122
  231    HA   GLN  35           HA       GLN  35  14.413   9.861  -2.372
  232   1HB   GLN  35          2HB       GLN  35  15.290  12.186  -2.447
  233   2HB   GLN  35          1HB       GLN  35  14.036  12.683  -1.312
  234   1HG   GLN  35          2HG       GLN  35  15.670  10.350  -0.484
  235   2HG   GLN  35          1HG       GLN  35  16.508  11.902  -0.527
  236   1HE2  GLN  35          1HE2      GLN  35  16.505  12.698   1.590
  237   2HE2  GLN  35          2HE2      GLN  35  15.148  12.730   2.610
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1   7.982   0.178   9.817
    2   2H    GLU   1          2HT       GLU   1   6.985   0.073   8.446
    3   3H    GLU   1          3HT       GLU   1   6.469  -0.580   9.928
    4    HA   GLU   1           HA       GLU   1   6.293   1.600  10.905
    5   1HB   GLU   1          2HB       GLU   1   7.747   2.210   8.349
    6   2HB   GLU   1          1HB       GLU   1   6.781   3.476   9.110
    7   1HG   GLU   1          2HG       GLU   1   8.487   3.869  10.522
    8   2HG   GLU   1          1HG       GLU   1   8.253   2.253  11.190
    9    H    VAL   2           H        VAL   2   4.412  -0.142   9.881
   10    HA   VAL   2           HA       VAL   2   2.708   1.596   8.127
   11    HB   VAL   2           HB       VAL   2   2.651  -1.416   8.494
   12   1HG1  VAL   2          1HG1      VAL   2   1.101   0.568   6.924
   13   2HG1  VAL   2          2HG1      VAL   2   0.612  -1.010   7.544
   14   3HG1  VAL   2          3HG1      VAL   2   1.569  -0.901   6.067
   15   1HG2  VAL   2          1HG2      VAL   2   3.719   0.031   6.075
   16   2HG2  VAL   2          2HG2      VAL   2   3.987  -1.641   6.568
   17   3HG2  VAL   2          3HG2      VAL   2   4.774  -0.327   7.443
   18    H    THR   3           H        THR   3   0.308   1.160   8.504
   19    HA   THR   3           HA       THR   3  -0.577   0.100  11.066
   20    HB   THR   3           HB       THR   3   0.512   2.150  11.832
   21    HG1  THR   3           1HG      THR   3  -1.155   2.785  12.979
   22   1HG2  THR   3          1HG2      THR   3   0.292   3.201   9.483
   23   2HG2  THR   3          2HG2      THR   3   0.146   4.276  10.873
   24   3HG2  THR   3          3HG2      THR   3  -1.300   3.737  10.021
   25    H    CYS   4           H        CYS   4  -1.794  -0.847   9.096
   26    HA   CYS   4           HA       CYS   4  -4.303   0.705   8.703
   27   1HB   CYS   4          2HB       CYS   4  -4.053   0.186   6.211
   28   2HB   CYS   4          1HB       CYS   4  -2.923   1.384   6.851
   29    H    GLU   5           H        GLU   5  -5.835  -0.787   7.284
   30    HA   GLU   5           HA       GLU   5  -5.885  -3.437   8.592
   31   1HB   GLU   5          2HB       GLU   5  -7.716  -1.529   7.351
   32   2HB   GLU   5          1HB       GLU   5  -8.027  -3.181   6.817
   33   1HG   GLU   5          2HG       GLU   5  -9.298  -2.607   8.878
   34   2HG   GLU   5          1HG       GLU   5  -8.170  -3.938   9.140
   35    HA   PRO   6           HA       PRO   6  -4.218  -5.528   5.101
   36   1HB   PRO   6          2HB       PRO   6  -5.423  -7.971   5.388
   37   2HB   PRO   6          1HB       PRO   6  -4.096  -7.416   6.428
   38   1HG   PRO   6          2HG       PRO   6  -7.024  -7.457   6.959
   39   2HG   PRO   6          1HG       PRO   6  -5.677  -7.817   8.048
   40   1HD   PRO   6          2HD       PRO   6  -7.032  -5.455   8.075
   41   2HD   PRO   6          1HD       PRO   6  -5.325  -5.608   8.558
   42    H    GLY   7           H        GLY   7  -5.094  -4.571   3.243
   43   1HA   GLY   7          2HA       GLY   7  -6.390  -5.261   1.223
   44   2HA   GLY   7          1HA       GLY   7  -7.718  -5.671   2.313
   45    H    THR   8           H        THR   8  -5.618  -2.784   2.163
   46    HA   THR   8           HA       THR   8  -7.980  -1.124   1.442
   47    HB   THR   8           HB       THR   8  -6.292  -0.864   3.947
   48    HG1  THR   8           1HG      THR   8  -7.876  -1.970   4.721
   49   1HG2  THR   8          1HG2      THR   8  -8.430   0.961   2.815
   50   2HG2  THR   8          2HG2      THR   8  -6.724   1.353   3.033
   51   3HG2  THR   8          3HG2      THR   8  -7.756   1.095   4.440
   52    H    THR   9           H        THR   9  -4.495  -1.347   2.024
   53    HA   THR   9           HA       THR   9  -2.704  -0.004   1.261
   54    HB   THR   9           HB       THR   9  -3.574  -1.395  -0.674
   55    HG1  THR   9           1HG      THR   9  -1.783   0.389  -0.615
   56   1HG2  THR   9          1HG2      THR   9  -5.053   1.179  -1.170
   57   2HG2  THR   9          2HG2      THR   9  -5.663  -0.474  -1.221
   58   3HG2  THR   9          3HG2      THR   9  -4.615   0.120  -2.510
   59    H    PHE  10           H        PHE  10  -2.425   2.122  -0.356
   60    HA   PHE  10           HA       PHE  10  -4.370   4.189  -0.284
   61   1HB   PHE  10          2HB       PHE  10  -3.274   5.422   1.741
   62   2HB   PHE  10          1HB       PHE  10  -4.411   4.117   2.070
   63    HD1  PHE  10           1HD      PHE  10  -0.775   4.900   1.748
   64    HD2  PHE  10           2HD      PHE  10  -3.738   2.172   3.242
   65    HE1  PHE  10           1HE      PHE  10   0.981   3.680   3.008
   66    HE2  PHE  10           2HE      PHE  10  -1.984   0.955   4.495
   67    HZ   PHE  10           HZ       PHE  10   0.374   1.705   4.384
   68    H    LYS  11           H        LYS  11  -2.910   6.468   0.078
   69    HA   LYS  11           HA       LYS  11  -0.734   6.152  -1.945
   70   1HB   LYS  11          2HB       LYS  11  -2.906   7.984  -1.445
   71   2HB   LYS  11          1HB       LYS  11  -1.380   8.869  -1.457
   72   1HG   LYS  11          2HG       LYS  11  -1.012   8.468  -3.672
   73   2HG   LYS  11          1HG       LYS  11  -1.682   6.838  -3.591
   74   1HD   LYS  11          2HD       LYS  11  -3.966   8.068  -3.252
   75   2HD   LYS  11          1HD       LYS  11  -3.123   9.456  -3.940
   76   1HE   LYS  11          2HE       LYS  11  -2.769   6.891  -5.403
   77   2HE   LYS  11          1HE       LYS  11  -4.386   7.619  -5.482
   78   1HZ   LYS  11          1HZ       LYS  11  -2.961   8.551  -7.196
   79   2HZ   LYS  11          2HZ       LYS  11  -1.817   9.015  -6.029
   80   3HZ   LYS  11          3HZ       LYS  11  -3.353   9.740  -6.052
   81    H    ASP  12           H        ASP  12   1.261   6.011  -1.004
   82    HA   ASP  12           HA       ASP  12   1.856   7.811   1.325
   83   1HB   ASP  12          2HB       ASP  12   1.839   5.028   1.172
   84   2HB   ASP  12          1HB       ASP  12   3.548   5.442   0.992
   85    H    LYS  13           H        LYS  13   3.832   8.946   1.202
   86    HA   LYS  13           HA       LYS  13   5.458  10.153  -0.049
   87   1HB   LYS  13          2HB       LYS  13   7.303   8.630  -0.597
   88   2HB   LYS  13          1HB       LYS  13   6.554   8.155   0.932
   89   1HG   LYS  13          2HG       LYS  13   5.361   6.365  -0.102
   90   2HG   LYS  13          1HG       LYS  13   5.743   6.962  -1.716
   91   1HD   LYS  13          2HD       LYS  13   8.233   6.651  -0.958
   92   2HD   LYS  13          1HD       LYS  13   7.540   5.579   0.259
   93   1HE   LYS  13          2HE       LYS  13   6.240   4.607  -1.875
   94   2HE   LYS  13          1HE       LYS  13   7.682   5.228  -2.705
   95   1HZ   LYS  13          1HZ       LYS  13   9.033   4.122  -0.965
   96   2HZ   LYS  13          2HZ       LYS  13   8.160   3.028  -1.929
   97   3HZ   LYS  13          3HZ       LYS  13   7.621   3.402  -0.362
   98    H    CYS  14           H        CYS  14   6.830   8.953  -2.435
   99    HA   CYS  14           HA       CYS  14   4.941   9.945  -4.443
  100   1HB   CYS  14          2HB       CYS  14   6.844   9.833  -5.876
  101   2HB   CYS  14          1HB       CYS  14   7.482  10.272  -4.288
  102    H    ASN  15           H        ASN  15   3.975   7.520  -3.156
  103    HA   ASN  15           HA       ASN  15   3.355   5.945  -5.502
  104   1HB   ASN  15          2HB       ASN  15   5.671   5.264  -3.787
  105   2HB   ASN  15          1HB       ASN  15   4.597   3.915  -4.157
  106   1HD2  ASN  15          1HD2      ASN  15   7.375   5.187  -5.268
  107   2HD2  ASN  15          2HD2      ASN  15   7.197   4.925  -6.944
  108    H    THR  16           H        THR  16   2.727   3.516  -4.311
  109    HA   THR  16           HA       THR  16   0.814   4.314  -2.139
  110    HB   THR  16           HB       THR  16   0.564   2.904  -4.733
  111    HG1  THR  16           1HG      THR  16  -1.718   3.620  -4.049
  112   1HG2  THR  16          1HG2      THR  16  -0.971   1.911  -2.312
  113   2HG2  THR  16          2HG2      THR  16   0.258   0.997  -3.186
  114   3HG2  THR  16          3HG2      THR  16  -1.254   1.428  -3.985
  115    H    CYS  17           H        CYS  17   0.129   2.321  -0.831
  116    HA   CYS  17           HA       CYS  17   2.299   0.289  -0.614
  117   1HB   CYS  17          2HB       CYS  17   2.135   2.559   0.948
  118   2HB   CYS  17          1HB       CYS  17   1.312   1.354   1.940
  119    H    ARG  18           H        ARG  18   1.062  -1.548  -0.996
  120    HA   ARG  18           HA       ARG  18  -1.718  -1.809  -0.242
  121   1HB   ARG  18          2HB       ARG  18  -0.796  -3.024  -2.113
  122   2HB   ARG  18          1HB       ARG  18   0.456  -3.742  -1.098
  123   1HG   ARG  18          2HG       ARG  18  -1.259  -5.410  -1.419
  124   2HG   ARG  18          1HG       ARG  18  -1.379  -4.840   0.245
  125   1HD   ARG  18          2HD       ARG  18  -3.567  -4.408  -0.185
  126   2HD   ARG  18          1HD       ARG  18  -3.010  -3.086  -1.230
  127    HE   ARG  18           HE       ARG  18  -4.050  -5.617  -2.162
  128   1HH1  ARG  18          1HH2      ARG  18  -3.267  -2.675  -3.292
  129   2HH1  ARG  18          2HH2      ARG  18  -2.465  -3.190  -4.739
  130   1HH2  ARG  18          1HH1      ARG  18  -2.331  -6.523  -3.793
  131   2HH2  ARG  18          2HH1      ARG  18  -1.934  -5.370  -5.021
  132    H    CYS  19           H        CYS  19  -2.313  -1.928   1.896
  133    HA   CYS  19           HA       CYS  19  -0.686  -2.582   4.105
  134   1HB   CYS  19          2HB       CYS  19  -3.110  -1.606   3.838
  135   2HB   CYS  19          1HB       CYS  19  -3.609  -3.296   3.962
  136    H    GLY  20           H        GLY  20   0.227  -4.507   4.700
  137   1HA   GLY  20          2HA       GLY  20  -0.119  -6.922   3.229
  138   2HA   GLY  20          1HA       GLY  20   0.642  -6.813   4.820
  139    H    SER  21           H        SER  21  -0.741  -9.039   4.560
  140    HA   SER  21           HA       SER  21  -3.581  -8.818   5.158
  141   1HB   SER  21          2HB       SER  21  -1.773 -10.753   4.314
  142   2HB   SER  21          1HB       SER  21  -2.191 -11.277   5.943
  143    HG   SER  21           HG       SER  21  -4.131 -10.479   4.041
  144    H    ASP  22           H        ASP  22  -0.804  -8.274   6.998
  145    HA   ASP  22           HA       ASP  22  -2.020  -9.185   9.552
  146   1HB   ASP  22          2HB       ASP  22   0.429  -9.507   8.712
  147   2HB   ASP  22          1HB       ASP  22   0.639  -7.814   9.174
  148    H    GLY  23           H        GLY  23  -2.153  -6.480   7.617
  149   1HA   GLY  23          2HA       GLY  23  -3.212  -4.418   8.144
  150   2HA   GLY  23          1HA       GLY  23  -3.086  -4.825   9.857
  151    H    LYS  24           H        LYS  24  -0.101  -5.475   9.165
  152    HA   LYS  24           HA       LYS  24   0.805  -2.646   9.511
  153   1HB   LYS  24          2HB       LYS  24   1.526  -5.300  10.605
  154   2HB   LYS  24          1HB       LYS  24   2.893  -4.241  10.260
  155   1HG   LYS  24          2HG       LYS  24   2.076  -2.535  11.701
  156   2HG   LYS  24          1HG       LYS  24   0.481  -3.282  11.805
  157   1HD   LYS  24          2HD       LYS  24   2.996  -4.644  12.794
  158   2HD   LYS  24          1HD       LYS  24   1.982  -3.639  13.831
  159   1HE   LYS  24          2HE       LYS  24   0.523  -5.689  12.253
  160   2HE   LYS  24          1HE       LYS  24   1.589  -6.318  13.524
  161   1HZ   LYS  24          1HZ       LYS  24   0.322  -4.051  14.543
  162   2HZ   LYS  24          2HZ       LYS  24   0.104  -5.666  15.023
  163   3HZ   LYS  24          3HZ       LYS  24  -0.886  -4.995  13.818
  164    H    SER  25           H        SER  25   3.010  -5.222   8.695
  165    HA   SER  25           HA       SER  25   4.575  -4.116   6.804
  166   1HB   SER  25          2HB       SER  25   3.270  -6.852   6.723
  167   2HB   SER  25          1HB       SER  25   4.682  -6.410   5.764
  168    HG   SER  25           HG       SER  25   5.703  -7.032   7.507
  169    H    ALA  26           H        ALA  26   4.085  -2.829   5.096
  170    HA   ALA  26           HA       ALA  26   1.735  -3.562   3.379
  171   1HB   ALA  26          1HB       ALA  26   2.840  -1.034   4.514
  172   2HB   ALA  26          2HB       ALA  26   1.160  -1.508   4.265
  173   3HB   ALA  26          3HB       ALA  26   2.127  -0.940   2.904
  174    H    ALA  27           H        ALA  27   2.075  -3.525   1.118
  175    HA   ALA  27           HA       ALA  27   4.882  -3.732   0.230
  176   1HB   ALA  27          1HB       ALA  27   2.498  -3.804  -1.580
  177   2HB   ALA  27          2HB       ALA  27   2.685  -5.093  -0.390
  178   3HB   ALA  27          3HB       ALA  27   3.941  -4.817  -1.597
  179    H    CYS  28           H        CYS  28   5.859  -1.730  -0.105
  180    HA   CYS  28           HA       CYS  28   4.224   0.434  -1.315
  181   1HB   CYS  28          2HB       CYS  28   6.529   0.172   0.475
  182   2HB   CYS  28          1HB       CYS  28   6.785   1.388  -0.775
  183    H    THR  29           H        THR  29   4.257   0.458  -3.539
  184    HA   THR  29           HA       THR  29   6.295  -0.843  -5.122
  185    HB   THR  29           HB       THR  29   4.045  -0.571  -5.951
  186    HG1  THR  29           1HG      THR  29   4.939  -0.279  -7.809
  187   1HG2  THR  29          1HG2      THR  29   3.630   2.103  -6.473
  188   2HG2  THR  29          2HG2      THR  29   4.424   2.143  -4.899
  189   3HG2  THR  29          3HG2      THR  29   2.940   1.217  -5.114
  190    H    LEU  30           H        LEU  30   8.375  -0.007  -4.824
  191    HA   LEU  30           HA       LEU  30   8.811   2.914  -4.750
  192   1HB   LEU  30          2HB       LEU  30  10.822   0.649  -4.769
  193   2HB   LEU  30          1HB       LEU  30  11.038   2.274  -4.115
  194    HG   LEU  30           HG       LEU  30   8.734   1.205  -2.864
  195   1HD1  LEU  30          1HD1      LEU  30  10.980  -0.762  -3.216
  196   2HD1  LEU  30          2HD1      LEU  30   9.239  -1.043  -3.265
  197   3HD1  LEU  30          3HD1      LEU  30  10.044  -0.762  -1.721
  198   1HD2  LEU  30          1HD2      LEU  30  10.353   1.234  -0.859
  199   2HD2  LEU  30          2HD2      LEU  30  10.130   2.754  -1.725
  200   3HD2  LEU  30          3HD2      LEU  30  11.575   1.783  -2.008
  201    H    LYS  31           H        LYS  31   9.046   4.018  -6.646
  202    HA   LYS  31           HA       LYS  31  10.488   2.682  -8.901
  203   1HB   LYS  31          2HB       LYS  31   7.903   2.693  -8.996
  204   2HB   LYS  31          1HB       LYS  31   8.049   4.431  -9.255
  205   1HG   LYS  31          2HG       LYS  31   7.917   3.112 -11.388
  206   2HG   LYS  31          1HG       LYS  31   9.385   4.078 -11.250
  207   1HD   LYS  31          2HD       LYS  31   9.699   1.664 -12.040
  208   2HD   LYS  31          1HD       LYS  31  10.706   2.173 -10.685
  209   1HE   LYS  31          2HE       LYS  31   9.671  -0.066 -10.284
  210   2HE   LYS  31          1HE       LYS  31   9.108   1.131  -9.102
  211   1HZ   LYS  31          1HZ       LYS  31   7.723   0.396 -11.628
  212   2HZ   LYS  31          2HZ       LYS  31   7.200   1.580 -10.528
  213   3HZ   LYS  31          3HZ       LYS  31   7.234  -0.056 -10.068
  214    H    ALA  32           H        ALA  32   9.181   5.771  -7.650
  215    HA   ALA  32           HA       ALA  32  11.638   7.197  -7.777
  216   1HB   ALA  32          1HB       ALA  32   9.888   7.250 -10.247
  217   2HB   ALA  32          2HB       ALA  32  11.604   6.853 -10.147
  218   3HB   ALA  32          3HB       ALA  32  11.068   8.514  -9.905
  219    H    CYS  33           H        CYS  33  11.340   9.417  -7.150
  220    HA   CYS  33           HA       CYS  33   8.497  10.202  -6.604
  221   1HB   CYS  33          2HB       CYS  33  10.898  10.812  -4.859
  222   2HB   CYS  33          1HB       CYS  33   9.194  10.989  -4.442
  223    HA   PRO  34           HA       PRO  34   9.580  13.885  -8.746
  224   1HB   PRO  34          2HB       PRO  34   7.632  15.537  -7.757
  225   2HB   PRO  34          1HB       PRO  34   7.307  14.267  -8.954
  226   1HG   PRO  34          2HG       PRO  34   6.839  14.263  -6.015
  227   2HG   PRO  34          1HG       PRO  34   5.850  13.584  -7.317
  228   1HD   PRO  34          2HD       PRO  34   7.485  12.087  -5.724
  229   2HD   PRO  34          1HD       PRO  34   7.047  11.635  -7.388
  230    H    GLN  35           H        GLN  35   8.251  15.473  -5.915
  231    HA   GLN  35           HA       GLN  35  10.240  17.336  -5.467
  232   1HB   GLN  35          2HB       GLN  35   8.075  16.079  -4.015
  233   2HB   GLN  35          1HB       GLN  35   9.408  16.438  -2.917
  234   1HG   GLN  35          2HG       GLN  35   9.417  18.755  -4.196
  235   2HG   GLN  35          1HG       GLN  35   7.747  18.317  -4.556
  236   1HE2  GLN  35          1HE2      GLN  35   9.948  19.289  -1.992
  237   2HE2  GLN  35          2HE2      GLN  35   8.771  19.425  -0.777
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1   6.176  -1.694  12.103
    2   2H    GLU   1          2HT       GLU   1   4.660  -1.715  11.336
    3   3H    GLU   1          3HT       GLU   1   4.814  -1.081  12.904
    4    HA   GLU   1           HA       GLU   1   5.812   0.859  12.198
    5   1HB   GLU   1          2HB       GLU   1   6.649   0.717   9.641
    6   2HB   GLU   1          1HB       GLU   1   7.660   0.204  10.987
    7   1HG   GLU   1          2HG       GLU   1   7.450  -2.023  10.474
    8   2HG   GLU   1          1HG       GLU   1   5.804  -1.841   9.875
    9    H    VAL   2           H        VAL   2   4.288  -0.888   9.445
   10    HA   VAL   2           HA       VAL   2   2.839   1.381   8.468
   11    HB   VAL   2           HB       VAL   2   2.387  -1.615   8.269
   12   1HG1  VAL   2          1HG1      VAL   2   0.813  -1.242   6.591
   13   2HG1  VAL   2          2HG1      VAL   2   1.401   0.387   6.260
   14   3HG1  VAL   2          3HG1      VAL   2   0.443   0.073   7.707
   15   1HG2  VAL   2          1HG2      VAL   2   4.143  -1.570   6.860
   16   2HG2  VAL   2          2HG2      VAL   2   4.357   0.151   7.179
   17   3HG2  VAL   2          3HG2      VAL   2   3.311  -0.379   5.861
   18    H    THR   3           H        THR   3   0.571   1.887   8.739
   19    HA   THR   3           HA       THR   3  -0.775   0.571  11.070
   20    HB   THR   3           HB       THR   3   0.409   2.738  11.624
   21    HG1  THR   3           1HG      THR   3  -2.134   3.526  12.008
   22   1HG2  THR   3          1HG2      THR   3  -1.636   4.429  10.446
   23   2HG2  THR   3          2HG2      THR   3  -0.748   3.548   9.202
   24   3HG2  THR   3          3HG2      THR   3   0.120   4.570  10.347
   25    H    CYS   4           H        CYS   4  -1.693  -0.396   8.859
   26    HA   CYS   4           HA       CYS   4  -4.153   1.182   8.211
   27   1HB   CYS   4          2HB       CYS   4  -3.769   0.409   5.824
   28   2HB   CYS   4          1HB       CYS   4  -2.565   1.556   6.421
   29    H    GLU   5           H        GLU   5  -5.555  -0.472   6.708
   30    HA   GLU   5           HA       GLU   5  -5.886  -2.906   8.382
   31   1HB   GLU   5          2HB       GLU   5  -7.705  -1.198   7.726
   32   2HB   GLU   5          1HB       GLU   5  -7.626  -1.916   6.115
   33   1HG   GLU   5          2HG       GLU   5  -8.294  -4.057   6.930
   34   2HG   GLU   5          1HG       GLU   5  -8.041  -3.576   8.608
   35    HA   PRO   6           HA       PRO   6  -3.977  -5.411   5.303
   36   1HB   PRO   6          2HB       PRO   6  -5.052  -7.825   6.037
   37   2HB   PRO   6          1HB       PRO   6  -3.747  -7.029   6.937
   38   1HG   PRO   6          2HG       PRO   6  -6.667  -7.102   7.513
   39   2HG   PRO   6          1HG       PRO   6  -5.296  -7.222   8.626
   40   1HD   PRO   6          2HD       PRO   6  -6.730  -4.941   8.297
   41   2HD   PRO   6          1HD       PRO   6  -5.001  -4.943   8.720
   42    H    GLY   7           H        GLY   7  -4.794  -5.051   3.265
   43   1HA   GLY   7          2HA       GLY   7  -6.083  -5.986   1.411
   44   2HA   GLY   7          1HA       GLY   7  -7.366  -6.387   2.560
   45    H    THR   8           H        THR   8  -5.565  -3.353   2.072
   46    HA   THR   8           HA       THR   8  -8.031  -2.020   1.099
   47    HB   THR   8           HB       THR   8  -6.590  -0.959   3.526
   48    HG1  THR   8           1HG      THR   8  -8.925  -2.490   3.730
   49   1HG2  THR   8          1HG2      THR   8  -9.020  -0.352   1.981
   50   2HG2  THR   8          2HG2      THR   8  -8.066   0.691   3.036
   51   3HG2  THR   8          3HG2      THR   8  -9.271  -0.397   3.725
   52    H    THR   9           H        THR   9  -4.559  -1.951   1.674
   53    HA   THR   9           HA       THR   9  -2.863  -0.522   0.891
   54    HB   THR   9           HB       THR   9  -3.840  -1.777  -1.114
   55    HG1  THR   9           1HG      THR   9  -2.804  -0.173  -2.582
   56   1HG2  THR   9          1HG2      THR   9  -5.279   0.856  -1.340
   57   2HG2  THR   9          2HG2      THR   9  -5.912  -0.775  -1.553
   58   3HG2  THR   9          3HG2      THR   9  -4.872  -0.064  -2.786
   59    H    PHE  10           H        PHE  10  -2.575   1.753  -0.325
   60    HA   PHE  10           HA       PHE  10  -4.604   3.757  -0.106
   61   1HB   PHE  10          2HB       PHE  10  -3.732   4.782   2.054
   62   2HB   PHE  10          1HB       PHE  10  -4.583   3.252   2.255
   63    HD1  PHE  10           1HD      PHE  10  -1.286   4.904   2.246
   64    HD2  PHE  10           2HD      PHE  10  -3.392   1.211   2.858
   65    HE1  PHE  10           1HE      PHE  10   0.740   3.919   3.285
   66    HE2  PHE  10           2HE      PHE  10  -1.366   0.227   3.891
   67    HZ   PHE  10           HZ       PHE  10   0.698   1.581   4.108
   68    H    LYS  11           H        LYS  11  -3.141   5.987   0.627
   69    HA   LYS  11           HA       LYS  11  -0.890   5.952  -1.354
   70   1HB   LYS  11          2HB       LYS  11  -3.194   7.613  -0.882
   71   2HB   LYS  11          1HB       LYS  11  -1.735   8.585  -0.682
   72   1HG   LYS  11          2HG       LYS  11  -1.105   8.346  -2.881
   73   2HG   LYS  11          1HG       LYS  11  -1.817   6.737  -3.019
   74   1HD   LYS  11          2HD       LYS  11  -3.278   8.035  -4.311
   75   2HD   LYS  11          1HD       LYS  11  -4.092   7.999  -2.747
   76   1HE   LYS  11          2HE       LYS  11  -4.081  10.305  -3.508
   77   2HE   LYS  11          1HE       LYS  11  -2.890  10.182  -2.198
   78   1HZ   LYS  11          1HZ       LYS  11  -1.935   9.502  -4.855
   79   2HZ   LYS  11          2HZ       LYS  11  -1.166  10.371  -3.615
   80   3HZ   LYS  11          3HZ       LYS  11  -2.302  11.141  -4.617
   81    H    ASP  12           H        ASP  12   1.003   7.289  -0.795
   82    HA   ASP  12           HA       ASP  12   1.272   8.126   2.037
   83   1HB   ASP  12          2HB       ASP  12   1.850   5.594   1.489
   84   2HB   ASP  12          1HB       ASP  12   3.359   6.301   0.901
   85    H    LYS  13           H        LYS  13   2.930   7.677  -1.082
   86    HA   LYS  13           HA       LYS  13   4.071  10.423  -0.800
   87   1HB   LYS  13          2HB       LYS  13   5.653   7.981  -1.655
   88   2HB   LYS  13          1HB       LYS  13   6.281   9.591  -1.291
   89   1HG   LYS  13          2HG       LYS  13   5.078   9.131   1.044
   90   2HG   LYS  13          1HG       LYS  13   5.350   7.453   0.574
   91   1HD   LYS  13          2HD       LYS  13   7.720   7.813   0.363
   92   2HD   LYS  13          1HD       LYS  13   7.528   9.556   0.550
   93   1HE   LYS  13          2HE       LYS  13   6.626   9.159   2.863
   94   2HE   LYS  13          1HE       LYS  13   7.017   7.439   2.667
   95   1HZ   LYS  13          1HZ       LYS  13   9.021   8.099   3.434
   96   2HZ   LYS  13          2HZ       LYS  13   8.801   9.717   2.964
   97   3HZ   LYS  13          3HZ       LYS  13   9.274   8.555   1.819
   98    H    CYS  14           H        CYS  14   5.757   9.543  -3.254
   99    HA   CYS  14           HA       CYS  14   3.881  10.463  -5.261
  100   1HB   CYS  14          2HB       CYS  14   5.812  10.747  -6.464
  101   2HB   CYS  14          1HB       CYS  14   6.590  10.444  -4.914
  102    H    ASN  15           H        ASN  15   4.399   7.440  -3.834
  103    HA   ASN  15           HA       ASN  15   3.131   6.043  -6.172
  104   1HB   ASN  15          2HB       ASN  15   5.403   5.368  -4.336
  105   2HB   ASN  15          1HB       ASN  15   4.427   4.055  -4.995
  106   1HD2  ASN  15          1HD2      ASN  15   3.852   4.981  -7.571
  107   2HD2  ASN  15          2HD2      ASN  15   5.299   5.176  -8.452
  108    H    THR  16           H        THR  16   2.514   3.672  -4.985
  109    HA   THR  16           HA       THR  16   0.649   4.445  -2.766
  110    HB   THR  16           HB       THR  16   0.465   2.685  -5.201
  111    HG1  THR  16           1HG      THR  16  -0.519   4.562  -5.513
  112   1HG2  THR  16          1HG2      THR  16  -0.139   1.234  -3.288
  113   2HG2  THR  16          2HG2      THR  16  -1.543   1.610  -4.286
  114   3HG2  THR  16          3HG2      THR  16  -1.305   2.445  -2.751
  115    H    CYS  17           H        CYS  17   0.045   2.456  -1.412
  116    HA   CYS  17           HA       CYS  17   2.223   0.452  -1.183
  117   1HB   CYS  17          2HB       CYS  17   2.154   2.835   0.271
  118   2HB   CYS  17          1HB       CYS  17   1.510   1.630   1.386
  119    H    ARG  18           H        ARG  18   0.995  -1.394  -1.268
  120    HA   ARG  18           HA       ARG  18  -1.744  -1.573  -0.385
  121   1HB   ARG  18          2HB       ARG  18   0.346  -3.182  -1.636
  122   2HB   ARG  18          1HB       ARG  18  -0.646  -4.137  -0.532
  123   1HG   ARG  18          2HG       ARG  18  -2.140  -2.272  -2.277
  124   2HG   ARG  18          1HG       ARG  18  -1.347  -3.611  -3.107
  125   1HD   ARG  18          2HD       ARG  18  -2.755  -4.369  -0.617
  126   2HD   ARG  18          1HD       ARG  18  -3.803  -3.823  -1.943
  127    HE   ARG  18           HE       ARG  18  -1.766  -5.593  -2.950
  128   1HH1  ARG  18          1HH1      ARG  18  -5.003  -5.321  -2.879
  129   2HH1  ARG  18          2HH1      ARG  18  -5.366  -6.985  -2.569
  130   1HH2  ARG  18          1HH2      ARG  18  -2.091  -7.831  -1.801
  131   2HH2  ARG  18          2HH2      ARG  18  -3.716  -8.407  -1.958
  132    H    CYS  19           H        CYS  19  -2.550  -2.311   1.583
  133    HA   CYS  19           HA       CYS  19  -0.708  -2.377   3.864
  134   1HB   CYS  19          2HB       CYS  19  -3.094  -1.420   3.708
  135   2HB   CYS  19          1HB       CYS  19  -3.648  -3.095   3.802
  136    H    GLY  20           H        GLY  20   0.472  -4.221   4.186
  137   1HA   GLY  20          2HA       GLY  20   0.005  -6.766   3.110
  138   2HA   GLY  20          1HA       GLY  20   0.915  -6.491   4.599
  139    H    SER  21           H        SER  21  -0.713  -8.758   4.268
  140    HA   SER  21           HA       SER  21  -3.343  -8.401   5.437
  141   1HB   SER  21          2HB       SER  21  -1.592 -10.490   4.417
  142   2HB   SER  21          1HB       SER  21  -2.448 -11.023   5.861
  143    HG   SER  21           HG       SER  21  -3.611  -9.828   3.557
  144    H    ASP  22           H        ASP  22  -0.273  -8.121   6.761
  145    HA   ASP  22           HA       ASP  22  -0.932  -9.284   9.399
  146   1HB   ASP  22          2HB       ASP  22   1.350  -8.990   7.894
  147   2HB   ASP  22          1HB       ASP  22   1.497  -7.643   9.026
  148    H    GLY  23           H        GLY  23  -1.686  -6.463   7.824
  149   1HA   GLY  23          2HA       GLY  23  -2.659  -4.497   8.693
  150   2HA   GLY  23          1HA       GLY  23  -2.337  -5.114  10.314
  151    H    LYS  24           H        LYS  24   0.256  -5.294  10.641
  152    HA   LYS  24           HA       LYS  24   1.219  -2.515  10.332
  153   1HB   LYS  24          2HB       LYS  24   2.599  -4.859  11.654
  154   2HB   LYS  24          1HB       LYS  24   2.762  -3.145  12.036
  155   1HG   LYS  24          2HG       LYS  24   0.365  -4.924  12.537
  156   2HG   LYS  24          1HG       LYS  24   1.356  -4.092  13.736
  157   1HD   LYS  24          2HD       LYS  24   0.502  -2.063  12.010
  158   2HD   LYS  24          1HD       LYS  24  -0.915  -3.092  12.218
  159   1HE   LYS  24          2HE       LYS  24  -0.329  -3.013  14.759
  160   2HE   LYS  24          1HE       LYS  24   0.645  -1.595  14.322
  161   1HZ   LYS  24          1HZ       LYS  24  -2.249  -2.024  13.833
  162   2HZ   LYS  24          2HZ       LYS  24  -1.356  -0.796  13.070
  163   3HZ   LYS  24          3HZ       LYS  24  -1.527  -0.800  14.760
  164    H    SER  25           H        SER  25   1.177  -3.567   7.818
  165    HA   SER  25           HA       SER  25   4.005  -3.586   7.074
  166   1HB   SER  25          2HB       SER  25   2.284  -6.064   6.723
  167   2HB   SER  25          1HB       SER  25   3.926  -5.867   6.107
  168    HG   SER  25           HG       SER  25   4.665  -5.732   8.207
  169    H    ALA  26           H        ALA  26   4.240  -3.225   4.782
  170    HA   ALA  26           HA       ALA  26   1.907  -3.391   3.019
  171   1HB   ALA  26          1HB       ALA  26   2.069  -1.190   4.635
  172   2HB   ALA  26          2HB       ALA  26   1.272  -1.196   3.062
  173   3HB   ALA  26          3HB       ALA  26   2.934  -0.624   3.207
  174    H    ALA  27           H        ALA  27   2.488  -3.084   0.816
  175    HA   ALA  27           HA       ALA  27   5.440  -2.964   0.304
  176   1HB   ALA  27          1HB       ALA  27   4.282  -3.929  -1.965
  177   2HB   ALA  27          2HB       ALA  27   3.112  -4.460  -0.757
  178   3HB   ALA  27          3HB       ALA  27   4.800  -4.957  -0.630
  179    H    CYS  28           H        CYS  28   6.136  -1.132  -0.764
  180    HA   CYS  28           HA       CYS  28   4.064   0.631  -1.950
  181   1HB   CYS  28          2HB       CYS  28   6.734   0.885  -0.703
  182   2HB   CYS  28          1HB       CYS  28   6.453   1.976  -2.060
  183    H    THR  29           H        THR  29   3.911   0.901  -4.163
  184    HA   THR  29           HA       THR  29   4.975  -0.777  -6.090
  185    HB   THR  29           HB       THR  29   4.399   0.961  -7.667
  186    HG1  THR  29           1HG      THR  29   4.051   3.125  -6.731
  187   1HG2  THR  29          1HG2      THR  29   2.528   1.943  -5.662
  188   2HG2  THR  29          2HG2      THR  29   2.712   0.191  -5.586
  189   3HG2  THR  29          3HG2      THR  29   2.221   0.961  -7.094
  190    H    LEU  30           H        LEU  30   6.590   1.865  -4.449
  191    HA   LEU  30           HA       LEU  30   8.796   2.696  -4.617
  192   1HB   LEU  30          2HB       LEU  30   8.791  -0.275  -4.911
  193   2HB   LEU  30          1HB       LEU  30  10.318   0.560  -5.206
  194    HG   LEU  30           HG       LEU  30   8.743   1.307  -2.773
  195   1HD1  LEU  30          1HD1      LEU  30   9.589  -1.376  -3.332
  196   2HD1  LEU  30          2HD1      LEU  30   8.862  -0.744  -1.856
  197   3HD1  LEU  30          3HD1      LEU  30  10.614  -0.719  -2.056
  198   1HD2  LEU  30          1HD2      LEU  30  11.074   2.191  -3.777
  199   2HD2  LEU  30          2HD2      LEU  30  11.687   0.831  -2.838
  200   3HD2  LEU  30          3HD2      LEU  30  10.775   2.114  -2.041
  201    H    LYS  31           H        LYS  31   7.980   3.848  -6.683
  202    HA   LYS  31           HA       LYS  31   9.134   2.680  -9.174
  203   1HB   LYS  31          2HB       LYS  31   6.736   3.846  -8.630
  204   2HB   LYS  31          1HB       LYS  31   7.649   5.250  -9.185
  205   1HG   LYS  31          2HG       LYS  31   7.043   4.530 -11.259
  206   2HG   LYS  31          1HG       LYS  31   8.378   3.395 -11.050
  207   1HD   LYS  31          2HD       LYS  31   5.454   2.885 -10.438
  208   2HD   LYS  31          1HD       LYS  31   6.409   2.144 -11.723
  209   1HE   LYS  31          2HE       LYS  31   7.888   1.108 -10.008
  210   2HE   LYS  31          1HE       LYS  31   6.862   1.803  -8.736
  211   1HZ   LYS  31          1HZ       LYS  31   6.182  -0.469  -9.347
  212   2HZ   LYS  31          2HZ       LYS  31   5.887   0.057 -10.934
  213   3HZ   LYS  31          3HZ       LYS  31   4.962   0.670  -9.648
  214    H    ALA  32           H        ALA  32   9.233   5.644  -7.176
  215    HA   ALA  32           HA       ALA  32  12.014   6.131  -7.688
  216   1HB   ALA  32          1HB       ALA  32  11.825   6.931  -9.796
  217   2HB   ALA  32          2HB       ALA  32  11.000   8.323  -9.098
  218   3HB   ALA  32          3HB       ALA  32  10.065   6.951  -9.692
  219    H    CYS  33           H        CYS  33   9.274   8.410  -7.705
  220    HA   CYS  33           HA       CYS  33   8.690  10.118  -6.177
  221   1HB   CYS  33          2HB       CYS  33  10.057   8.144  -4.314
  222   2HB   CYS  33          1HB       CYS  33   9.021   9.476  -3.793
  223    HA   PRO  34           HA       PRO  34  12.303  12.610  -5.915
  224   1HB   PRO  34          2HB       PRO  34  11.341  14.619  -4.329
  225   2HB   PRO  34          1HB       PRO  34  10.874  14.425  -6.030
  226   1HG   PRO  34          2HG       PRO  34   9.386  13.695  -3.565
  227   2HG   PRO  34          1HG       PRO  34   8.784  14.327  -5.104
  228   1HD   PRO  34          2HD       PRO  34   8.639  11.690  -4.351
  229   2HD   PRO  34          1HD       PRO  34   8.627  12.255  -6.037
  230    H    GLN  35           H        GLN  35  12.606  10.439  -4.238
  231    HA   GLN  35           HA       GLN  35  13.556   9.729  -2.186
  232   1HB   GLN  35          2HB       GLN  35  14.657  12.553  -2.369
  233   2HB   GLN  35          1HB       GLN  35  15.403  11.190  -1.535
  234   1HG   GLN  35          2HG       GLN  35  16.039  10.150  -3.507
  235   2HG   GLN  35          1HG       GLN  35  14.738  10.890  -4.439
  236   1HE2  GLN  35          1HE2      GLN  35  17.991  10.945  -4.309
  237   2HE2  GLN  35          2HE2      GLN  35  18.295  12.570  -4.695
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1   3.655   0.690  13.279
    2   2H    GLU   1          2HT       GLU   1   4.974  -0.046  12.500
    3   3H    GLU   1          3HT       GLU   1   3.394  -0.607  12.219
    4    HA   GLU   1           HA       GLU   1   3.604   2.180  11.630
    5   1HB   GLU   1          2HB       GLU   1   5.481   0.181  10.329
    6   2HB   GLU   1          1HB       GLU   1   5.131   1.773   9.653
    7   1HG   GLU   1          2HG       GLU   1   6.174   2.900  11.431
    8   2HG   GLU   1          1HG       GLU   1   6.064   1.504  12.503
    9    H    VAL   2           H        VAL   2   3.245   2.055   8.934
   10    HA   VAL   2           HA       VAL   2   1.575   1.561   7.333
   11    HB   VAL   2           HB       VAL   2   2.029  -1.167   8.580
   12   1HG1  VAL   2          1HG1      VAL   2   0.253  -1.576   7.167
   13   2HG1  VAL   2          2HG1      VAL   2   1.562  -1.659   5.987
   14   3HG1  VAL   2          3HG1      VAL   2   0.611  -0.182   6.146
   15   1HG2  VAL   2          1HG2      VAL   2   3.830  -1.412   7.035
   16   2HG2  VAL   2          2HG2      VAL   2   4.053   0.173   7.775
   17   3HG2  VAL   2          3HG2      VAL   2   3.365   0.046   6.156
   18    H    THR   3           H        THR   3   0.700   2.336  10.054
   19    HA   THR   3           HA       THR   3  -1.410   0.860  11.152
   20    HB   THR   3           HB       THR   3  -1.222   3.851  10.654
   21    HG1  THR   3           1HG      THR   3   0.256   3.803  12.122
   22   1HG2  THR   3          1HG2      THR   3  -2.775   4.139  12.418
   23   2HG2  THR   3          2HG2      THR   3  -2.624   2.460  12.934
   24   3HG2  THR   3          3HG2      THR   3  -3.461   2.848  11.431
   25    H    CYS   4           H        CYS   4  -2.523  -0.262   9.414
   26    HA   CYS   4           HA       CYS   4  -4.748   1.246   8.255
   27   1HB   CYS   4          2HB       CYS   4  -3.396   1.918   6.523
   28   2HB   CYS   4          1HB       CYS   4  -2.225   0.634   6.814
   29    H    GLU   5           H        GLU   5  -6.094  -0.301   6.837
   30    HA   GLU   5           HA       GLU   5  -6.242  -2.929   8.171
   31   1HB   GLU   5          2HB       GLU   5  -7.941  -1.689   5.982
   32   2HB   GLU   5          1HB       GLU   5  -8.398  -3.023   7.043
   33   1HG   GLU   5          2HG       GLU   5  -8.203  -1.517   9.001
   34   2HG   GLU   5          1HG       GLU   5  -7.796  -0.183   7.922
   35    HA   PRO   6           HA       PRO   6  -3.965  -4.930   4.953
   36   1HB   PRO   6          2HB       PRO   6  -4.744  -7.501   5.512
   37   2HB   PRO   6          1HB       PRO   6  -3.541  -6.617   6.473
   38   1HG   PRO   6          2HG       PRO   6  -6.442  -7.053   7.015
   39   2HG   PRO   6          1HG       PRO   6  -5.063  -7.123   8.127
   40   1HD   PRO   6          2HD       PRO   6  -6.704  -4.982   7.999
   41   2HD   PRO   6          1HD       PRO   6  -4.970  -4.831   8.370
   42    H    GLY   7           H        GLY   7  -4.566  -5.031   2.837
   43   1HA   GLY   7          2HA       GLY   7  -5.808  -6.001   1.003
   44   2HA   GLY   7          1HA       GLY   7  -7.133  -6.343   2.121
   45    H    THR   8           H        THR   8  -5.483  -3.227   1.957
   46    HA   THR   8           HA       THR   8  -7.764  -2.048   0.454
   47    HB   THR   8           HB       THR   8  -6.956  -1.217   3.256
   48    HG1  THR   8           1HG      THR   8  -8.341  -2.646   3.863
   49   1HG2  THR   8          1HG2      THR   8  -8.186   0.636   2.917
   50   2HG2  THR   8          2HG2      THR   8  -9.538  -0.319   2.311
   51   3HG2  THR   8          3HG2      THR   8  -8.265   0.204   1.209
   52    H    THR   9           H        THR   9  -4.442  -2.053   1.158
   53    HA   THR   9           HA       THR   9  -2.693  -0.507   0.784
   54    HB   THR   9           HB       THR   9  -3.453  -1.355  -1.433
   55    HG1  THR   9           1HG      THR   9  -2.579   0.459  -2.609
   56   1HG2  THR   9          1HG2      THR   9  -5.190   1.114  -1.300
   57   2HG2  THR   9          2HG2      THR   9  -5.695  -0.553  -1.574
   58   3HG2  THR   9          3HG2      THR   9  -4.796   0.310  -2.820
   59    H    PHE  10           H        PHE  10  -2.471   1.958  -0.250
   60    HA   PHE  10           HA       PHE  10  -4.409   3.936   0.328
   61   1HB   PHE  10          2HB       PHE  10  -3.453   4.648   2.603
   62   2HB   PHE  10          1HB       PHE  10  -4.430   3.183   2.602
   63    HD1  PHE  10           1HD      PHE  10  -0.966   4.503   2.675
   64    HD2  PHE  10           2HD      PHE  10  -3.462   1.032   3.088
   65    HE1  PHE  10           1HE      PHE  10   0.951   3.234   3.604
   66    HE2  PHE  10           2HE      PHE  10  -1.544  -0.237   4.016
   67    HZ   PHE  10           HZ       PHE  10   0.662   0.865   4.273
   68    H    LYS  11           H        LYS  11  -3.180   6.139   0.920
   69    HA   LYS  11           HA       LYS  11  -0.957   6.367  -0.996
   70   1HB   LYS  11          2HB       LYS  11  -2.406   8.356   0.782
   71   2HB   LYS  11          1HB       LYS  11  -1.294   8.779  -0.518
   72   1HG   LYS  11          2HG       LYS  11  -3.811   7.142  -0.916
   73   2HG   LYS  11          1HG       LYS  11  -3.710   8.880  -1.198
   74   1HD   LYS  11          2HD       LYS  11  -1.562   7.342  -2.493
   75   2HD   LYS  11          1HD       LYS  11  -3.177   6.955  -3.089
   76   1HE   LYS  11          2HE       LYS  11  -2.402   9.842  -2.746
   77   2HE   LYS  11          1HE       LYS  11  -1.865   8.953  -4.186
   78   1HZ   LYS  11          1HZ       LYS  11  -4.608   8.460  -3.429
   79   2HZ   LYS  11          2HZ       LYS  11  -3.946   8.777  -4.961
   80   3HZ   LYS  11          3HZ       LYS  11  -4.309  10.059  -3.908
   81    H    ASP  12           H        ASP  12   1.193   6.809  -0.426
   82    HA   ASP  12           HA       ASP  12   1.824   7.192   2.465
   83   1HB   ASP  12          2HB       ASP  12   1.908   4.775   1.823
   84   2HB   ASP  12          1HB       ASP  12   3.131   5.178   0.613
   85    H    LYS  13           H        LYS  13   3.269   6.975  -0.800
   86    HA   LYS  13           HA       LYS  13   4.833   9.448  -0.160
   87   1HB   LYS  13          2HB       LYS  13   5.913   7.020  -1.619
   88   2HB   LYS  13          1HB       LYS  13   6.828   8.401  -1.003
   89   1HG   LYS  13          2HG       LYS  13   5.731   7.661   1.302
   90   2HG   LYS  13          1HG       LYS  13   5.639   6.097   0.491
   91   1HD   LYS  13          2HD       LYS  13   8.218   7.592   0.309
   92   2HD   LYS  13          1HD       LYS  13   7.817   6.840   1.854
   93   1HE   LYS  13          2HE       LYS  13   7.567   4.659   0.795
   94   2HE   LYS  13          1HE       LYS  13   7.802   5.378  -0.810
   95   1HZ   LYS  13          1HZ       LYS  13   9.920   4.651  -0.201
   96   2HZ   LYS  13          2HZ       LYS  13   9.745   5.162   1.410
   97   3HZ   LYS  13          3HZ       LYS  13   9.947   6.305   0.170
   98    H    CYS  14           H        CYS  14   6.213   8.969  -2.820
   99    HA   CYS  14           HA       CYS  14   4.460  10.549  -4.462
  100   1HB   CYS  14          2HB       CYS  14   6.275  10.458  -5.989
  101   2HB   CYS  14          1HB       CYS  14   7.034  10.301  -4.403
  102    H    ASN  15           H        ASN  15   4.354   7.233  -3.763
  103    HA   ASN  15           HA       ASN  15   2.821   6.727  -6.293
  104   1HB   ASN  15          2HB       ASN  15   5.095   5.357  -5.016
  105   2HB   ASN  15          1HB       ASN  15   3.784   4.276  -5.488
  106   1HD2  ASN  15          1HD2      ASN  15   4.904   7.305  -7.081
  107   2HD2  ASN  15          2HD2      ASN  15   5.257   6.562  -8.575
  108    H    THR  16           H        THR  16   3.267   4.410  -3.703
  109    HA   THR  16           HA       THR  16   0.897   4.986  -2.180
  110    HB   THR  16           HB       THR  16   0.702   3.440  -4.732
  111    HG1  THR  16           1HG      THR  16  -0.362   5.302  -4.769
  112   1HG2  THR  16          1HG2      THR  16  -1.180   2.116  -3.965
  113   2HG2  THR  16          2HG2      THR  16  -1.067   2.819  -2.352
  114   3HG2  THR  16          3HG2      THR  16   0.210   1.756  -2.942
  115    H    CYS  17           H        CYS  17   0.194   2.857  -0.977
  116    HA   CYS  17           HA       CYS  17   2.428   0.907  -0.746
  117   1HB   CYS  17          2HB       CYS  17   2.262   3.141   0.844
  118   2HB   CYS  17          1HB       CYS  17   1.399   1.944   1.813
  119    H    ARG  18           H        ARG  18   1.247  -0.937  -1.161
  120    HA   ARG  18           HA       ARG  18  -1.515  -1.353  -0.514
  121   1HB   ARG  18          2HB       ARG  18  -0.424  -2.656  -2.209
  122   2HB   ARG  18          1HB       ARG  18   0.848  -3.159  -1.094
  123   1HG   ARG  18          2HG       ARG  18  -0.662  -5.015  -1.288
  124   2HG   ARG  18          1HG       ARG  18  -0.964  -4.282   0.289
  125   1HD   ARG  18          2HD       ARG  18  -2.984  -3.281  -0.427
  126   2HD   ARG  18          1HD       ARG  18  -2.561  -3.451  -2.142
  127    HE   ARG  18           HE       ARG  18  -3.800  -5.499  -0.537
  128   1HH1  ARG  18          1HH1      ARG  18  -1.265  -6.890  -0.948
  129   2HH1  ARG  18          2HH1      ARG  18  -1.445  -7.605  -2.516
  130   1HH2  ARG  18          1HH2      ARG  18  -4.101  -5.576  -3.433
  131   2HH2  ARG  18          2HH2      ARG  18  -3.048  -6.862  -3.921
  132    H    CYS  19           H        CYS  19  -2.469  -2.288   1.284
  133    HA   CYS  19           HA       CYS  19  -0.927  -2.254   3.773
  134   1HB   CYS  19          2HB       CYS  19  -3.470  -1.674   3.042
  135   2HB   CYS  19          1HB       CYS  19  -3.695  -3.323   3.632
  136    H    GLY  20           H        GLY  20   0.362  -4.012   4.185
  137   1HA   GLY  20          2HA       GLY  20   0.346  -6.529   3.049
  138   2HA   GLY  20          1HA       GLY  20   0.846  -6.258   4.722
  139    H    SER  21           H        SER  21  -0.366  -8.651   4.101
  140    HA   SER  21           HA       SER  21  -3.253  -8.483   4.670
  141   1HB   SER  21          2HB       SER  21  -1.350 -10.324   3.549
  142   2HB   SER  21          1HB       SER  21  -2.218 -11.131   4.852
  143    HG   SER  21           HG       SER  21  -4.084 -10.847   3.802
  144    H    ASP  22           H        ASP  22  -0.360  -8.612   6.502
  145    HA   ASP  22           HA       ASP  22  -1.726  -9.883   8.834
  146   1HB   ASP  22          2HB       ASP  22   0.467 -10.745   8.125
  147   2HB   ASP  22          1HB       ASP  22   1.164  -9.127   8.279
  148    H    GLY  23           H        GLY  23  -1.478  -6.858   7.584
  149   1HA   GLY  23          2HA       GLY  23  -1.822  -4.740   8.541
  150   2HA   GLY  23          1HA       GLY  23  -2.125  -5.563  10.076
  151    H    LYS  24           H        LYS  24  -0.614  -3.149   9.853
  152    HA   LYS  24           HA       LYS  24   1.396  -2.252  10.714
  153   1HB   LYS  24          2HB       LYS  24   2.029  -5.101  11.510
  154   2HB   LYS  24          1HB       LYS  24   2.474  -3.613  12.345
  155   1HG   LYS  24          2HG       LYS  24  -0.285  -4.841  12.112
  156   2HG   LYS  24          1HG       LYS  24   0.653  -4.574  13.582
  157   1HD   LYS  24          2HD       LYS  24  -0.204  -2.300  11.782
  158   2HD   LYS  24          1HD       LYS  24  -1.203  -2.877  13.114
  159   1HE   LYS  24          2HE       LYS  24   1.660  -1.887  13.384
  160   2HE   LYS  24          1HE       LYS  24   0.206  -0.986  13.860
  161   1HZ   LYS  24          1HZ       LYS  24   1.411  -3.342  15.089
  162   2HZ   LYS  24          2HZ       LYS  24  -0.287  -3.305  15.030
  163   3HZ   LYS  24          3HZ       LYS  24   0.567  -2.059  15.808
  164    H    SER  25           H        SER  25   1.192  -3.822   7.999
  165    HA   SER  25           HA       SER  25   4.060  -3.527   7.346
  166   1HB   SER  25          2HB       SER  25   2.535  -6.147   7.195
  167   2HB   SER  25          1HB       SER  25   4.124  -5.883   6.473
  168    HG   SER  25           HG       SER  25   4.189  -6.805   8.605
  169    H    ALA  26           H        ALA  26   4.174  -2.671   5.299
  170    HA   ALA  26           HA       ALA  26   1.806  -3.050   3.491
  171   1HB   ALA  26          1HB       ALA  26   3.671  -0.715   3.988
  172   2HB   ALA  26          2HB       ALA  26   1.934  -0.783   4.290
  173   3HB   ALA  26          3HB       ALA  26   2.543  -0.765   2.633
  174    H    ALA  27           H        ALA  27   2.727  -2.229   1.130
  175    HA   ALA  27           HA       ALA  27   5.158  -3.908   0.599
  176   1HB   ALA  27          1HB       ALA  27   4.076  -4.527  -1.461
  177   2HB   ALA  27          2HB       ALA  27   2.845  -3.283  -1.251
  178   3HB   ALA  27          3HB       ALA  27   2.867  -4.689  -0.188
  179    H    CYS  28           H        CYS  28   3.254  -1.202  -0.721
  180    HA   CYS  28           HA       CYS  28   3.948   0.799  -1.752
  181   1HB   CYS  28          2HB       CYS  28   6.056  -0.030   0.123
  182   2HB   CYS  28          1HB       CYS  28   6.639   1.022  -1.168
  183    H    THR  29           H        THR  29   3.999   0.622  -3.957
  184    HA   THR  29           HA       THR  29   5.461  -1.331  -5.437
  185    HB   THR  29           HB       THR  29   3.451   0.186  -6.044
  186    HG1  THR  29           1HG      THR  29   3.892  -0.158  -8.140
  187   1HG2  THR  29          1HG2      THR  29   5.633   2.023  -7.033
  188   2HG2  THR  29          2HG2      THR  29   4.827   2.281  -5.485
  189   3HG2  THR  29          3HG2      THR  29   3.896   2.320  -6.982
  190    H    LEU  30           H        LEU  30   6.428   1.724  -4.071
  191    HA   LEU  30           HA       LEU  30   8.443   2.961  -4.248
  192   1HB   LEU  30          2HB       LEU  30   9.172   0.030  -4.342
  193   2HB   LEU  30          1HB       LEU  30  10.410   1.284  -4.262
  194    HG   LEU  30           HG       LEU  30   8.161   0.863  -2.271
  195   1HD1  LEU  30          1HD1      LEU  30  10.217   0.537  -0.748
  196   2HD1  LEU  30          2HD1      LEU  30  11.138   0.348  -2.240
  197   3HD1  LEU  30          3HD1      LEU  30   9.832  -0.774  -1.862
  198   1HD2  LEU  30          1HD2      LEU  30   8.460   3.043  -1.768
  199   2HD2  LEU  30          2HD2      LEU  30   9.794   3.176  -2.913
  200   3HD2  LEU  30          3HD2      LEU  30  10.101   2.635  -1.263
  201    H    LYS  31           H        LYS  31   7.603   3.666  -6.507
  202    HA   LYS  31           HA       LYS  31   9.347   2.536  -8.668
  203   1HB   LYS  31          2HB       LYS  31   6.592   2.892  -8.486
  204   2HB   LYS  31          1HB       LYS  31   7.119   4.269  -9.453
  205   1HG   LYS  31          2HG       LYS  31   6.633   2.383 -10.927
  206   2HG   LYS  31          1HG       LYS  31   8.366   2.708 -10.942
  207   1HD   LYS  31          2HD       LYS  31   8.131   0.333 -10.724
  208   2HD   LYS  31          1HD       LYS  31   8.592   0.928  -9.131
  209   1HE   LYS  31          2HE       LYS  31   6.644   0.217  -8.212
  210   2HE   LYS  31          1HE       LYS  31   5.686   0.936  -9.522
  211   1HZ   LYS  31          1HZ       LYS  31   6.175  -0.889 -10.936
  212   2HZ   LYS  31          2HZ       LYS  31   5.657  -1.553  -9.460
  213   3HZ   LYS  31          3HZ       LYS  31   7.310  -1.525  -9.850
  214    H    ALA  32           H        ALA  32  10.638   4.289  -7.019
  215    HA   ALA  32           HA       ALA  32  11.952   6.248  -7.147
  216   1HB   ALA  32          1HB       ALA  32  12.593   6.367  -9.306
  217   2HB   ALA  32          2HB       ALA  32  11.122   7.269  -9.673
  218   3HB   ALA  32          3HB       ALA  32  11.132   5.509  -9.798
  219    H    CYS  33           H        CYS  33  11.681   8.512  -6.795
  220    HA   CYS  33           HA       CYS  33   8.901   9.595  -7.002
  221   1HB   CYS  33          2HB       CYS  33  10.717   9.535  -4.567
  222   2HB   CYS  33          1HB       CYS  33   9.209  10.450  -4.656
  223    HA   PRO  34           HA       PRO  34  10.958  13.268  -8.267
  224   1HB   PRO  34          2HB       PRO  34   9.370  15.220  -7.186
  225   2HB   PRO  34          1HB       PRO  34   8.876  14.228  -8.574
  226   1HG   PRO  34          2HG       PRO  34   8.123  13.976  -5.707
  227   2HG   PRO  34          1HG       PRO  34   7.138  13.738  -7.158
  228   1HD   PRO  34          2HD       PRO  34   8.190  11.688  -5.697
  229   2HD   PRO  34          1HD       PRO  34   7.835  11.577  -7.436
  230    H    GLN  35           H        GLN  35   9.772  14.836  -5.371
  231    HA   GLN  35           HA       GLN  35  10.909  15.691  -3.482
  232   1HB   GLN  35          2HB       GLN  35  11.551  13.061  -3.746
  233   2HB   GLN  35          1HB       GLN  35  13.155  13.787  -3.863
  234   1HG   GLN  35          2HG       GLN  35  13.081  14.635  -1.710
  235   2HG   GLN  35          1HG       GLN  35  11.321  14.739  -1.699
  236   1HE2  GLN  35          1HE2      GLN  35  11.269  13.520   0.358
  237   2HE2  GLN  35          2HE2      GLN  35  11.533  11.844   0.370
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1   6.896   1.022   6.323
    2   2H    GLU   1          2HT       GLU   1   8.363   1.085   7.179
    3   3H    GLU   1          3HT       GLU   1   7.642   2.516   6.613
    4    HA   GLU   1           HA       GLU   1   6.819   0.806   8.880
    5   1HB   GLU   1          2HB       GLU   1   7.249   3.772   8.385
    6   2HB   GLU   1          1HB       GLU   1   6.848   3.051   9.945
    7   1HG   GLU   1          2HG       GLU   1   8.973   1.533   9.351
    8   2HG   GLU   1          1HG       GLU   1   9.411   2.966   8.420
    9    H    VAL   2           H        VAL   2   4.655   0.343   8.992
   10    HA   VAL   2           HA       VAL   2   2.667   2.389   8.246
   11    HB   VAL   2           HB       VAL   2   3.017   1.438   6.096
   12   1HG1  VAL   2          1HG1      VAL   2   4.369  -0.498   6.999
   13   2HG1  VAL   2          2HG1      VAL   2   3.287  -0.920   5.675
   14   3HG1  VAL   2          3HG1      VAL   2   2.846  -1.321   7.334
   15   1HG2  VAL   2          1HG2      VAL   2   0.804  -0.318   7.163
   16   2HG2  VAL   2          2HG2      VAL   2   0.915   0.471   5.589
   17   3HG2  VAL   2          3HG2      VAL   2   0.604   1.430   7.038
   18    H    THR   3           H        THR   3   0.494   1.765   8.972
   19    HA   THR   3           HA       THR   3   0.252  -0.702  10.599
   20    HB   THR   3           HB       THR   3  -0.026   2.115  11.700
   21    HG1  THR   3           1HG      THR   3   1.920   0.096  11.895
   22   1HG2  THR   3          1HG2      THR   3   0.020   0.292  13.798
   23   2HG2  THR   3          2HG2      THR   3  -1.005  -0.487  12.593
   24   3HG2  THR   3          3HG2      THR   3  -1.408   1.125  13.186
   25    H    CYS   4           H        CYS   4  -1.082   0.026   8.205
   26    HA   CYS   4           HA       CYS   4  -3.738   1.067   9.006
   27   1HB   CYS   4          2HB       CYS   4  -3.580   1.915   6.917
   28   2HB   CYS   4          1HB       CYS   4  -2.027   1.111   6.725
   29    H    GLU   5           H        GLU   5  -5.565  -0.267   7.651
   30    HA   GLU   5           HA       GLU   5  -5.674  -2.900   8.912
   31   1HB   GLU   5          2HB       GLU   5  -7.434  -1.297   7.039
   32   2HB   GLU   5          1HB       GLU   5  -7.890  -2.897   7.626
   33   1HG   GLU   5          2HG       GLU   5  -8.182  -2.168   9.801
   34   2HG   GLU   5          1HG       GLU   5  -7.010  -0.860   9.632
   35    HA   PRO   6           HA       PRO   6  -3.987  -5.115   5.492
   36   1HB   PRO   6          2HB       PRO   6  -4.975  -7.597   6.085
   37   2HB   PRO   6          1HB       PRO   6  -3.630  -6.855   6.974
   38   1HG   PRO   6          2HG       PRO   6  -6.498  -7.080   7.725
   39   2HG   PRO   6          1HG       PRO   6  -5.052  -7.199   8.738
   40   1HD   PRO   6          2HD       PRO   6  -6.642  -4.973   8.599
   41   2HD   PRO   6          1HD       PRO   6  -4.918  -4.938   9.035
   42    H    GLY   7           H        GLY   7  -4.932  -4.671   3.522
   43   1HA   GLY   7          2HA       GLY   7  -6.369  -5.605   1.747
   44   2HA   GLY   7          1HA       GLY   7  -7.598  -5.907   2.981
   45    H    THR   8           H        THR   8  -5.693  -2.942   2.665
   46    HA   THR   8           HA       THR   8  -8.172  -1.506   1.788
   47    HB   THR   8           HB       THR   8  -6.329  -1.012   4.129
   48    HG1  THR   8           1HG      THR   8  -8.614  -0.643   4.953
   49   1HG2  THR   8          1HG2      THR   8  -6.421   1.148   3.165
   50   2HG2  THR   8          2HG2      THR   8  -7.713   1.151   4.366
   51   3HG2  THR   8          3HG2      THR   8  -8.097   0.941   2.658
   52    H    THR   9           H        THR   9  -4.647  -1.569   1.996
   53    HA   THR   9           HA       THR   9  -2.987  -0.337   0.862
   54    HB   THR   9           HB       THR   9  -4.151  -1.886  -0.811
   55    HG1  THR   9           1HG      THR   9  -3.221  -0.506  -2.611
   56   1HG2  THR   9          1HG2      THR   9  -5.275  -0.473  -2.677
   57   2HG2  THR   9          2HG2      THR   9  -5.526   0.726  -1.411
   58   3HG2  THR   9          3HG2      THR   9  -6.227  -0.884  -1.253
   59    H    PHE  10           H        PHE  10  -2.720   1.675  -0.713
   60    HA   PHE  10           HA       PHE  10  -4.639   3.764  -0.810
   61   1HB   PHE  10          2HB       PHE  10  -3.652   5.093   1.177
   62   2HB   PHE  10          1HB       PHE  10  -4.722   3.750   1.570
   63    HD1  PHE  10           1HD      PHE  10  -1.151   4.760   1.283
   64    HD2  PHE  10           2HD      PHE  10  -3.934   1.841   2.764
   65    HE1  PHE  10           1HE      PHE  10   0.665   3.691   2.591
   66    HE2  PHE  10           2HE      PHE  10  -2.117   0.774   4.070
   67    HZ   PHE  10           HZ       PHE  10   0.182   1.698   3.985
   68    H    LYS  11           H        LYS  11  -3.032   6.013  -0.327
   69    HA   LYS  11           HA       LYS  11  -0.761   5.557  -2.235
   70   1HB   LYS  11          2HB       LYS  11  -3.017   7.138  -2.457
   71   2HB   LYS  11          1HB       LYS  11  -1.806   8.286  -1.883
   72   1HG   LYS  11          2HG       LYS  11  -0.790   8.317  -3.892
   73   2HG   LYS  11          1HG       LYS  11  -0.684   6.557  -3.919
   74   1HD   LYS  11          2HD       LYS  11  -2.319   6.477  -5.458
   75   2HD   LYS  11          1HD       LYS  11  -3.418   7.278  -4.333
   76   1HE   LYS  11          2HE       LYS  11  -1.396   8.853  -5.946
   77   2HE   LYS  11          1HE       LYS  11  -3.014   8.484  -6.575
   78   1HZ   LYS  11          1HZ       LYS  11  -2.559  10.589  -5.053
   79   2HZ   LYS  11          2HZ       LYS  11  -2.832   9.448  -3.824
   80   3HZ   LYS  11          3HZ       LYS  11  -4.026   9.739  -4.997
   81    H    ASP  12           H        ASP  12   1.256   6.006  -1.417
   82    HA   ASP  12           HA       ASP  12   1.507   7.934   0.838
   83   1HB   ASP  12          2HB       ASP  12   1.307   5.491   1.564
   84   2HB   ASP  12          1HB       ASP  12   2.842   5.214   0.733
   85    H    LYS  13           H        LYS  13   3.201   9.312   0.417
   86    HA   LYS  13           HA       LYS  13   5.221  10.118  -0.507
   87   1HB   LYS  13          2HB       LYS  13   5.876   7.367  -1.480
   88   2HB   LYS  13          1HB       LYS  13   6.928   8.561  -0.713
   89   1HG   LYS  13          2HG       LYS  13   5.121   8.084   1.280
   90   2HG   LYS  13          1HG       LYS  13   5.200   6.518   0.501
   91   1HD   LYS  13          2HD       LYS  13   7.756   7.961   1.097
   92   2HD   LYS  13          1HD       LYS  13   6.928   7.108   2.400
   93   1HE   LYS  13          2HE       LYS  13   7.169   5.006   1.346
   94   2HE   LYS  13          1HE       LYS  13   7.471   5.739  -0.242
   95   1HZ   LYS  13          1HZ       LYS  13   9.467   6.808   0.804
   96   2HZ   LYS  13          2HZ       LYS  13   9.574   5.124   0.613
   97   3HZ   LYS  13          3HZ       LYS  13   9.239   5.788   2.140
   98    H    CYS  14           H        CYS  14   6.405   8.672  -2.910
   99    HA   CYS  14           HA       CYS  14   4.608   9.876  -4.945
  100   1HB   CYS  14          2HB       CYS  14   7.424   8.739  -4.955
  101   2HB   CYS  14          1HB       CYS  14   6.633   9.387  -6.395
  102    H    ASN  15           H        ASN  15   4.128   7.243  -3.456
  103    HA   ASN  15           HA       ASN  15   3.447   5.639  -5.856
  104   1HB   ASN  15          2HB       ASN  15   5.450   4.935  -3.722
  105   2HB   ASN  15          1HB       ASN  15   4.595   3.667  -4.593
  106   1HD2  ASN  15          1HD2      ASN  15   4.482   4.554  -7.185
  107   2HD2  ASN  15          2HD2      ASN  15   6.046   4.843  -7.803
  108    H    THR  16           H        THR  16   2.456   3.449  -4.913
  109    HA   THR  16           HA       THR  16   0.487   4.251  -2.806
  110    HB   THR  16           HB       THR  16   0.502   2.604  -5.293
  111    HG1  THR  16           1HG      THR  16  -1.071   4.477  -3.975
  112   1HG2  THR  16          1HG2      THR  16  -1.478   1.302  -4.546
  113   2HG2  THR  16          2HG2      THR  16  -1.247   1.921  -2.912
  114   3HG2  THR  16          3HG2      THR  16  -0.025   0.879  -3.639
  115    H    CYS  17           H        CYS  17  -0.221   2.336  -1.403
  116    HA   CYS  17           HA       CYS  17   1.973   0.366  -0.956
  117   1HB   CYS  17          2HB       CYS  17   1.678   2.736   0.450
  118   2HB   CYS  17          1HB       CYS  17   0.871   1.556   1.484
  119    H    ARG  18           H        ARG  18   0.853  -1.545  -1.168
  120    HA   ARG  18           HA       ARG  18  -1.972  -1.793  -0.427
  121   1HB   ARG  18          2HB       ARG  18  -1.191  -3.011  -2.326
  122   2HB   ARG  18          1HB       ARG  18   0.207  -3.628  -1.445
  123   1HG   ARG  18          2HG       ARG  18  -1.464  -5.395  -1.637
  124   2HG   ARG  18          1HG       ARG  18  -1.341  -4.893   0.050
  125   1HD   ARG  18          2HD       ARG  18  -3.404  -3.774   0.004
  126   2HD   ARG  18          1HD       ARG  18  -3.377  -3.600  -1.762
  127    HE   ARG  18           HE       ARG  18  -3.352  -6.328  -1.429
  128   1HH1  ARG  18          1HH2      ARG  18  -5.512  -3.736  -1.098
  129   2HH1  ARG  18          2HH2      ARG  18  -6.836  -4.702  -0.535
  130   1HH2  ARG  18          1HH1      ARG  18  -4.961  -7.608  -0.295
  131   2HH2  ARG  18          2HH1      ARG  18  -6.523  -6.892  -0.081
  132    H    CYS  19           H        CYS  19  -2.477  -1.895   1.698
  133    HA   CYS  19           HA       CYS  19  -0.786  -2.539   3.862
  134   1HB   CYS  19          2HB       CYS  19  -3.402  -1.745   3.374
  135   2HB   CYS  19          1HB       CYS  19  -3.600  -3.313   4.156
  136    H    GLY  20           H        GLY  20   0.250  -4.478   4.180
  137   1HA   GLY  20          2HA       GLY  20  -0.200  -6.897   2.871
  138   2HA   GLY  20          1HA       GLY  20   0.512  -6.798   4.485
  139    H    SER  21           H        SER  21  -0.917  -8.994   4.196
  140    HA   SER  21           HA       SER  21  -3.756  -8.556   4.885
  141   1HB   SER  21          2HB       SER  21  -2.701 -10.363   3.363
  142   2HB   SER  21          1HB       SER  21  -2.207 -11.149   4.859
  143    HG   SER  21           HG       SER  21  -4.230 -11.642   5.273
  144    H    ASP  22           H        ASP  22  -0.768  -8.880   6.541
  145    HA   ASP  22           HA       ASP  22  -2.042  -9.944   9.010
  146   1HB   ASP  22          2HB       ASP  22   0.617  -9.816   7.778
  147   2HB   ASP  22          1HB       ASP  22   0.641  -9.421   9.501
  148    H    GLY  23           H        GLY  23  -1.494  -6.964   7.551
  149   1HA   GLY  23          2HA       GLY  23  -1.896  -4.804   8.423
  150   2HA   GLY  23          1HA       GLY  23  -2.115  -5.533  10.018
  151    H    LYS  24           H        LYS  24  -0.710  -3.267  10.074
  152    HA   LYS  24           HA       LYS  24   1.377  -2.325  10.665
  153   1HB   LYS  24          2HB       LYS  24   1.134  -5.062  11.691
  154   2HB   LYS  24          1HB       LYS  24   2.810  -4.528  11.555
  155   1HG   LYS  24          2HG       LYS  24   2.560  -3.302  13.422
  156   2HG   LYS  24          1HG       LYS  24   1.311  -2.352  12.616
  157   1HD   LYS  24          2HD       LYS  24  -0.202  -4.450  13.188
  158   2HD   LYS  24          1HD       LYS  24   1.015  -4.710  14.440
  159   1HE   LYS  24          2HE       LYS  24   0.223  -1.905  14.318
  160   2HE   LYS  24          1HE       LYS  24  -1.167  -2.968  14.625
  161   1HZ   LYS  24          1HZ       LYS  24   0.475  -2.243  16.554
  162   2HZ   LYS  24          2HZ       LYS  24   1.337  -3.596  15.994
  163   3HZ   LYS  24          3HZ       LYS  24  -0.265  -3.768  16.533
  164    H    SER  25           H        SER  25   0.989  -3.756   7.919
  165    HA   SER  25           HA       SER  25   3.790  -3.426   7.060
  166   1HB   SER  25          2HB       SER  25   2.333  -6.051   7.261
  167   2HB   SER  25          1HB       SER  25   3.541  -5.821   5.995
  168    HG   SER  25           HG       SER  25   4.084  -5.147   8.680
  169    H    ALA  26           H        ALA  26   3.839  -2.772   4.909
  170    HA   ALA  26           HA       ALA  26   1.473  -3.287   3.184
  171   1HB   ALA  26          1HB       ALA  26   1.696  -1.002   4.705
  172   2HB   ALA  26          2HB       ALA  26   0.767  -1.118   3.211
  173   3HB   ALA  26          3HB       ALA  26   2.417  -0.492   3.178
  174    H    ALA  27           H        ALA  27   2.023  -3.307   0.985
  175    HA   ALA  27           HA       ALA  27   4.921  -3.262   0.357
  176   1HB   ALA  27          1HB       ALA  27   4.280  -4.544  -1.495
  177   2HB   ALA  27          2HB       ALA  27   2.680  -3.807  -1.569
  178   3HB   ALA  27          3HB       ALA  27   3.051  -4.986  -0.311
  179    H    CYS  28           H        CYS  28   5.674  -1.196  -0.110
  180    HA   CYS  28           HA       CYS  28   3.862   0.689  -1.476
  181   1HB   CYS  28          2HB       CYS  28   6.285   0.753   0.190
  182   2HB   CYS  28          1HB       CYS  28   6.301   1.936  -1.118
  183    H    THR  29           H        THR  29   4.135   1.333  -3.622
  184    HA   THR  29           HA       THR  29   5.853  -0.318  -5.321
  185    HB   THR  29           HB       THR  29   4.621   0.623  -7.063
  186    HG1  THR  29           1HG      THR  29   3.981   2.737  -7.093
  187   1HG2  THR  29          1HG2      THR  29   2.597   1.611  -5.165
  188   2HG2  THR  29          2HG2      THR  29   3.179  -0.017  -4.825
  189   3HG2  THR  29          3HG2      THR  29   2.469   0.354  -6.395
  190    H    LEU  30           H        LEU  30   7.650   0.801  -3.671
  191    HA   LEU  30           HA       LEU  30   8.706   3.335  -3.989
  192   1HB   LEU  30          2HB       LEU  30  10.072   0.628  -3.919
  193   2HB   LEU  30          1HB       LEU  30  10.933   2.151  -3.699
  194    HG   LEU  30           HG       LEU  30   8.505   1.808  -2.034
  195   1HD1  LEU  30          1HD1      LEU  30  10.351   0.539  -0.460
  196   2HD1  LEU  30          2HD1      LEU  30  10.733  -0.134  -2.044
  197   3HD1  LEU  30          3HD1      LEU  30   9.103  -0.294  -1.387
  198   1HD2  LEU  30          1HD2      LEU  30  10.534   3.593  -2.119
  199   2HD2  LEU  30          2HD2      LEU  30  11.197   2.457  -0.944
  200   3HD2  LEU  30          3HD2      LEU  30   9.644   3.234  -0.639
  201    H    LYS  31           H        LYS  31   8.341   4.184  -6.122
  202    HA   LYS  31           HA       LYS  31  10.186   3.074  -8.208
  203   1HB   LYS  31          2HB       LYS  31   7.270   3.428  -8.156
  204   2HB   LYS  31          1HB       LYS  31   8.030   4.147  -9.575
  205   1HG   LYS  31          2HG       LYS  31   7.430   1.800 -10.013
  206   2HG   LYS  31          1HG       LYS  31   9.181   2.007 -10.037
  207   1HD   LYS  31          2HD       LYS  31   9.484   0.722  -8.184
  208   2HD   LYS  31          1HD       LYS  31   8.058   1.379  -7.381
  209   1HE   LYS  31          2HE       LYS  31   7.432  -0.860  -7.796
  210   2HE   LYS  31          1HE       LYS  31   6.734  -0.004  -9.186
  211   1HZ   LYS  31          1HZ       LYS  31   9.075  -0.368 -10.193
  212   2HZ   LYS  31          2HZ       LYS  31   7.958  -1.647 -10.213
  213   3HZ   LYS  31          3HZ       LYS  31   9.196  -1.615  -9.050
  214    H    ALA  32           H        ALA  32  11.444   4.976  -7.079
  215    HA   ALA  32           HA       ALA  32  12.378   7.126  -7.395
  216   1HB   ALA  32          1HB       ALA  32  12.462   7.342  -9.640
  217   2HB   ALA  32          2HB       ALA  32  10.860   8.076  -9.593
  218   3HB   ALA  32          3HB       ALA  32  11.026   6.337  -9.820
  219    H    CYS  33           H        CYS  33  11.837   9.340  -6.897
  220    HA   CYS  33           HA       CYS  33   9.034  10.170  -6.640
  221   1HB   CYS  33          2HB       CYS  33   9.278   8.707  -4.705
  222   2HB   CYS  33          1HB       CYS  33  10.776   9.519  -4.239
  223    HA   PRO  34           HA       PRO  34  11.915  13.635  -7.256
  224   1HB   PRO  34          2HB       PRO  34  10.143  15.147  -8.691
  225   2HB   PRO  34          1HB       PRO  34  11.126  13.858  -9.416
  226   1HG   PRO  34          2HG       PRO  34   8.269  13.824  -8.594
  227   2HG   PRO  34          1HG       PRO  34   9.051  13.072  -9.992
  228   1HD   PRO  34          2HD       PRO  34   8.337  11.711  -7.729
  229   2HD   PRO  34          1HD       PRO  34   9.654  11.208  -8.815
  230    H    GLN  35           H        GLN  35   8.767  13.407  -5.806
  231    HA   GLN  35           HA       GLN  35   9.012  16.151  -4.648
  232   1HB   GLN  35          2HB       GLN  35   6.911  14.543  -5.675
  233   2HB   GLN  35          1HB       GLN  35   6.614  14.710  -3.945
  234   1HG   GLN  35          2HG       GLN  35   6.081  16.898  -4.146
  235   2HG   GLN  35          1HG       GLN  35   7.478  17.219  -5.175
  236   1HE2  GLN  35          1HE2      GLN  35   6.779  18.031  -7.149
  237   2HE2  GLN  35          2HE2      GLN  35   5.418  17.485  -8.003
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1   4.320   3.839  11.186
    2   2H    GLU   1          2HT       GLU   1   6.006   4.022  11.265
    3   3H    GLU   1          3HT       GLU   1   5.244   2.771  12.124
    4    HA   GLU   1           HA       GLU   1   6.283   2.679   9.525
    5   1HB   GLU   1          2HB       GLU   1   5.788   1.062  11.667
    6   2HB   GLU   1          1HB       GLU   1   4.514   0.536  10.567
    7   1HG   GLU   1          2HG       GLU   1   6.917   0.842   9.051
    8   2HG   GLU   1          1HG       GLU   1   7.292  -0.118  10.482
    9    H    VAL   2           H        VAL   2   4.271   0.656   8.604
   10    HA   VAL   2           HA       VAL   2   2.783   2.254   6.784
   11    HB   VAL   2           HB       VAL   2   2.283  -0.541   7.858
   12   1HG1  VAL   2          1HG1      VAL   2   0.781  -0.882   6.138
   13   2HG1  VAL   2          2HG1      VAL   2   1.543   0.318   5.093
   14   3HG1  VAL   2          3HG1      VAL   2   0.500   0.835   6.419
   15   1HG2  VAL   2          1HG2      VAL   2   3.641   0.147   5.261
   16   2HG2  VAL   2          2HG2      VAL   2   3.764  -1.328   6.220
   17   3HG2  VAL   2          3HG2      VAL   2   4.566   0.147   6.763
   18    H    THR   3           H        THR   3   1.894   0.889   9.939
   19    HA   THR   3           HA       THR   3  -0.092   1.167  11.222
   20    HB   THR   3           HB       THR   3   0.219   3.970  10.118
   21    HG1  THR   3           1HG      THR   3   2.082   4.057  11.055
   22   1HG2  THR   3          1HG2      THR   3  -0.468   4.601  12.401
   23   2HG2  THR   3          2HG2      THR   3  -0.593   2.894  12.833
   24   3HG2  THR   3          3HG2      THR   3  -1.686   3.583  11.631
   25    H    CYS   4           H        CYS   4  -1.251  -0.130   9.418
   26    HA   CYS   4           HA       CYS   4  -3.596   1.424   8.521
   27   1HB   CYS   4          2HB       CYS   4  -2.417   1.876   6.596
   28   2HB   CYS   4          1HB       CYS   4  -1.332   0.505   6.822
   29    H    GLU   5           H        GLU   5  -5.215  -0.123   7.457
   30    HA   GLU   5           HA       GLU   5  -5.311  -2.638   8.999
   31   1HB   GLU   5          2HB       GLU   5  -7.167  -1.075   7.194
   32   2HB   GLU   5          1HB       GLU   5  -7.602  -2.674   7.799
   33   1HG   GLU   5          2HG       GLU   5  -7.022  -1.740  10.138
   34   2HG   GLU   5          1HG       GLU   5  -7.098  -0.151   9.375
   35    HA   PRO   6           HA       PRO   6  -3.931  -5.187   5.687
   36   1HB   PRO   6          2HB       PRO   6  -5.249  -7.505   6.314
   37   2HB   PRO   6          1HB       PRO   6  -3.840  -6.915   7.219
   38   1HG   PRO   6          2HG       PRO   6  -6.737  -6.708   7.883
   39   2HG   PRO   6          1HG       PRO   6  -5.357  -7.039   8.944
   40   1HD   PRO   6          2HD       PRO   6  -6.551  -4.603   8.780
   41   2HD   PRO   6          1HD       PRO   6  -4.827  -4.816   9.170
   42    H    GLY   7           H        GLY   7  -4.631  -5.645   3.601
   43   1HA   GLY   7          2HA       GLY   7  -6.091  -5.890   1.777
   44   2HA   GLY   7          1HA       GLY   7  -7.339  -6.371   2.932
   45    H    THR   8           H        THR   8  -5.582  -3.425   1.903
   46    HA   THR   8           HA       THR   8  -8.105  -1.989   1.521
   47    HB   THR   8           HB       THR   8  -6.306  -0.873   3.649
   48    HG1  THR   8           1HG      THR   8  -7.333  -2.084   5.180
   49   1HG2  THR   8          1HG2      THR   8  -7.952   0.663   3.515
   50   2HG2  THR   8          2HG2      THR   8  -8.986  -0.529   4.303
   51   3HG2  THR   8          3HG2      THR   8  -8.965  -0.406   2.544
   52    H    THR   9           H        THR   9  -4.584  -1.915   1.769
   53    HA   THR   9           HA       THR   9  -2.970  -0.548   0.746
   54    HB   THR   9           HB       THR   9  -4.142  -1.946  -1.068
   55    HG1  THR   9           1HG      THR   9  -3.221  -0.184  -2.665
   56   1HG2  THR   9          1HG2      THR   9  -5.216  -0.315  -2.805
   57   2HG2  THR   9          2HG2      THR   9  -5.517   0.710  -1.405
   58   3HG2  THR   9          3HG2      THR   9  -6.200  -0.914  -1.473
   59    H    PHE  10           H        PHE  10  -2.748   1.631  -0.584
   60    HA   PHE  10           HA       PHE  10  -4.742   3.666  -0.441
   61   1HB   PHE  10          2HB       PHE  10  -3.813   4.812   1.640
   62   2HB   PHE  10          1HB       PHE  10  -4.706   3.323   1.944
   63    HD1  PHE  10           1HD      PHE  10  -3.595   1.327   2.734
   64    HD2  PHE  10           2HD      PHE  10  -1.337   4.839   1.727
   65    HE1  PHE  10           1HE      PHE  10  -1.590   0.350   3.821
   66    HE2  PHE  10           2HE      PHE  10   0.666   3.864   2.814
   67    HZ   PHE  10           HZ       PHE  10   0.541   1.619   3.861
   68    H    LYS  11           H        LYS  11  -3.332   5.933   0.035
   69    HA   LYS  11           HA       LYS  11  -0.943   5.707  -1.765
   70   1HB   LYS  11          2HB       LYS  11  -3.225   7.640  -1.475
   71   2HB   LYS  11          1HB       LYS  11  -1.693   8.217  -2.125
   72   1HG   LYS  11          2HG       LYS  11  -1.884   6.982  -4.052
   73   2HG   LYS  11          1HG       LYS  11  -2.743   5.669  -3.247
   74   1HD   LYS  11          2HD       LYS  11  -4.784   7.004  -3.161
   75   2HD   LYS  11          1HD       LYS  11  -3.941   8.388  -3.859
   76   1HE   LYS  11          2HE       LYS  11  -3.608   7.219  -5.955
   77   2HE   LYS  11          1HE       LYS  11  -4.223   5.706  -5.260
   78   1HZ   LYS  11          1HZ       LYS  11  -6.183   7.413  -4.634
   79   2HZ   LYS  11          2HZ       LYS  11  -6.188   6.450  -6.033
   80   3HZ   LYS  11          3HZ       LYS  11  -5.677   8.067  -6.114
   81    H    ASP  12           H        ASP  12   0.931   6.898  -1.121
   82    HA   ASP  12           HA       ASP  12   0.765   8.422   1.437
   83   1HB   ASP  12          2HB       ASP  12   1.463   5.825   1.424
   84   2HB   ASP  12          1HB       ASP  12   3.038   6.535   1.047
   85    H    LYS  13           H        LYS  13   3.159   7.280  -0.965
   86    HA   LYS  13           HA       LYS  13   4.242  10.075  -1.047
   87   1HB   LYS  13          2HB       LYS  13   5.605   7.404  -1.517
   88   2HB   LYS  13          1HB       LYS  13   6.399   8.984  -1.519
   89   1HG   LYS  13          2HG       LYS  13   5.031   9.002   0.879
   90   2HG   LYS  13          1HG       LYS  13   5.555   7.324   0.747
   91   1HD   LYS  13          2HD       LYS  13   7.414   8.306   1.761
   92   2HD   LYS  13          1HD       LYS  13   7.857   8.394   0.056
   93   1HE   LYS  13          2HE       LYS  13   8.279  10.590   0.864
   94   2HE   LYS  13          1HE       LYS  13   6.680  10.728   0.109
   95   1HZ   LYS  13          1HZ       LYS  13   6.650   9.769   2.836
   96   2HZ   LYS  13          2HZ       LYS  13   5.665  10.931   2.082
   97   3HZ   LYS  13          3HZ       LYS  13   7.198  11.365   2.671
   98    H    CYS  14           H        CYS  14   5.944   8.762  -3.353
   99    HA   CYS  14           HA       CYS  14   4.391   9.836  -5.527
  100   1HB   CYS  14          2HB       CYS  14   6.944   8.328  -5.111
  101   2HB   CYS  14          1HB       CYS  14   6.306   8.446  -6.755
  102    H    ASN  15           H        ASN  15   3.952   6.946  -3.866
  103    HA   ASN  15           HA       ASN  15   2.417   5.823  -6.155
  104   1HB   ASN  15          2HB       ASN  15   4.861   4.695  -4.855
  105   2HB   ASN  15          1HB       ASN  15   3.600   3.568  -5.357
  106   1HD2  ASN  15          1HD2      ASN  15   3.741   2.897  -7.496
  107   2HD2  ASN  15          2HD2      ASN  15   4.539   3.750  -8.739
  108    H    THR  16           H        THR  16   1.557   3.506  -5.173
  109    HA   THR  16           HA       THR  16   0.108   4.262  -2.677
  110    HB   THR  16           HB       THR  16  -0.406   2.745  -5.163
  111    HG1  THR  16           1HG      THR  16  -2.432   3.579  -4.795
  112   1HG2  THR  16          1HG2      THR  16  -2.038   1.204  -4.152
  113   2HG2  THR  16          2HG2      THR  16  -1.558   1.740  -2.541
  114   3HG2  THR  16          3HG2      THR  16  -0.413   0.864  -3.556
  115    H    CYS  17           H        CYS  17  -0.226   2.452  -1.082
  116    HA   CYS  17           HA       CYS  17   2.065   0.518  -1.073
  117   1HB   CYS  17          2HB       CYS  17   1.897   2.750   0.456
  118   2HB   CYS  17          1HB       CYS  17   1.035   1.609   1.492
  119    H    ARG  18           H        ARG  18   0.729  -1.261  -1.671
  120    HA   ARG  18           HA       ARG  18  -1.849  -1.885  -0.692
  121   1HB   ARG  18          2HB       ARG  18   0.106  -3.002  -2.327
  122   2HB   ARG  18          1HB       ARG  18  -0.052  -4.179  -1.022
  123   1HG   ARG  18          2HG       ARG  18  -2.404  -3.039  -2.557
  124   2HG   ARG  18          1HG       ARG  18  -1.631  -4.576  -2.944
  125   1HD   ARG  18          2HD       ARG  18  -2.440  -4.167  -0.099
  126   2HD   ARG  18          1HD       ARG  18  -3.736  -4.449  -1.280
  127    HE   ARG  18           HE       ARG  18  -1.359  -6.260  -1.207
  128   1HH1  ARG  18          1HH1      ARG  18  -4.563  -5.807  -0.181
  129   2HH1  ARG  18          2HH1      ARG  18  -5.099  -7.392  -0.626
  130   1HH2  ARG  18          1HH2      ARG  18  -2.115  -8.255  -2.172
  131   2HH2  ARG  18          2HH2      ARG  18  -3.712  -8.779  -1.754
  132    H    CYS  19           H        CYS  19  -2.495  -2.254   1.364
  133    HA   CYS  19           HA       CYS  19  -0.611  -2.621   3.544
  134   1HB   CYS  19          2HB       CYS  19  -3.131  -1.636   3.210
  135   2HB   CYS  19          1HB       CYS  19  -3.492  -3.221   3.900
  136    H    GLY  20           H        GLY  20   0.254  -4.563   4.144
  137   1HA   GLY  20          2HA       GLY  20  -0.431  -7.050   2.929
  138   2HA   GLY  20          1HA       GLY  20   0.526  -6.879   4.405
  139    H    SER  21           H        SER  21  -1.466  -8.921   3.945
  140    HA   SER  21           HA       SER  21  -3.979  -8.313   5.202
  141   1HB   SER  21          2HB       SER  21  -3.101 -10.325   3.759
  142   2HB   SER  21          1HB       SER  21  -2.604 -10.990   5.312
  143    HG   SER  21           HG       SER  21  -4.723 -10.909   5.995
  144    H    ASP  22           H        ASP  22  -0.836  -8.520   6.477
  145    HA   ASP  22           HA       ASP  22  -1.786  -9.300   9.195
  146   1HB   ASP  22          2HB       ASP  22   0.994  -8.848   8.055
  147   2HB   ASP  22          1HB       ASP  22   0.619  -9.572   9.623
  148    H    GLY  23           H        GLY  23  -1.754  -6.552   7.487
  149   1HA   GLY  23          2HA       GLY  23  -1.579  -4.275   8.021
  150   2HA   GLY  23          1HA       GLY  23  -1.908  -4.788   9.679
  151    H    LYS  24           H        LYS  24  -0.308  -2.808   9.855
  152    HA   LYS  24           HA       LYS  24   1.889  -2.027  10.302
  153   1HB   LYS  24          2HB       LYS  24   1.271  -4.574  11.575
  154   2HB   LYS  24          1HB       LYS  24   3.010  -4.373  11.357
  155   1HG   LYS  24          2HG       LYS  24   2.113  -3.431  13.527
  156   2HG   LYS  24          1HG       LYS  24   2.990  -2.268  12.532
  157   1HD   LYS  24          2HD       LYS  24   1.171  -0.949  12.447
  158   2HD   LYS  24          1HD       LYS  24   0.245  -2.260  11.715
  159   1HE   LYS  24          2HE       LYS  24  -0.724  -1.408  13.899
  160   2HE   LYS  24          1HE       LYS  24  -0.341  -3.140  13.918
  161   1HZ   LYS  24          1HZ       LYS  24   1.366  -2.839  15.322
  162   2HZ   LYS  24          2HZ       LYS  24   0.607  -1.368  15.706
  163   3HZ   LYS  24          3HZ       LYS  24   1.874  -1.404  14.576
  164    H    SER  25           H        SER  25   1.418  -3.378   7.624
  165    HA   SER  25           HA       SER  25   4.208  -3.502   6.787
  166   1HB   SER  25          2HB       SER  25   2.547  -5.969   7.245
  167   2HB   SER  25          1HB       SER  25   3.774  -5.967   5.977
  168    HG   SER  25           HG       SER  25   5.315  -5.468   7.526
  169    H    ALA  26           H        ALA  26   4.335  -3.212   4.539
  170    HA   ALA  26           HA       ALA  26   1.863  -3.586   2.917
  171   1HB   ALA  26          1HB       ALA  26   1.957  -1.283   2.157
  172   2HB   ALA  26          2HB       ALA  26   3.469  -1.014   3.025
  173   3HB   ALA  26          3HB       ALA  26   1.971  -1.270   3.920
  174    H    ALA  27           H        ALA  27   2.611  -2.659   0.539
  175    HA   ALA  27           HA       ALA  27   5.179  -4.083  -0.074
  176   1HB   ALA  27          1HB       ALA  27   2.530  -4.343  -1.004
  177   2HB   ALA  27          2HB       ALA  27   3.964  -5.113  -1.685
  178   3HB   ALA  27          3HB       ALA  27   3.414  -3.560  -2.314
  179    H    CYS  28           H        CYS  28   3.120  -1.370  -1.077
  180    HA   CYS  28           HA       CYS  28   3.668   0.721  -1.990
  181   1HB   CYS  28          2HB       CYS  28   5.870  -0.110  -0.218
  182   2HB   CYS  28          1HB       CYS  28   6.340   1.083  -1.420
  183    H    THR  29           H        THR  29   3.494   0.148  -4.221
  184    HA   THR  29           HA       THR  29   5.776  -1.090  -5.616
  185    HB   THR  29           HB       THR  29   3.261  -1.386  -6.072
  186    HG1  THR  29           1HG      THR  29   5.263  -0.829  -7.927
  187   1HG2  THR  29          1HG2      THR  29   3.211   0.881  -7.901
  188   2HG2  THR  29          2HG2      THR  29   3.366   1.398  -6.223
  189   3HG2  THR  29          3HG2      THR  29   2.012   0.380  -6.710
  190    H    LEU  30           H        LEU  30   6.510   1.300  -4.318
  191    HA   LEU  30           HA       LEU  30   6.440   3.530  -6.199
  192   1HB   LEU  30          2HB       LEU  30   7.266   4.722  -4.357
  193   2HB   LEU  30          1HB       LEU  30   6.346   3.430  -3.594
  194    HG   LEU  30           HG       LEU  30   9.347   3.502  -4.009
  195   1HD1  LEU  30          1HD1      LEU  30   8.463   3.038  -1.317
  196   2HD1  LEU  30          2HD1      LEU  30   7.644   4.467  -1.945
  197   3HD1  LEU  30          3HD1      LEU  30   9.407   4.391  -1.941
  198   1HD2  LEU  30          1HD2      LEU  30   8.358   1.203  -4.264
  199   2HD2  LEU  30          2HD2      LEU  30   7.681   1.369  -2.650
  200   3HD2  LEU  30          3HD2      LEU  30   9.428   1.357  -2.874
  201    H    LYS  31           H        LYS  31   8.401   4.571  -6.970
  202    HA   LYS  31           HA       LYS  31  10.823   2.835  -7.176
  203   1HB   LYS  31          2HB       LYS  31   8.932   3.801  -9.263
  204   2HB   LYS  31          1HB       LYS  31  10.644   3.916  -9.659
  205   1HG   LYS  31          2HG       LYS  31  10.809   1.686  -9.958
  206   2HG   LYS  31          1HG       LYS  31  10.016   1.363  -8.415
  207   1HD   LYS  31          2HD       LYS  31   8.635   2.017 -11.035
  208   2HD   LYS  31          1HD       LYS  31   8.664   0.445 -10.236
  209   1HE   LYS  31          2HE       LYS  31   7.627   1.697  -8.199
  210   2HE   LYS  31          1HE       LYS  31   7.229   2.959  -9.382
  211   1HZ   LYS  31          1HZ       LYS  31   6.691   0.128  -9.993
  212   2HZ   LYS  31          2HZ       LYS  31   5.954   1.518 -10.632
  213   3HZ   LYS  31          3HZ       LYS  31   5.588   1.009  -9.053
  214    H    ALA  32           H        ALA  32  11.282   4.633  -5.467
  215    HA   ALA  32           HA       ALA  32  12.588   6.553  -4.986
  216   1HB   ALA  32          1HB       ALA  32  13.945   7.350  -6.729
  217   2HB   ALA  32          2HB       ALA  32  12.690   7.107  -7.944
  218   3HB   ALA  32          3HB       ALA  32  13.564   5.722  -7.289
  219    H    CYS  33           H        CYS  33  12.096   8.835  -4.779
  220    HA   CYS  33           HA       CYS  33   9.818   9.905  -6.346
  221   1HB   CYS  33          2HB       CYS  33   8.810   8.598  -4.534
  222   2HB   CYS  33          1HB       CYS  33   9.789   9.463  -3.344
  223    HA   PRO  34           HA       PRO  34  12.596  13.326  -5.491
  224   1HB   PRO  34          2HB       PRO  34  11.522  14.996  -7.372
  225   2HB   PRO  34          1HB       PRO  34  12.666  13.700  -7.774
  226   1HG   PRO  34          2HG       PRO  34   9.715  13.780  -8.086
  227   2HG   PRO  34          1HG       PRO  34  10.943  13.035  -9.120
  228   1HD   PRO  34          2HD       PRO  34   9.359  11.654  -7.346
  229   2HD   PRO  34          1HD       PRO  34  10.943  11.091  -7.932
  230    H    GLN  35           H        GLN  35   9.237  12.984  -5.095
  231    HA   GLN  35           HA       GLN  35   9.062  14.949  -3.006
  232   1HB   GLN  35          2HB       GLN  35   9.287  16.383  -5.065
  233   2HB   GLN  35          1HB       GLN  35   7.773  15.695  -5.650
  234   1HG   GLN  35          2HG       GLN  35   7.088  17.681  -4.586
  235   2HG   GLN  35          1HG       GLN  35   6.799  16.443  -3.363
  236   1HE2  GLN  35          1HE2      GLN  35   7.041  18.536  -1.940
  237   2HE2  GLN  35          2HE2      GLN  35   8.612  18.906  -1.414
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1   5.587   0.924  12.673
    2   2H    GLU   1          2HT       GLU   1   4.366  -0.058  12.018
    3   3H    GLU   1          3HT       GLU   1   3.993   1.066  13.237
    4    HA   GLU   1           HA       GLU   1   4.053   2.859  11.825
    5   1HB   GLU   1          2HB       GLU   1   5.431   2.586   9.658
    6   2HB   GLU   1          1HB       GLU   1   6.332   2.605  11.175
    7   1HG   GLU   1          2HG       GLU   1   6.492   0.194  11.190
    8   2HG   GLU   1          1HG       GLU   1   5.407   0.066   9.806
    9    H    VAL   2           H        VAL   2   3.299   3.093   9.343
   10    HA   VAL   2           HA       VAL   2   1.601   2.616   7.780
   11    HB   VAL   2           HB       VAL   2   2.359  -0.203   8.615
   12   1HG1  VAL   2          1HG1      VAL   2   1.143  -0.984   6.849
   13   2HG1  VAL   2          2HG1      VAL   2   1.523   0.413   5.843
   14   3HG1  VAL   2          3HG1      VAL   2   0.244   0.519   7.053
   15   1HG2  VAL   2          1HG2      VAL   2   4.174   1.476   7.785
   16   2HG2  VAL   2          2HG2      VAL   2   3.392   1.298   6.213
   17   3HG2  VAL   2          3HG2      VAL   2   4.086  -0.110   7.018
   18    H    THR   3           H        THR   3   1.020  -0.173   9.899
   19    HA   THR   3           HA       THR   3  -0.949  -0.814  11.050
   20    HB   THR   3           HB       THR   3  -0.777   2.175  11.551
   21    HG1  THR   3           1HG      THR   3   0.965   1.341  12.451
   22   1HG2  THR   3          1HG2      THR   3  -2.672   2.015  12.744
   23   2HG2  THR   3          2HG2      THR   3  -1.972   0.708  13.700
   24   3HG2  THR   3          3HG2      THR   3  -2.851   0.342  12.216
   25    H    CYS   4           H        CYS   4  -2.212  -1.370   9.161
   26    HA   CYS   4           HA       CYS   4  -4.487   0.473   8.697
   27   1HB   CYS   4          2HB       CYS   4  -4.073   0.201   6.193
   28   2HB   CYS   4          1HB       CYS   4  -2.886   1.192   7.047
   29    H    GLU   5           H        GLU   5  -5.659  -0.894   6.574
   30    HA   GLU   5           HA       GLU   5  -6.271  -3.526   7.838
   31   1HB   GLU   5          2HB       GLU   5  -7.683  -1.431   6.334
   32   2HB   GLU   5          1HB       GLU   5  -8.083  -3.064   5.799
   33   1HG   GLU   5          2HG       GLU   5  -9.599  -2.849   7.529
   34   2HG   GLU   5          1HG       GLU   5  -8.225  -3.505   8.420
   35    HA   PRO   6           HA       PRO   6  -4.064  -5.524   4.560
   36   1HB   PRO   6          2HB       PRO   6  -5.064  -8.046   4.952
   37   2HB   PRO   6          1HB       PRO   6  -3.826  -7.322   5.998
   38   1HG   PRO   6          2HG       PRO   6  -6.759  -7.579   6.439
   39   2HG   PRO   6          1HG       PRO   6  -5.425  -7.774   7.586
   40   1HD   PRO   6          2HD       PRO   6  -6.958  -5.533   7.459
   41   2HD   PRO   6          1HD       PRO   6  -5.254  -5.519   7.974
   42    H    GLY   7           H        GLY   7  -4.930  -4.793   2.616
   43   1HA   GLY   7          2HA       GLY   7  -6.107  -5.735   0.616
   44   2HA   GLY   7          1HA       GLY   7  -7.455  -6.111   1.697
   45    H    THR   8           H        THR   8  -5.654  -3.129   2.002
   46    HA   THR   8           HA       THR   8  -7.933  -1.632   0.760
   47    HB   THR   8           HB       THR   8  -6.556  -1.157   3.421
   48    HG1  THR   8           1HG      THR   8  -8.807  -1.530   4.096
   49   1HG2  THR   8          1HG2      THR   8  -8.392   0.487   1.746
   50   2HG2  THR   8          2HG2      THR   8  -7.121   0.998   2.856
   51   3HG2  THR   8          3HG2      THR   8  -8.683   0.471   3.486
   52    H    THR   9           H        THR   9  -4.524  -1.730   1.644
   53    HA   THR   9           HA       THR   9  -2.710  -0.338   1.053
   54    HB   THR   9           HB       THR   9  -3.435  -1.686  -0.986
   55    HG1  THR   9           1HG      THR   9  -1.984  -0.609  -2.244
   56   1HG2  THR   9          1HG2      THR   9  -5.464  -0.678  -1.656
   57   2HG2  THR   9          2HG2      THR   9  -4.297  -0.139  -2.862
   58   3HG2  THR   9          3HG2      THR   9  -4.788   0.948  -1.564
   59    H    PHE  10           H        PHE  10  -2.324   1.831  -0.450
   60    HA   PHE  10           HA       PHE  10  -4.292   3.877  -0.509
   61   1HB   PHE  10          2HB       PHE  10  -3.473   5.067   1.630
   62   2HB   PHE  10          1HB       PHE  10  -4.509   3.659   1.855
   63    HD1  PHE  10           1HD      PHE  10  -3.687   1.651   2.886
   64    HD2  PHE  10           2HD      PHE  10  -0.992   4.851   1.910
   65    HE1  PHE  10           1HE      PHE  10  -1.901   0.552   4.210
   66    HE2  PHE  10           2HE      PHE  10   0.794   3.750   3.233
   67    HZ   PHE  10           HZ       PHE  10   0.339   1.601   4.383
   68    H    LYS  11           H        LYS  11  -2.816   6.133   0.167
   69    HA   LYS  11           HA       LYS  11  -0.296   5.825  -1.438
   70   1HB   LYS  11          2HB       LYS  11  -2.594   7.084  -2.207
   71   2HB   LYS  11          1HB       LYS  11  -1.729   8.419  -1.443
   72   1HG   LYS  11          2HG       LYS  11  -0.266   8.558  -3.153
   73   2HG   LYS  11          1HG       LYS  11   0.040   6.820  -3.114
   74   1HD   LYS  11          2HD       LYS  11  -1.894   6.373  -4.480
   75   2HD   LYS  11          1HD       LYS  11  -2.433   8.048  -4.358
   76   1HE   LYS  11          2HE       LYS  11  -1.001   8.746  -5.994
   77   2HE   LYS  11          1HE       LYS  11   0.319   7.718  -5.400
   78   1HZ   LYS  11          1HZ       LYS  11  -1.035   7.144  -7.599
   79   2HZ   LYS  11          2HZ       LYS  11  -2.034   6.366  -6.465
   80   3HZ   LYS  11          3HZ       LYS  11  -0.394   5.943  -6.587
   81    H    ASP  12           H        ASP  12   1.425   6.260  -0.121
   82    HA   ASP  12           HA       ASP  12   1.046   8.117   2.189
   83   1HB   ASP  12          2HB       ASP  12   1.853   5.714   2.432
   84   2HB   ASP  12          1HB       ASP  12   3.319   6.209   1.579
   85    H    LYS  13           H        LYS  13   3.074   7.491  -0.642
   86    HA   LYS  13           HA       LYS  13   4.094  10.296  -0.453
   87   1HB   LYS  13          2HB       LYS  13   5.798   7.910  -1.214
   88   2HB   LYS  13          1HB       LYS  13   6.336   9.527  -0.751
   89   1HG   LYS  13          2HG       LYS  13   5.227   9.081   1.517
   90   2HG   LYS  13          1HG       LYS  13   5.123   7.394   1.014
   91   1HD   LYS  13          2HD       LYS  13   7.384   7.060   1.179
   92   2HD   LYS  13          1HD       LYS  13   7.768   8.705   0.670
   93   1HE   LYS  13          2HE       LYS  13   6.482   9.121   3.087
   94   2HE   LYS  13          1HE       LYS  13   7.418   7.644   3.386
   95   1HZ   LYS  13          1HZ       LYS  13   9.204   8.985   2.016
   96   2HZ   LYS  13          2HZ       LYS  13   9.051   9.181   3.697
   97   3HZ   LYS  13          3HZ       LYS  13   8.357  10.316   2.640
   98    H    CYS  14           H        CYS  14   5.841   8.981  -2.841
   99    HA   CYS  14           HA       CYS  14   3.979   9.904  -4.931
  100   1HB   CYS  14          2HB       CYS  14   6.760   8.727  -5.200
  101   2HB   CYS  14          1HB       CYS  14   5.943   9.830  -6.313
  102    H    ASN  15           H        ASN  15   4.034   7.122  -3.305
  103    HA   ASN  15           HA       ASN  15   3.254   5.518  -5.705
  104   1HB   ASN  15          2HB       ASN  15   5.190   4.735  -3.503
  105   2HB   ASN  15          1HB       ASN  15   4.584   3.630  -4.734
  106   1HD2  ASN  15          1HD2      ASN  15   7.226   5.506  -4.047
  107   2HD2  ASN  15          2HD2      ASN  15   7.761   5.838  -5.632
  108    H    THR  16           H        THR  16   2.255   3.350  -4.842
  109    HA   THR  16           HA       THR  16   0.409   4.049  -2.591
  110    HB   THR  16           HB       THR  16   0.286   2.359  -5.080
  111    HG1  THR  16           1HG      THR  16  -0.456   4.580  -4.911
  112   1HG2  THR  16          1HG2      THR  16  -1.558   2.108  -2.687
  113   2HG2  THR  16          2HG2      THR  16  -0.465   0.861  -3.287
  114   3HG2  THR  16          3HG2      THR  16  -1.836   1.375  -4.268
  115    H    CYS  17           H        CYS  17   0.581   2.951  -0.734
  116    HA   CYS  17           HA       CYS  17   2.421   0.615  -0.607
  117   1HB   CYS  17          2HB       CYS  17   2.046   2.970   0.852
  118   2HB   CYS  17          1HB       CYS  17   1.403   1.697   1.886
  119    H    ARG  18           H        ARG  18   1.362  -1.294  -0.827
  120    HA   ARG  18           HA       ARG  18  -1.453  -1.662  -0.239
  121   1HB   ARG  18          2HB       ARG  18  -0.528  -2.992  -1.949
  122   2HB   ARG  18          1HB       ARG  18   0.911  -3.368  -1.003
  123   1HG   ARG  18          2HG       ARG  18  -0.548  -5.330  -1.099
  124   2HG   ARG  18          1HG       ARG  18  -0.491  -4.711   0.551
  125   1HD   ARG  18          2HD       ARG  18  -2.683  -3.958   0.490
  126   2HD   ARG  18          1HD       ARG  18  -2.647  -3.680  -1.263
  127    HE   ARG  18           HE       ARG  18  -2.361  -6.492  -0.428
  128   1HH1  ARG  18          1HH1      ARG  18  -4.723  -4.057  -0.745
  129   2HH1  ARG  18          2HH1      ARG  18  -5.823  -5.032  -1.659
  130   1HH2  ARG  18          1HH2      ARG  18  -3.642  -7.714  -1.925
  131   2HH2  ARG  18          2HH2      ARG  18  -5.213  -7.104  -2.324
  132    H    CYS  19           H        CYS  19  -2.324  -2.103   1.742
  133    HA   CYS  19           HA       CYS  19  -0.791  -2.275   4.146
  134   1HB   CYS  19          2HB       CYS  19  -3.249  -1.643   3.717
  135   2HB   CYS  19          1HB       CYS  19  -3.569  -3.379   3.698
  136    H    GLY  20           H        GLY  20   0.453  -3.985   4.794
  137   1HA   GLY  20          2HA       GLY  20   0.673  -6.482   3.575
  138   2HA   GLY  20          1HA       GLY  20   1.042  -6.212   5.282
  139    H    SER  21           H        SER  21   0.045  -8.641   4.761
  140    HA   SER  21           HA       SER  21  -2.854  -8.800   4.788
  141   1HB   SER  21          2HB       SER  21  -0.734 -10.471   4.312
  142   2HB   SER  21          1HB       SER  21  -1.240 -11.010   5.910
  143    HG   SER  21           HG       SER  21  -2.301 -11.772   3.741
  144    H    ASP  22           H        ASP  22  -0.583  -7.917   7.154
  145    HA   ASP  22           HA       ASP  22  -2.601  -8.408   9.312
  146   1HB   ASP  22          2HB       ASP  22  -0.630  -8.988  10.769
  147   2HB   ASP  22          1HB       ASP  22  -0.887 -10.130   9.446
  148    H    GLY  23           H        GLY  23  -2.255  -5.948   7.917
  149   1HA   GLY  23          2HA       GLY  23  -1.729  -3.678   8.257
  150   2HA   GLY  23          1HA       GLY  23  -2.084  -4.051   9.946
  151    H    LYS  24           H        LYS  24  -0.298  -2.266  10.053
  152    HA   LYS  24           HA       LYS  24   1.976  -1.680  10.432
  153   1HB   LYS  24          2HB       LYS  24   1.235  -4.240  11.724
  154   2HB   LYS  24          1HB       LYS  24   2.971  -3.939  11.628
  155   1HG   LYS  24          2HG       LYS  24   2.795  -1.904  12.839
  156   2HG   LYS  24          1HG       LYS  24   1.044  -1.837  12.626
  157   1HD   LYS  24          2HD       LYS  24   1.664  -4.323  13.877
  158   2HD   LYS  24          1HD       LYS  24   2.522  -3.055  14.754
  159   1HE   LYS  24          2HE       LYS  24   0.030  -1.913  14.315
  160   2HE   LYS  24          1HE       LYS  24  -0.355  -3.611  14.657
  161   1HZ   LYS  24          1HZ       LYS  24   0.071  -1.950  16.611
  162   2HZ   LYS  24          2HZ       LYS  24   1.703  -2.267  16.263
  163   3HZ   LYS  24          3HZ       LYS  24   0.661  -3.539  16.693
  164    H    SER  25           H        SER  25   1.525  -2.665   7.766
  165    HA   SER  25           HA       SER  25   4.244  -3.450   7.053
  166   1HB   SER  25          2HB       SER  25   1.930  -5.396   7.013
  167   2HB   SER  25          1HB       SER  25   3.339  -5.619   5.973
  168    HG   SER  25           HG       SER  25   3.173  -5.591   8.794
  169    H    ALA  26           H        ALA  26   4.614  -2.710   4.966
  170    HA   ALA  26           HA       ALA  26   2.322  -2.465   3.090
  171   1HB   ALA  26          1HB       ALA  26   2.445  -0.129   2.974
  172   2HB   ALA  26          2HB       ALA  26   4.095  -0.089   3.595
  173   3HB   ALA  26          3HB       ALA  26   2.750  -0.418   4.687
  174    H    ALA  27           H        ALA  27   2.983  -2.883   1.017
  175    HA   ALA  27           HA       ALA  27   5.792  -3.537   0.489
  176   1HB   ALA  27          1HB       ALA  27   4.833  -4.758  -1.177
  177   2HB   ALA  27          2HB       ALA  27   3.866  -3.392  -1.733
  178   3HB   ALA  27          3HB       ALA  27   3.313  -4.369  -0.372
  179    H    CYS  28           H        CYS  28   3.441  -1.159  -0.699
  180    HA   CYS  28           HA       CYS  28   3.770   0.929  -1.723
  181   1HB   CYS  28          2HB       CYS  28   6.171   0.362  -0.131
  182   2HB   CYS  28          1HB       CYS  28   6.460   1.485  -1.459
  183    H    THR  29           H        THR  29   3.720   1.089  -3.896
  184    HA   THR  29           HA       THR  29   4.988  -0.767  -5.673
  185    HB   THR  29           HB       THR  29   4.002   0.594  -7.364
  186    HG1  THR  29           1HG      THR  29   4.621   2.597  -7.153
  187   1HG2  THR  29          1HG2      THR  29   1.874   0.378  -6.642
  188   2HG2  THR  29          2HG2      THR  29   2.112   1.557  -5.354
  189   3HG2  THR  29          3HG2      THR  29   2.565  -0.128  -5.101
  190    H    LEU  30           H        LEU  30   5.988   2.386  -4.430
  191    HA   LEU  30           HA       LEU  30   8.053   3.522  -4.617
  192   1HB   LEU  30          2HB       LEU  30   8.983   0.799  -5.587
  193   2HB   LEU  30          1HB       LEU  30   9.978   2.052  -4.847
  194    HG   LEU  30           HG       LEU  30   7.605   0.869  -3.406
  195   1HD1  LEU  30          1HD1      LEU  30   8.935  -0.834  -2.482
  196   2HD1  LEU  30          2HD1      LEU  30  10.440  -0.050  -2.964
  197   3HD1  LEU  30          3HD1      LEU  30   9.425  -0.835  -4.175
  198   1HD2  LEU  30          1HD2      LEU  30   8.897   1.655  -1.431
  199   2HD2  LEU  30          2HD2      LEU  30   8.526   2.976  -2.540
  200   3HD2  LEU  30          3HD2      LEU  30  10.144   2.274  -2.513
  201    H    LYS  31           H        LYS  31  10.044   2.557  -6.734
  202    HA   LYS  31           HA       LYS  31  10.542   3.108  -8.972
  203   1HB   LYS  31          2HB       LYS  31   9.216   1.613 -10.031
  204   2HB   LYS  31          1HB       LYS  31   8.001   1.739  -8.766
  205   1HG   LYS  31          2HG       LYS  31   7.229   3.894  -9.940
  206   2HG   LYS  31          1HG       LYS  31   8.235   3.381 -11.296
  207   1HD   LYS  31          2HD       LYS  31   6.213   2.407 -11.885
  208   2HD   LYS  31          1HD       LYS  31   6.939   1.092 -10.959
  209   1HE   LYS  31          2HE       LYS  31   4.983   1.165  -9.767
  210   2HE   LYS  31          1HE       LYS  31   5.719   2.572  -8.976
  211   1HZ   LYS  31          1HZ       LYS  31   4.848   3.926 -10.861
  212   2HZ   LYS  31          2HZ       LYS  31   3.640   3.274  -9.861
  213   3HZ   LYS  31          3HZ       LYS  31   3.966   2.571 -11.372
  214    H    ALA  32           H        ALA  32   9.112   5.134  -6.973
  215    HA   ALA  32           HA       ALA  32   8.928   7.303  -9.000
  216   1HB   ALA  32          1HB       ALA  32   6.798   6.942  -6.894
  217   2HB   ALA  32          2HB       ALA  32   6.678   6.121  -8.450
  218   3HB   ALA  32          3HB       ALA  32   6.719   7.883  -8.383
  219    H    CYS  33           H        CYS  33   8.145   9.363  -7.399
  220    HA   CYS  33           HA       CYS  33   8.884  10.832  -5.702
  221   1HB   CYS  33          2HB       CYS  33   8.569   8.238  -4.626
  222   2HB   CYS  33          1HB       CYS  33  10.100   8.842  -3.987
  223    HA   PRO  34           HA       PRO  34  13.111  11.221  -7.008
  224   1HB   PRO  34          2HB       PRO  34  13.611  13.605  -5.763
  225   2HB   PRO  34          1HB       PRO  34  12.676  13.478  -7.266
  226   1HG   PRO  34          2HG       PRO  34  11.720  13.798  -4.464
  227   2HG   PRO  34          1HG       PRO  34  11.107  14.529  -5.956
  228   1HD   PRO  34          2HD       PRO  34   9.921  12.405  -4.731
  229   2HD   PRO  34          1HD       PRO  34   9.832  12.701  -6.484
  230    H    GLN  35           H        GLN  35  12.087  11.597  -3.642
  231    HA   GLN  35           HA       GLN  35  14.692  10.376  -2.796
  232   1HB   GLN  35          2HB       GLN  35  14.649  11.945  -0.879
  233   2HB   GLN  35          1HB       GLN  35  14.658  12.817  -2.413
  234   1HG   GLN  35          2HG       GLN  35  12.970  13.906  -1.183
  235   2HG   GLN  35          1HG       GLN  35  12.070  12.782  -2.201
  236   1HE2  GLN  35          1HE2      GLN  35  10.429  11.837  -0.986
  237   2HE2  GLN  35          2HE2      GLN  35  10.580  11.322   0.624
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1   4.255   3.522  11.568
    2   2H    GLU   1          2HT       GLU   1   2.780   4.299  11.243
    3   3H    GLU   1          3HT       GLU   1   4.182   5.216  11.528
    4    HA   GLU   1           HA       GLU   1   4.202   5.326   9.267
    5   1HB   GLU   1          2HB       GLU   1   5.882   3.460  10.521
    6   2HB   GLU   1          1HB       GLU   1   5.329   2.651   9.053
    7   1HG   GLU   1          2HG       GLU   1   6.098   5.489   8.713
    8   2HG   GLU   1          1HG       GLU   1   7.421   4.394   9.114
    9    H    VAL   2           H        VAL   2   3.663   1.801   9.594
   10    HA   VAL   2           HA       VAL   2   1.715   1.933   7.371
   11    HB   VAL   2           HB       VAL   2   2.859  -0.382   8.968
   12   1HG1  VAL   2          1HG1      VAL   2   2.210  -1.468   6.624
   13   2HG1  VAL   2          2HG1      VAL   2   1.032  -0.156   6.608
   14   3HG1  VAL   2          3HG1      VAL   2   1.024  -1.333   7.922
   15   1HG2  VAL   2          1HG2      VAL   2   4.755   0.091   7.840
   16   2HG2  VAL   2          2HG2      VAL   2   3.944   1.323   6.871
   17   3HG2  VAL   2          3HG2      VAL   2   3.894  -0.368   6.371
   18    H    THR   3           H        THR   3   1.499  -0.220  10.174
   19    HA   THR   3           HA       THR   3  -0.440  -0.849  11.379
   20    HB   THR   3           HB       THR   3  -0.584   0.701  13.034
   21    HG1  THR   3           1HG      THR   3  -1.674   2.444  12.676
   22   1HG2  THR   3          1HG2      THR   3   1.800   0.848  12.323
   23   2HG2  THR   3          2HG2      THR   3   1.217   2.330  13.080
   24   3HG2  THR   3          3HG2      THR   3   1.381   2.242  11.326
   25    H    CYS   4           H        CYS   4  -1.013  -0.550   8.607
   26    HA   CYS   4           HA       CYS   4  -3.575   0.959   8.490
   27   1HB   CYS   4          2HB       CYS   4  -3.294   0.496   6.042
   28   2HB   CYS   4          1HB       CYS   4  -1.901   1.319   6.751
   29    H    GLU   5           H        GLU   5  -5.273  -0.263   7.038
   30    HA   GLU   5           HA       GLU   5  -5.860  -2.843   8.354
   31   1HB   GLU   5          2HB       GLU   5  -7.500  -0.955   8.000
   32   2HB   GLU   5          1HB       GLU   5  -7.392  -1.256   6.265
   33   1HG   GLU   5          2HG       GLU   5  -7.903  -3.766   7.104
   34   2HG   GLU   5          1HG       GLU   5  -8.711  -2.868   8.390
   35    HA   PRO   6           HA       PRO   6  -4.142  -5.166   5.007
   36   1HB   PRO   6          2HB       PRO   6  -5.415  -7.545   5.524
   37   2HB   PRO   6          1HB       PRO   6  -4.026  -6.958   6.461
   38   1HG   PRO   6          2HG       PRO   6  -6.939  -6.804   7.098
   39   2HG   PRO   6          1HG       PRO   6  -5.572  -7.200   8.156
   40   1HD   PRO   6          2HD       PRO   6  -6.725  -4.761   8.158
   41   2HD   PRO   6          1HD       PRO   6  -4.983  -4.985   8.449
   42    H    GLY   7           H        GLY   7  -4.783  -5.388   2.890
   43   1HA   GLY   7          2HA       GLY   7  -6.218  -5.713   1.039
   44   2HA   GLY   7          1HA       GLY   7  -7.516  -6.121   2.168
   45    H    THR   8           H        THR   8  -5.511  -3.204   1.573
   46    HA   THR   8           HA       THR   8  -7.895  -1.641   0.863
   47    HB   THR   8           HB       THR   8  -6.425  -1.292   3.491
   48    HG1  THR   8           1HG      THR   8  -8.003  -2.487   4.138
   49   1HG2  THR   8          1HG2      THR   8  -8.321   0.484   1.980
   50   2HG2  THR   8          2HG2      THR   8  -6.846   0.915   2.849
   51   3HG2  THR   8          3HG2      THR   8  -8.310   0.505   3.744
   52    H    THR   9           H        THR   9  -4.452  -1.708   1.681
   53    HA   THR   9           HA       THR   9  -2.679  -0.279   1.052
   54    HB   THR   9           HB       THR   9  -3.433  -1.635  -0.983
   55    HG1  THR   9           1HG      THR   9  -1.798  -0.756  -1.965
   56   1HG2  THR   9          1HG2      THR   9  -4.315  -0.070  -2.839
   57   2HG2  THR   9          2HG2      THR   9  -4.808   0.996  -1.525
   58   3HG2  THR   9          3HG2      THR   9  -5.470  -0.636  -1.635
   59    H    PHE  10           H        PHE  10  -2.386   1.938  -0.431
   60    HA   PHE  10           HA       PHE  10  -4.429   3.913  -0.417
   61   1HB   PHE  10          2HB       PHE  10  -3.647   5.076   1.744
   62   2HB   PHE  10          1HB       PHE  10  -4.606   3.613   1.951
   63    HD1  PHE  10           1HD      PHE  10  -3.734   1.760   3.133
   64    HD2  PHE  10           2HD      PHE  10  -1.084   4.845   1.751
   65    HE1  PHE  10           1HE      PHE  10  -1.865   0.714   4.382
   66    HE2  PHE  10           2HE      PHE  10   0.786   3.798   3.002
   67    HZ   PHE  10           HZ       PHE  10   0.396   1.732   4.318
   68    H    LYS  11           H        LYS  11  -3.335   6.225  -0.157
   69    HA   LYS  11           HA       LYS  11  -0.848   6.175  -1.779
   70   1HB   LYS  11          2HB       LYS  11  -3.183   7.887  -1.352
   71   2HB   LYS  11          1HB       LYS  11  -1.678   8.807  -1.340
   72   1HG   LYS  11          2HG       LYS  11  -1.035   7.741  -3.491
   73   2HG   LYS  11          1HG       LYS  11  -2.584   6.898  -3.515
   74   1HD   LYS  11          2HD       LYS  11  -3.080   8.770  -4.807
   75   2HD   LYS  11          1HD       LYS  11  -3.569   9.326  -3.206
   76   1HE   LYS  11          2HE       LYS  11  -2.093  11.032  -3.386
   77   2HE   LYS  11          1HE       LYS  11  -0.772   9.850  -3.473
   78   1HZ   LYS  11          1HZ       LYS  11  -1.134   9.599  -5.815
   79   2HZ   LYS  11          2HZ       LYS  11  -0.946  11.255  -5.487
   80   3HZ   LYS  11          3HZ       LYS  11  -2.491  10.613  -5.772
   81    H    ASP  12           H        ASP  12   1.134   6.811  -0.910
   82    HA   ASP  12           HA       ASP  12   1.107   8.033   1.824
   83   1HB   ASP  12          2HB       ASP  12   1.491   5.504   1.689
   84   2HB   ASP  12          1HB       ASP  12   3.021   5.887   0.891
   85    H    LYS  13           H        LYS  13   3.192   7.254  -0.972
   86    HA   LYS  13           HA       LYS  13   4.571   9.874  -0.503
   87   1HB   LYS  13          2HB       LYS  13   5.700   7.210  -1.416
   88   2HB   LYS  13          1HB       LYS  13   6.631   8.701  -1.230
   89   1HG   LYS  13          2HG       LYS  13   5.305   8.486   1.194
   90   2HG   LYS  13          1HG       LYS  13   5.713   6.814   0.815
   91   1HD   LYS  13          2HD       LYS  13   8.020   8.202   0.138
   92   2HD   LYS  13          1HD       LYS  13   7.466   9.019   1.600
   93   1HE   LYS  13          2HE       LYS  13   7.638   7.081   2.909
   94   2HE   LYS  13          1HE       LYS  13   7.533   6.006   1.500
   95   1HZ   LYS  13          1HZ       LYS  13   9.729   7.961   1.744
   96   2HZ   LYS  13          2HZ       LYS  13   9.670   6.533   0.825
   97   3HZ   LYS  13          3HZ       LYS  13   9.840   6.454   2.513
   98    H    CYS  14           H        CYS  14   5.827   8.186  -3.152
   99    HA   CYS  14           HA       CYS  14   4.366   9.988  -5.011
  100   1HB   CYS  14          2HB       CYS  14   6.258   9.471  -6.484
  101   2HB   CYS  14          1HB       CYS  14   6.857   9.906  -4.880
  102    H    ASN  15           H        ASN  15   3.244   7.362  -3.885
  103    HA   ASN  15           HA       ASN  15   2.112   6.395  -6.387
  104   1HB   ASN  15          2HB       ASN  15   4.536   5.212  -5.247
  105   2HB   ASN  15          1HB       ASN  15   3.255   4.025  -5.493
  106   1HD2  ASN  15          1HD2      ASN  15   5.238   3.505  -7.158
  107   2HD2  ASN  15          2HD2      ASN  15   4.978   4.117  -8.730
  108    H    THR  16           H        THR  16   2.818   4.234  -3.711
  109    HA   THR  16           HA       THR  16   0.576   4.735  -2.039
  110    HB   THR  16           HB       THR  16   0.092   3.396  -4.633
  111    HG1  THR  16           1HG      THR  16  -1.819   4.384  -4.374
  112   1HG2  THR  16          1HG2      THR  16  -1.562   1.816  -3.810
  113   2HG2  THR  16          2HG2      THR  16  -1.250   2.301  -2.143
  114   3HG2  THR  16          3HG2      THR  16  -0.007   1.449  -3.061
  115    H    CYS  17           H        CYS  17  -0.012   2.632  -0.786
  116    HA   CYS  17           HA       CYS  17   2.278   0.709  -0.752
  117   1HB   CYS  17          2HB       CYS  17   2.053   2.833   0.952
  118   2HB   CYS  17          1HB       CYS  17   1.175   1.594   1.854
  119    H    ARG  18           H        ARG  18   1.427  -1.334  -0.829
  120    HA   ARG  18           HA       ARG  18  -1.422  -1.811  -0.384
  121   1HB   ARG  18          2HB       ARG  18  -0.383  -3.035  -2.125
  122   2HB   ARG  18          1HB       ARG  18   1.012  -3.437  -1.124
  123   1HG   ARG  18          2HG       ARG  18  -0.428  -5.404  -1.368
  124   2HG   ARG  18          1HG       ARG  18  -0.449  -4.852   0.306
  125   1HD   ARG  18          2HD       ARG  18  -2.576  -3.613  -0.167
  126   2HD   ARG  18          1HD       ARG  18  -2.575  -4.311  -1.799
  127    HE   ARG  18           HE       ARG  18  -3.196  -5.751   0.660
  128   1HH1  ARG  18          1HH2      ARG  18  -3.601  -5.947  -2.567
  129   2HH1  ARG  18          2HH2      ARG  18  -3.189  -7.620  -2.745
  130   1HH2  ARG  18          1HH1      ARG  18  -1.925  -7.927   0.467
  131   2HH2  ARG  18          2HH1      ARG  18  -2.244  -8.741  -1.028
  132    H    CYS  19           H        CYS  19  -2.291  -2.258   1.598
  133    HA   CYS  19           HA       CYS  19  -0.626  -2.683   3.947
  134   1HB   CYS  19          2HB       CYS  19  -2.954  -1.548   3.637
  135   2HB   CYS  19          1HB       CYS  19  -3.593  -3.193   3.728
  136    H    GLY  20           H        GLY  20   0.360  -4.646   4.264
  137   1HA   GLY  20          2HA       GLY  20  -0.267  -7.079   3.000
  138   2HA   GLY  20          1HA       GLY  20   0.594  -6.966   4.538
  139    H    SER  21           H        SER  21  -0.798  -9.089   4.671
  140    HA   SER  21           HA       SER  21  -3.632  -8.727   5.309
  141   1HB   SER  21          2HB       SER  21  -2.026 -10.763   4.443
  142   2HB   SER  21          1HB       SER  21  -2.181 -11.165   6.150
  143    HG   SER  21           HG       SER  21  -3.929 -12.071   5.207
  144    H    ASP  22           H        ASP  22  -0.735  -8.223   7.006
  145    HA   ASP  22           HA       ASP  22  -1.964  -8.830   9.655
  146   1HB   ASP  22          2HB       ASP  22   0.765  -8.555   8.490
  147   2HB   ASP  22          1HB       ASP  22   0.574  -8.072  10.180
  148    H    GLY  23           H        GLY  23  -1.982  -6.309   7.567
  149   1HA   GLY  23          2HA       GLY  23  -2.544  -4.047   7.896
  150   2HA   GLY  23          1HA       GLY  23  -2.610  -4.375   9.631
  151    H    LYS  24           H        LYS  24  -0.198  -4.993  10.449
  152    HA   LYS  24           HA       LYS  24   1.371  -2.556  10.024
  153   1HB   LYS  24          2HB       LYS  24   1.604  -5.069  11.691
  154   2HB   LYS  24          1HB       LYS  24   2.866  -3.837  11.696
  155   1HG   LYS  24          2HG       LYS  24   1.654  -2.502  13.045
  156   2HG   LYS  24          1HG       LYS  24   0.250  -2.623  11.984
  157   1HD   LYS  24          2HD       LYS  24  -0.328  -3.521  14.176
  158   2HD   LYS  24          1HD       LYS  24  -0.283  -4.838  13.004
  159   1HE   LYS  24          2HE       LYS  24   2.288  -4.925  13.814
  160   2HE   LYS  24          1HE       LYS  24   1.543  -4.291  15.296
  161   1HZ   LYS  24          1HZ       LYS  24   1.542  -6.823  14.929
  162   2HZ   LYS  24          2HZ       LYS  24   0.297  -6.518  13.814
  163   3HZ   LYS  24          3HZ       LYS  24   0.104  -6.084  15.446
  164    H    SER  25           H        SER  25   1.310  -3.697   7.570
  165    HA   SER  25           HA       SER  25   4.120  -4.322   7.056
  166   1HB   SER  25          2HB       SER  25   1.921  -6.396   6.863
  167   2HB   SER  25          1HB       SER  25   3.449  -6.561   5.996
  168    HG   SER  25           HG       SER  25   4.075  -7.405   7.827
  169    H    ALA  26           H        ALA  26   4.144  -2.702   5.466
  170    HA   ALA  26           HA       ALA  26   2.095  -2.894   3.294
  171   1HB   ALA  26          1HB       ALA  26   2.627  -0.806   4.851
  172   2HB   ALA  26          2HB       ALA  26   2.270  -0.576   3.138
  173   3HB   ALA  26          3HB       ALA  26   3.942  -0.565   3.701
  174    H    ALA  27           H        ALA  27   2.977  -2.360   1.083
  175    HA   ALA  27           HA       ALA  27   5.692  -3.571   0.734
  176   1HB   ALA  27          1HB       ALA  27   4.427  -4.897  -0.613
  177   2HB   ALA  27          2HB       ALA  27   4.376  -3.518  -1.713
  178   3HB   ALA  27          3HB       ALA  27   3.069  -3.773  -0.556
  179    H    CYS  28           H        CYS  28   3.531  -1.046  -0.484
  180    HA   CYS  28           HA       CYS  28   3.986   1.033  -1.456
  181   1HB   CYS  28          2HB       CYS  28   6.321   0.352   0.252
  182   2HB   CYS  28          1HB       CYS  28   6.551   1.671  -0.896
  183    H    THR  29           H        THR  29   3.920   0.723  -3.672
  184    HA   THR  29           HA       THR  29   5.977  -0.772  -5.111
  185    HB   THR  29           HB       THR  29   3.574  -0.649  -5.746
  186    HG1  THR  29           1HG      THR  29   5.104   0.650  -7.727
  187   1HG2  THR  29          1HG2      THR  29   3.505   1.868  -7.047
  188   2HG2  THR  29          2HG2      THR  29   4.083   2.160  -5.406
  189   3HG2  THR  29          3HG2      THR  29   2.541   1.343  -5.666
  190    H    LEU  30           H        LEU  30   7.712   0.765  -4.077
  191    HA   LEU  30           HA       LEU  30   7.979   3.482  -4.920
  192   1HB   LEU  30          2HB       LEU  30  10.175   1.479  -4.331
  193   2HB   LEU  30          1HB       LEU  30  10.221   3.224  -4.071
  194    HG   LEU  30           HG       LEU  30   7.925   2.198  -2.719
  195   1HD1  LEU  30          1HD1      LEU  30   8.708   0.457  -1.388
  196   2HD1  LEU  30          2HD1      LEU  30  10.398   0.890  -1.637
  197   3HD1  LEU  30          3HD1      LEU  30   9.498   0.084  -2.920
  198   1HD2  LEU  30          1HD2      LEU  30  10.124   3.953  -2.313
  199   2HD2  LEU  30          2HD2      LEU  30  10.101   2.835  -0.949
  200   3HD2  LEU  30          3HD2      LEU  30   8.673   3.800  -1.323
  201    H    LYS  31           H        LYS  31   8.952   4.384  -6.736
  202    HA   LYS  31           HA       LYS  31  10.214   2.583  -8.744
  203   1HB   LYS  31          2HB       LYS  31   7.547   3.343  -8.839
  204   2HB   LYS  31          1HB       LYS  31   8.333   4.525  -9.888
  205   1HG   LYS  31          2HG       LYS  31   7.813   2.700 -11.319
  206   2HG   LYS  31          1HG       LYS  31   9.532   2.520 -10.965
  207   1HD   LYS  31          2HD       LYS  31   8.270   0.373 -10.748
  208   2HD   LYS  31          1HD       LYS  31   9.047   0.865  -9.242
  209   1HE   LYS  31          2HE       LYS  31   7.048   1.203  -8.180
  210   2HE   LYS  31          1HE       LYS  31   6.294   1.903  -9.625
  211   1HZ   LYS  31          1HZ       LYS  31   6.560  -0.907  -8.846
  212   2HZ   LYS  31          2HZ       LYS  31   6.666  -0.539 -10.502
  213   3HZ   LYS  31          3HZ       LYS  31   5.274  -0.120  -9.623
  214    H    ALA  32           H        ALA  32   9.317   5.919  -7.844
  215    HA   ALA  32           HA       ALA  32  12.000   6.824  -8.772
  216   1HB   ALA  32          1HB       ALA  32  10.089   8.795  -9.501
  217   2HB   ALA  32          2HB       ALA  32   9.468   7.246 -10.069
  218   3HB   ALA  32          3HB       ALA  32  11.063   7.798 -10.580
  219    H    CYS  33           H        CYS  33   8.941   8.105  -7.444
  220    HA   CYS  33           HA       CYS  33   8.571   9.619  -5.665
  221   1HB   CYS  33          2HB       CYS  33  10.515   7.539  -4.885
  222   2HB   CYS  33          1HB       CYS  33  10.504   8.960  -3.835
  223    HA   PRO  34           HA       PRO  34  11.747  12.591  -6.950
  224   1HB   PRO  34          2HB       PRO  34  10.055  14.739  -6.932
  225   2HB   PRO  34          1HB       PRO  34  10.174  13.618  -8.303
  226   1HG   PRO  34          2HG       PRO  34   8.120  13.778  -6.162
  227   2HG   PRO  34          1HG       PRO  34   7.936  13.388  -7.878
  228   1HD   PRO  34          2HD       PRO  34   7.951  11.524  -5.865
  229   2HD   PRO  34          1HD       PRO  34   8.392  11.178  -7.554
  230    H    GLN  35           H        GLN  35   9.988  12.048  -4.135
  231    HA   GLN  35           HA       GLN  35  11.579  14.116  -2.662
  232   1HB   GLN  35          2HB       GLN  35   9.481  14.285  -1.202
  233   2HB   GLN  35          1HB       GLN  35   9.332  14.948  -2.831
  234   1HG   GLN  35          2HG       GLN  35   8.164  13.012  -3.614
  235   2HG   GLN  35          1HG       GLN  35   8.547  12.108  -2.148
  236   1HE2  GLN  35          1HE2      GLN  35   6.999  12.183  -0.501
  237   2HE2  GLN  35          2HE2      GLN  35   5.728  13.305  -0.421