*HEADER    HYDROLASE                               04-DEC-01   1KJ0              
*TITLE     SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR             
*TITLE    2 SGTI                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SERINE PROTEASE INHIBITOR I;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 20-54;                                            
*COMPND   5 SYNONYM: SCHISTOCERCA GREGARIA TRYPSIN INHIBITOR (SGTI);             
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS, FMOC                   
*SOURCE   4 STRATEGY, SEQUENCE NATURALLY FOUND IN SCHISTOCERCA                   
*SOURCE   5 GREGARIA (DESERT LOCUST)                                             
*KEYWDS    SERINE PROTEASE INHIBITION, INHIBITOR SPECIFICITY                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Z.GASPARI, A.PATTHY, L.GRAF, A.PERCZEL                                
*REVDAT   1   12-DEC-01 1KJ0    0                                                


assign (resid    2 and (name HG1#  or name HG2# ))(resid    3 and name HN    ) 1.8 0.0 4.2
assign (resid    2 and name HA    )(resid    3 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HA    )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG#   )(resid    2 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HG#   )(resid    3 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HG#   )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    2 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    2 and name HB1   ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    2 and name HB2   ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    2 and name HG#   ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    3 and name HA    ) 1.8 0.0 3.2
assign (resid    2 and name HN    )(resid    3 and name HG#   ) 1.8 0.0 3.2
assign (resid    3 and (name HB2 or name HB1))(resid   25 and name HD1   ) 1.8 0.0 4.2  
assign (resid    3 and name HA    )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    3 and name HB1   )(resid    3 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HB1   )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    3 and name HB1   )(resid   25 and name HE1   ) 1.8 0.0 3.2
assign (resid    3 and name HB2   )(resid    3 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HB2   )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    3 and name HB2   )(resid   25 and name HE1   ) 1.8 0.0 3.2
assign (resid    3 and name HG#   )(resid    3 and name HA    ) 1.8 0.0 3.2
assign (resid    3 and name HG#   )(resid    4 and name HN    ) 1.8 0.0 3.2
assign (resid    3 and name HG#   )(resid   23 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 HB1   ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid    3 and name HB2   ) 1.8 0.0 3.2
assign (resid    3 and name HN    )(resid    3 and name HG#   ) 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   23 and name HA1   ) 1.8 0.0 3.2    
assign (resid    3 and name HN    )(resid   23 and name HA2   ) 1.8 0.0 3.2    
assign (resid    4 and (name HB2 or name HB1))(resid   19 and (name HB1 or name HB2)) 1.8 0.0 3.2
assign (resid    4 and name HA    )(resid    5 and name HB    ) 1.8 0.0 3.2
assign (resid    4 and name HA    )(resid    5 and name HN    ) 1.8 0.0 3.2
assign (resid   20 and name HA    )(resid   22 and name HN    ) 1.8 0.0 3.2 
assign (resid    4 and name HA    )(resid   23 and name HA1   ) 1.8 0.0 3.2 
assign (resid    4 and name HA    )(resid   23 and name HN    ) 1.8 0.0 3.2 
assign (resid    4 and name HB1   )(resid    4 and name HB2   ) 1.8 0.0 1.7
assign (resid    4 and name HB1   )(resid   25 and name HD1   ) 1.8 0.0 3.2 
assign (resid    4 and name HB1   )(resid   25 and name HE1   ) 1.8 0.0 3.2 
assign (resid    4 and name HB1   )(resid   25 and name HZ2   ) 1.8 0.0 3.2
assign (resid    4 and name HB2   )(resid   25 and name HE1   ) 1.8 0.0 3.2 
assign (resid    4 and name HB2   )(resid   25 and name HZ2   ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid    4 and name HA    ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid    4 and name HB1   ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid    4 and name HB2   ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid   23 and name HA1   ) 1.8 0.0 3.2
assign (resid    4 and name HN    )(resid   23 and name HA2   ) 1.8 0.0 3.2
assign (resid    5 and name HB    )(resid   22 and name HN    ) 1.8 0.0 3.2
assign (resid    5 and name HB    )(resid   23 and name HN    ) 1.8 0.0 3.2
assign (resid    5 and name HG2#  )(resid    5 and name HB    ) 1.8 0.0 3.2
assign (resid    5 and name HG2#  )(resid   22 and name HA    ) 1.8 0.0 3.2
assign (resid    5 and name HG2#  )(resid   22 and name HN    ) 1.8 0.0 3.2     
assign (resid    5 and name HN    )(resid    5 and name HA    ) 1.8 0.0 3.2
assign (resid    5 and name HN    )(resid    5 and name HB    ) 1.8 0.0 3.2
assign (resid    5 and name HN    )(resid    5 and name HG2#  ) 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    5 and name HN    )(resid   23 and name HA2   ) 1.8 0.0 3.2
assign (resid    7 and (name HA1 or name HA2))(resid    8 and name HN    ) 1.8 0.0 4.2 
assign (resid    7 and name HA1   )(resid    7 and name HA2   ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid    7 and name HA1   ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid    7 and name HA2   ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid    8 and name HG#   ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid    8 and name HN    ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid   19 and name HB1   ) 1.8 0.0 3.2
assign (resid    7 and name HN    )(resid   19 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and (name HE22 or name HE21))(resid    8 and name HA    ) 1.8 0.0 4.2
assign (resid    8 and (name HE22 or name HE21))(resid    8 and name HB1   ) 1.8 0.0 4.2
assign (resid    8 and (name HE22 or name HE21))(resid    8 and name HB2   ) 1.8 0.0 4.2
assign (resid    8 and (name HE22 or name HE21))(resid    8 and name HG#   ) 1.8 0.0 4.2
assign (resid    8 and name HA    )(resid    9 and name HA    ) 1.8 0.0 3.2
assign (resid    8 and name HA    )(resid    9 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HB1   )(resid    8 and name HB2   ) 1.8 0.0 3.2
assign (resid    8 and name HB1   )(resid    9 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HB1   )(resid   25 and name HH2   ) 1.8 0.0 3.2
assign (resid    8 and name HB2   )(resid    9 and name HN    ) 1.8 0.0 3.2
assign (resid    8 and name HB2   )(resid   25 and name HH2   ) 1.8 0.0 3.2
assign (resid    8 and name HG#   )(resid   25 and name HH2   ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid    8 and name HA    ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid    8 and name HB1   ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid    8 and name HB2   ) 1.8 0.0 3.2
assign (resid    8 and name HN    )(resid    8 and name HG#   ) 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    8 and name HN    )(resid   25 and name HH2   ) 1.8 0.0 3.2 
assign (resid    9 and name HA    )(resid    9 and name HB    ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid    9 and name HG2#  ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   10 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   25 and name HH2   ) 1.8 0.0 3.2
assign (resid    9 and name HA    )(resid   25 and name HZ3   ) 1.8 0.0 3.2
assign (resid    9 and name HB    )(resid   10 and name HN    ) 1.8 0.0 3.2
assign (resid    9 and name HB    )(resid   25 and name HZ3   ) 1.8 0.0 3.2
assign (resid    9 and name HG2#  )(resid    9 and name HB    ) 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   18 and name HA    ) 1.8 0.0 3.2 
assign (resid    9 and name HN    )(resid   25 and name HH2   ) 1.8 0.0 3.2 
assign (resid    9 and name HN    )(resid   25 and name HZ3   ) 1.8 0.0 3.2
assign (resid   10 and (name HD1 or name HD2))(resid   25 and name HZ3   ) 1.8 0.0 4.7 
assign (resid   10 and (name HE1 or name HE2))(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   10 and (name HE1 or name HE2))(resid   25 and name HD1   ) 1.8 0.0 4.7 
assign (resid   10 and (name HE1 or name HE2))(resid   25 and name HE1   ) 1.8 0.0 4.7 
assign (resid   10 and (name HE1 or name HE2))(resid   25 and name HE3   ) 1.8 0.0 4.7  
assign (resid   10 and (name HE1 or name HE2))(resid   25 and name HZ2   ) 1.8 0.0 4.7 
assign (resid   10 and (name HG1 or name HG2))(resid   10 and name HA    ) 1.8 0.0 4.7 
assign (resid   10 and (name HG1 or name HG2))(resid   12 and name HN    ) 1.8 0.0 4.7 
assign (resid   10 and (name HG1 or name HG2))(resid   25 and name HZ3   ) 1.8 0.0 4.7 
assign (resid   10 and name HB#   )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   10 and name HB#   )(resid   25 and name HZ2   ) 1.8 0.0 4.7 
assign (resid   10 and name HD1   )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   10 and name HD1   )(resid   25 and name HE1   ) 1.8 0.0 4.7 
assign (resid   10 and name HD1   )(resid   25 and name HZ2   ) 1.8 0.0 4.7 
assign (resid   10 and name HD2   )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   10 and name HD2   )(resid   25 and name HE1   ) 1.8 0.0 4.7 
assign (resid   10 and name HD2   )(resid   25 and name HZ2   ) 1.8 0.0 4.7 
assign (resid   10 and name HG1   )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   10 and name HG1   )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HG1   )(resid   25 and name HE3   ) 1.8 0.0 4.7 
assign (resid   10 and name HG1   )(resid   25 and name HH2   ) 1.8 0.0 4.7 
assign (resid   10 and name HG1   )(resid   25 and name HZ2   ) 1.8 0.0 4.7 
assign (resid   10 and name HG2   )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   10 and name HG2   )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   10 and name HG2   )(resid   25 and name HE3   ) 1.8 0.0 4.7 
assign (resid   10 and name HG2   )(resid   25 and name HH2   ) 1.8 0.0 4.7 
assign (resid   10 and name HG2   )(resid   25 and name HZ2   ) 1.8 0.0 4.7 
assign (resid   10 and name HN    )(resid   10 and name HG1   ) 1.8 0.0 3.2 
assign (resid   10 and name HN    )(resid   10 and name HG2   ) 1.8 0.0 3.2 
assign (resid   10 and name HN    )(resid   16 and name HG2#   ) 1.8 0.0 3.2  
assign (resid   10 and name HN    )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   10 and name HN    )(resid   17 and name HN    ) 1.8 0.0 3.2 
assign (resid   10 and name HN    )(resid   25 and name HE3   ) 1.8 0.0 4.7 
assign (resid   10 and name HZ#   )(resid   10 and name HE1   ) 1.8 0.0 3.2
assign (resid   10 and name HZ#   )(resid   10 and name HE2   ) 1.8 0.0 3.2
assign (resid   10 and name HZ#   )(resid   25 and name HE1   ) 1.8 0.0 4.7
assign (resid   11 and name HA    )(resid   16 and name HG2#   ) 1.8 0.0 3.2 
assign (resid   12 and name HA    )(resid   13 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 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   15 and name HN    ) 1.8 0.0 3.2  
assign (resid   12 and name HB2   )(resid   13 and name HN    ) 1.8 0.0 3.2
assign (resid   12 and name HG#   )(resid   13 and name HN    ) 1.8 0.0 4.2 
assign (resid   12 and name HN    )(resid   12 and name HA    ) 1.8 0.0 3.2
assign (resid   12 and name HN    )(resid   12 and name HB1   ) 1.8 0.0 3.2
assign (resid   12 and name HN    )(resid   12 and name HB2   ) 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   12 and name HN    )(resid   11 and name HA    ) 1.8 0.0 3.2 
assign (resid   13 and name HB1   )(resid   14 and name HN    ) 1.8 0.0 3.2 
assign (resid   13 and name HB2   )(resid   14 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   15 and name HN    ) 1.8 0.0 3.2  
assign (resid   13 and name HB2   )(resid   15 and name HN    ) 1.8 0.0 3.2  
assign (resid   13 and name HB1   )(resid   13 and name HB2   ) 1.8 0.0 3.2
assign (resid   13 and name HB2   )(resid   13 and name HA    ) 1.8 0.0 3.2
assign (resid   13 and name HN    )(resid   13 and name HA    ) 1.8 0.0 3.2
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   14 and name HN    ) 1.8 0.0 3.2 
assign (resid   14 and (name HB1 or name HB2))(resid   33 and name HD1   ) 1.8 0.0 3.2
assign (resid   14 and (name HB1 or name HB2))(resid   33 and name HD2   ) 1.8 0.0 3.2
assign (resid   14 and name HB1   )(resid   15 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HB1   )(resid   15 and name HN    ) 1.8 0.0 3.2
assign (resid   14 and name HB1   )(resid   32 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HB2   )(resid   15 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HB2   )(resid   15 and name HN    ) 1.8 0.0 3.2
assign (resid   14 and name HB2   )(resid   32 and name HA    ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   14 and name HB1   ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   14 and name HB2   ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   15 and (name HB1 or name HB2)) 1.8 0.0 4.2 
assign (resid   14 and name HN    )(resid   32 and name HB1   ) 1.8 0.0 3.2
assign (resid   14 and name HN    )(resid   32 and name HB2   ) 1.8 0.0 3.2
assign (resid   15 and (name HD21 or name HD22))(resid   29 and (name HB1 or name HB2)) 1.8 0.0 3.2
assign (resid   15 and (name HD22 or name HD21))(resid   29 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and (name HD22 or name HD21))(resid   30 and name HN    ) 1.8 0.0 4.2
assign (resid   15 and name HA    )(resid   16 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HA    )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HB1   )(resid   15 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and name HB1   )(resid   15 and name HB2   ) 1.8 0.0 3.2
assign (resid   15 and name HB1   )(resid   16 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HB1   )(resid   28 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HB1   )(resid   29 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and name HB2   )(resid   15 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and name HB2   )(resid   16 and name HN    ) 1.8 0.0 3.2
assign (resid   15 and name HB2   )(resid   28 and name HN    ) 1.8 0.0 3.2 
assign (resid   15 and name HB2   )(resid   29 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 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   15 and name HD21  ) 1.8 0.0 3.2
assign (resid   15 and name HN    )(resid   15 and name HA    ) 1.8 0.0 3.2
assign (resid   15 and name HN    )(resid   15 and name HB1   ) 1.8 0.0 3.2
assign (resid   15 and name HN    )(resid   15 and name HB2   ) 1.8 0.0 3.2
assign (resid   16 and name HA    )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HA    )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   16 and name HB    )(resid   16 and name HA    ) 1.8 0.0 3.2
assign (resid   16 and name HB    )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HB    )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HG2#  )(resid   16 and name HB    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   16 and name HA    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   16 and name HB    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   16 and name HG2#  ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   17 and name HN    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   27 and name HA    ) 1.8 0.0 3.2
assign (resid   16 and name HN    )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   17 and name HB#   ) 1.8 0.0 4.2 
assign (resid   17 and name HA    )(resid   18 and name HN    ) 1.8 0.0 3.2
assign (resid   17 and name HA    )(resid   26 and name HN    ) 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 HB#   )(resid   18 and name HA    ) 1.8 0.0 4.2 
assign (resid   17 and name HB#   )(resid   18 and name HN    ) 1.8 0.0 4.2 
assign (resid   17 and name HB#   )(resid   25 and name HE3   ) 1.8 0.0 4.2 
assign (resid   17 and name HB#   )(resid   27 and name HN    ) 1.8 0.0 4.2 
assign (resid   17 and name HN    )(resid   17 and name HA    ) 1.8 0.0 3.2
assign (resid   17 and name HN    )(resid   25 and name HE3   ) 1.8 0.0 3.2
assign (resid   18 and name HA    )(resid   18 and name HB#   ) 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 3.2
assign (resid   18 and name HA    )(resid   25 and name HE3   ) 1.8 0.0 3.2
assign (resid   18 and name HB#   )(resid   26 and name HN    ) 1.8 0.0 4.2 
assign (resid   18 and name HN    )(resid   18 and name HA    ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   18 and name HB#   ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   25 and name HE3   ) 1.8 0.0 3.2
assign (resid   18 and name HN    )(resid   26 and name HN    ) 1.8 0.0 3.2
assign (resid   19 and (name HB1 or name HB2))(resid    8 and name HN    ) 1.8 0.0 3.2 
assign (resid   19 and (name HB2 or name HB1))(resid   20 and name HA    ) 1.8 0.0 4.2 
assign (resid   19 and (name HB2 or name HB1))(resid   25 and name HE1   ) 1.8 0.0 4.2  
assign (resid   19 and name HA    )(resid   20 and name HN    ) 1.8 0.0 3.2
assign (resid   19 and name HA    )(resid   23 and name HA2   ) 1.8 0.0 3.2 
assign (resid   19 and name HA    )(resid   25 and name HE3   ) 1.8 0.0 3.2
assign (resid   19 and name HA    )(resid   25 and name HN    ) 1.8 0.0 3.2           
assign (resid   19 and name HB2   )(resid   25 and name HZ3   ) 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 3.2
assign (resid   19 and name HN    )(resid   19 and name HB2   ) 1.8 0.0 3.2
assign (resid   19 and name HN    )(resid   25 and name HE3   ) 1.8 0.0 3.2
assign (resid   19 and name HN    )(resid   25 and name HH2   ) 1.8 0.0 3.2
assign (resid   19 and name HN    )(resid   25 and name HZ3   ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   20 and name HA    ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   20 and name HG2#  ) 1.8 0.0 3.2
assign (resid   20 and name HN    )(resid   23 and name HA1   ) 1.8 0.0 3.2        
assign (resid   20 and name HN    )(resid   23 and name HA2   ) 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   21 and name HB1   )(resid   21 and name HD1   ) 1.8 0.0 3.2
assign (resid   21 and name HB1   )(resid   21 and name HD2   ) 1.8 0.0 3.2
assign (resid   21 and name HB1   )(resid   22 and name HN    ) 1.8 0.0 3.2
assign (resid   21 and name HB2   )(resid   21 and name HD1   ) 1.8 0.0 3.2
assign (resid   21 and name HB2   )(resid   21 and name HD2   ) 1.8 0.0 3.2
assign (resid   21 and name HB2   )(resid   22 and name HN    ) 1.8 0.0 3.2
assign (resid   21 and name HD2   )(resid   22 and name HG2#  ) 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 HG2#  )(resid   22 and name HA    ) 1.8 0.0 3.2
assign (resid   22 and name HN    )(resid   22 and name HA    ) 1.8 0.0 3.2
assign (resid   22 and name HN    )(resid   22 and name HG2#  ) 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 3.2
assign (resid   23 and name HA1   )(resid   24 and name HN    ) 1.8 0.0 3.2
assign (resid   23 and name HA2   )(resid   24 and name HN    ) 1.8 0.0 3.2
assign (resid   23 and name HN    )(resid   23 and name HA1   ) 1.8 0.0 3.2
assign (resid   23 and name HN    )(resid   23 and name HA2   ) 1.8 0.0 3.2
assign (resid   24 and name HA    )(resid   25 and name HD1   ) 1.8 0.0 3.2
assign (resid   24 and name HB    )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HB    )(resid   25 and name HD1   ) 1.8 0.0 3.2         
assign (resid   24 and name HB    )(resid   25 and name HN    ) 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 HG1#  )(resid   25 and name HN    ) 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 HG2#  )(resid   25 and name HN    ) 1.8 0.0 3.2
assign (resid   24 and name HN    )(resid   24 and name HA    ) 1.8 0.0 3.2
assign (resid   24 and name HN    )(resid   24 and name HB    ) 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   25 and name HB1   )(resid   25 and name HA    ) 1.8 0.0 3.2
assign (resid   25 and name HB2   )(resid   25 and name HA    ) 1.8 0.0 3.2
assign (resid   25 and name HD1   )(resid   25 and name HB1   ) 1.8 0.0 3.2
assign (resid   25 and name HD1   )(resid   25 and name HB2   ) 1.8 0.0 3.2
assign (resid   25 and name HE1   )(resid   25 and name HD1   ) 1.8 0.0 3.2
assign (resid   25 and name HN    )(resid   25 and name HA    ) 1.8 0.0 3.2
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   25 and name HD1   ) 1.8 0.0 3.2
assign (resid   25 and name HZ2   )(resid   25 and name HE1   ) 1.8 0.0 3.2
assign (resid   26 and name HB#   )(resid   26 and name HA    ) 1.8 0.0 3.2
assign (resid   26 and name HB#   )(resid   27 and name HA    ) 1.8 0.0 3.2      
assign (resid   26 and name HB#   )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   26 and name HN    )(resid   26 and name HA    ) 1.8 0.0 3.2
assign (resid   26 and name HN    )(resid   26 and name HB#   ) 1.8 0.0 3.2
assign (resid   26 and name HN    )(resid   27 and name HN    ) 1.8 0.0 3.2
assign (resid   27 and name HA    )(resid   27 and name HB1   ) 1.8 0.0 3.2
assign (resid   27 and name HA    )(resid   27 and name HB2   ) 1.8 0.0 3.2
assign (resid   27 and name HA    )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   27 and name HB1   )(resid   28 and name HN    ) 1.8 0.0 3.2 
assign (resid   27 and name HB2   )(resid   28 and name HN    ) 1.8 0.0 3.2
assign (resid   27 and name HN    )(resid   27 and name HB1   ) 1.8 0.0 3.2
assign (resid   27 and name HN    )(resid   27 and name HB2   ) 1.8 0.0 3.2
assign (resid   28 and name HA    )(resid   29 and name HN    ) 1.8 0.0 3.2
assign (resid   28 and name HN    )(resid   28 and name HA    ) 1.8 0.0 3.2
assign (resid   28 and name HN    )(resid   28 and name HG2#  ) 1.8 0.0 3.2
assign (resid   29 and (name HB1 or name HB2))(resid   29 and name HD#   ) 1.8 0.0 4.2
assign (resid   29 and name HB1   )(resid   29 and name HA    ) 1.8 0.0 3.2
assign (resid   29 and name HB2   )(resid   29 and name HA    ) 1.8 0.0 3.2
assign (resid   29 and name HG1   )(resid   29 and name HD#   ) 1.8 0.0 3.2
assign (resid   29 and name HG2   )(resid   29 and name HD#   ) 1.8 0.0 3.2
assign (resid   29 and name HN    )(resid   29 and name HA    ) 1.8 0.0 3.2
assign (resid   30 and name HA    )(resid   31 and name HN    ) 1.8 0.0 3.2
assign (resid   30 and name HN    )(resid   30 and (name HB1 or name HB2)) 1.8 0.0 4.2
assign (resid   30 and name HZ#   )(resid   30 and name HE#   ) 1.8 0.0 3.2
assign (resid   31 and name HA1   )(resid   31 and name HA2   ) 1.8 0.0 3.2
assign (resid   31 and name HA1   )(resid   32 and name HN    ) 1.8 0.0 3.2
assign (resid   31 and name HA2   )(resid   32 and name HN    ) 1.8 0.0 3.2
assign (resid   31 and name HN    )(resid   31 and name HA1   ) 1.8 0.0 3.2
assign (resid   31 and name HN    )(resid   31 and name HA2   ) 1.8 0.0 3.2
assign (resid   32 and name HA    )(resid   32 and name HB1   ) 1.8 0.0 3.2
assign (resid   32 and name HA    )(resid   32 and name HB2   ) 1.8 0.0 3.2
assign (resid   32 and name HA    )(resid   33 and (name HD1 or name HD2)) 1.8 0.0 3.2
assign (resid   32 and name HA    )(resid   33 and name HG#   ) 1.8 0.0 3.2
assign (resid   32 and name HB1   )(resid   32 and name HB2   ) 1.8 0.0 3.2
assign (resid   32 and name HB1   )(resid   33 and name HD1   ) 1.8 0.0 3.2
assign (resid   32 and name HB1   )(resid   33 and name HD2   ) 1.8 0.0 3.2
assign (resid   32 and name HB2   )(resid   33 and name HD1   ) 1.8 0.0 3.2
assign (resid   32 and name HB2   )(resid   33 and name HD2   ) 1.8 0.0 3.2
assign (resid   32 and name HN    )(resid   32 and name HA    ) 1.8 0.0 3.2
assign (resid   32 and name HN    )(resid   32 and name HB1   ) 1.8 0.0 3.2
assign (resid   32 and name HN    )(resid   32 and name HB2   ) 1.8 0.0 3.2
assign (resid   33 and name HA    )(resid   34 and name HD1   ) 1.8 0.0 3.2
assign (resid   33 and name HA    )(resid   34 and name HD2   ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   33 and name HD1   ) 1.8 0.0 3.2
assign (resid   33 and name HB1   )(resid   33 and name HD2   ) 1.8 0.0 3.2
assign (resid   33 and name HB2   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   33 and name HB2   )(resid   33 and name HD1   ) 1.8 0.0 3.2
assign (resid   33 and name HB2   )(resid   33 and name HD2   ) 1.8 0.0 3.2
assign (resid   33 and name HG#   )(resid   33 and name HA    ) 1.8 0.0 3.2
assign (resid   33 and name HG#   )(resid   33 and name HD1   ) 1.8 0.0 3.2
assign (resid   33 and name HG#   )(resid   33 and name HD2   ) 1.8 0.0 3.2
assign (resid   35 and name HB1   )(resid   35 and name HA    ) 1.8 0.0 3.2
assign (resid   35 and name HB2   )(resid   35 and name HA    ) 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



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1   2.878 -11.938   7.307
    2   2H    GLU   1          2HT       GLU   1   2.807 -13.577   7.747
    3   3H    GLU   1          3HT       GLU   1   3.674 -12.473   8.705
    4    HA   GLU   1           HA       GLU   1   0.726 -12.421   8.290
    5   1HB   GLU   1          2HB       GLU   1   2.296 -14.189   9.731
    6   2HB   GLU   1          1HB       GLU   1   1.873 -12.974  10.937
    7   1HG   GLU   1          2HG       GLU   1  -0.538 -13.269   9.789
    8   2HG   GLU   1          1HG       GLU   1   0.115 -14.875   9.465
    9    H    GLN   2           H        GLN   2   1.769 -10.057   7.763
   10    HA   GLN   2           HA       GLN   2   2.338  -8.539  10.231
   11   1HB   GLN   2          2HB       GLN   2   3.619  -8.153   8.174
   12   2HB   GLN   2          1HB       GLN   2   2.130  -7.783   7.304
   13   1HG   GLN   2          2HG       GLN   2   3.388  -5.740   8.050
   14   2HG   GLN   2          1HG       GLN   2   1.741  -5.824   8.680
   15   1HE2  GLN   2          1HE2      GLN   2   1.656  -5.298  10.859
   16   2HE2  GLN   2          2HE2      GLN   2   2.874  -5.624  11.995
   17    H    GLU   3           H        GLU   3  -0.170  -8.849   7.785
   18    HA   GLU   3           HA       GLU   3  -2.321  -8.084   9.502
   19   1HB   GLU   3          2HB       GLU   3  -2.683  -5.793   8.785
   20   2HB   GLU   3          1HB       GLU   3  -1.015  -5.914   9.336
   21   1HG   GLU   3          2HG       GLU   3  -0.200  -6.071   7.067
   22   2HG   GLU   3          1HG       GLU   3  -1.843  -6.199   6.437
   23    H    CYS   4           H        CYS   4  -0.967  -8.332   6.271
   24    HA   CYS   4           HA       CYS   4  -3.423  -9.624   5.302
   25   1HB   CYS   4          2HB       CYS   4  -3.705  -7.064   5.286
   26   2HB   CYS   4          1HB       CYS   4  -2.521  -7.058   3.980
   27    H    THR   5           H        THR   5  -3.080  -9.942   2.733
   28    HA   THR   5           HA       THR   5  -0.310 -10.072   1.834
   29    HB   THR   5           HB       THR   5  -1.414 -12.790   2.009
   30    HG1  THR   5           1HG      THR   5  -1.262 -12.969   4.182
   31   1HG2  THR   5          1HG2      THR   5   1.115 -11.401   1.976
   32   2HG2  THR   5          2HG2      THR   5   0.783 -13.107   1.679
   33   3HG2  THR   5          3HG2      THR   5   1.064 -12.536   3.323
   34    HA   PRO   6           HA       PRO   6  -3.102 -12.346  -1.404
   35   1HB   PRO   6          2HB       PRO   6  -5.817 -12.225  -0.933
   36   2HB   PRO   6          1HB       PRO   6  -4.784 -13.593  -0.463
   37   1HG   PRO   6          2HG       PRO   6  -5.679 -11.259   1.186
   38   2HG   PRO   6          1HG       PRO   6  -5.687 -12.986   1.592
   39   1HD   PRO   6          2HD       PRO   6  -3.760 -11.436   2.517
   40   2HD   PRO   6          1HD       PRO   6  -3.367 -13.054   1.904
   41    H    GLY   7           H        GLY   7  -5.935 -10.384  -0.760
   42   1HA   GLY   7          2HA       GLY   7  -4.878  -7.922  -1.850
   43   2HA   GLY   7          1HA       GLY   7  -5.714  -8.861  -3.088
   44    H    GLN   8           H        GLN   8  -6.606  -8.705   0.348
   45    HA   GLN   8           HA       GLN   8  -9.376  -8.340  -0.104
   46   1HB   GLN   8          2HB       GLN   8  -7.485  -7.623   2.151
   47   2HB   GLN   8          1HB       GLN   8  -9.231  -7.388   2.291
   48   1HG   GLN   8          2HG       GLN   8  -8.861  -9.994   1.251
   49   2HG   GLN   8          1HG       GLN   8  -7.712  -9.823   2.579
   50   1HE2  GLN   8          1HE2      GLN   8 -10.924 -10.616   1.905
   51   2HE2  GLN   8          2HE2      GLN   8 -11.582 -10.351   3.449
   52    H    THR   9           H        THR   9 -10.671  -6.348   0.151
   53    HA   THR   9           HA       THR   9  -9.237  -3.951  -0.903
   54    HB   THR   9           HB       THR   9 -11.682  -3.300  -1.402
   55    HG1  THR   9           1HG      THR   9 -12.533  -4.848   0.099
   56   1HG2  THR   9          1HG2      THR   9 -11.349  -5.782  -2.885
   57   2HG2  THR   9          2HG2      THR   9  -9.830  -4.897  -2.753
   58   3HG2  THR   9          3HG2      THR   9 -11.245  -4.116  -3.456
   59    H    LYS  10           H        LYS  10  -9.124  -2.097   0.331
   60    HA   LYS  10           HA       LYS  10 -10.299  -2.189   3.067
   61   1HB   LYS  10          2HB       LYS  10  -7.842  -1.436   1.922
   62   2HB   LYS  10          1HB       LYS  10  -8.602   0.078   2.417
   63   1HG   LYS  10          2HG       LYS  10  -8.684  -0.543   4.669
   64   2HG   LYS  10          1HG       LYS  10  -8.585  -2.266   4.299
   65   1HD   LYS  10          2HD       LYS  10  -6.234  -1.342   3.233
   66   2HD   LYS  10          1HD       LYS  10  -6.421  -0.292   4.638
   67   1HE   LYS  10          2HE       LYS  10  -6.603  -3.326   4.727
   68   2HE   LYS  10          1HE       LYS  10  -5.181  -2.381   5.211
   69   1HZ   LYS  10          1HZ       LYS  10  -6.892  -1.060   6.592
   70   2HZ   LYS  10          2HZ       LYS  10  -6.348  -2.556   7.183
   71   3HZ   LYS  10          3HZ       LYS  10  -7.865  -2.440   6.430
   72    H    LYS  11           H        LYS  11 -12.376  -1.332   3.041
   73    HA   LYS  11           HA       LYS  11 -13.265   0.701   1.188
   74   1HB   LYS  11          2HB       LYS  11 -14.322  -0.330   3.841
   75   2HB   LYS  11          1HB       LYS  11 -15.235   0.717   2.755
   76   1HG   LYS  11          2HG       LYS  11 -14.051  -1.891   1.802
   77   2HG   LYS  11          1HG       LYS  11 -15.645  -1.819   2.554
   78   1HD   LYS  11          2HD       LYS  11 -15.743   0.251   0.723
   79   2HD   LYS  11          1HD       LYS  11 -14.813  -0.981  -0.129
   80   1HE   LYS  11          2HE       LYS  11 -16.800  -2.518   0.953
   81   2HE   LYS  11          1HE       LYS  11 -17.666  -0.998   0.652
   82   1HZ   LYS  11          1HZ       LYS  11 -16.346  -2.784  -1.246
   83   2HZ   LYS  11          2HZ       LYS  11 -16.230  -1.117  -1.548
   84   3HZ   LYS  11          3HZ       LYS  11 -17.755  -1.859  -1.435
   85    H    GLN  12           H        GLN  12 -12.435   2.771   1.283
   86    HA   GLN  12           HA       GLN  12 -12.220   4.047   3.984
   87   1HB   GLN  12          2HB       GLN  12 -10.078   3.219   2.650
   88   2HB   GLN  12          1HB       GLN  12 -10.330   4.720   1.759
   89   1HG   GLN  12          2HG       GLN  12  -8.903   5.367   3.518
   90   2HG   GLN  12          1HG       GLN  12 -10.504   5.828   4.100
   91   1HE2  GLN  12          1HE2      GLN  12  -9.555   5.588   6.336
   92   2HE2  GLN  12          2HE2      GLN  12  -9.439   4.038   7.015
   93    H    ASP  13           H        ASP  13 -13.991   4.110   1.325
   94    HA   ASP  13           HA       ASP  13 -15.287   5.767   0.276
   95   1HB   ASP  13          2HB       ASP  13 -14.576   6.662   2.963
   96   2HB   ASP  13          1HB       ASP  13 -14.894   8.016   1.871
   97    H    CYS  14           H        CYS  14 -14.711   6.845  -1.557
   98    HA   CYS  14           HA       CYS  14 -13.639   8.399  -2.960
   99   1HB   CYS  14          2HB       CYS  14 -11.830   8.982  -0.612
  100   2HB   CYS  14          1HB       CYS  14 -12.177  10.013  -1.991
  101    H    ASN  15           H        ASN  15 -11.739   6.141  -1.025
  102    HA   ASN  15           HA       ASN  15 -10.180   5.552  -3.456
  103   1HB   ASN  15          2HB       ASN  15  -8.087   6.081  -2.420
  104   2HB   ASN  15          1HB       ASN  15  -9.154   7.460  -2.142
  105   1HD2  ASN  15          1HD2      ASN  15  -8.727   8.222  -0.073
  106   2HD2  ASN  15          2HD2      ASN  15  -8.569   7.245   1.316
  107    H    THR  16           H        THR  16  -8.410   3.787  -2.667
  108    HA   THR  16           HA       THR  16  -9.594   1.962  -0.637
  109    HB   THR  16           HB       THR  16  -8.994   1.215  -3.516
  110    HG1  THR  16           1HG      THR  16 -11.004   1.648  -3.908
  111   1HG2  THR  16          1HG2      THR  16  -9.008  -0.398  -1.301
  112   2HG2  THR  16          2HG2      THR  16  -9.380  -0.944  -2.937
  113   3HG2  THR  16          3HG2      THR  16 -10.686  -0.509  -1.834
  114    H    CYS  17           H        CYS  17  -7.985   0.809   0.425
  115    HA   CYS  17           HA       CYS  17  -5.195   1.471  -0.186
  116   1HB   CYS  17          2HB       CYS  17  -6.820   0.458   1.996
  117   2HB   CYS  17          1HB       CYS  17  -5.353  -0.502   1.811
  118    H    ASN  18           H        ASN  18  -7.330  -1.341  -0.493
  119    HA   ASN  18           HA       ASN  18  -7.005  -3.400  -1.602
  120   1HB   ASN  18          2HB       ASN  18  -4.861  -1.661  -2.867
  121   2HB   ASN  18          1HB       ASN  18  -5.325  -3.248  -3.479
  122   1HD2  ASN  18          1HD2      ASN  18  -6.397   0.103  -3.124
  123   2HD2  ASN  18          2HD2      ASN  18  -7.764  -0.043  -4.120
  124    H    CYS  19           H        CYS  19  -5.834  -5.307  -1.174
  125    HA   CYS  19           HA       CYS  19  -3.550  -5.015   0.715
  126   1HB   CYS  19          2HB       CYS  19  -5.531  -6.353   1.304
  127   2HB   CYS  19          1HB       CYS  19  -5.309  -7.328  -0.144
  128    H    THR  20           H        THR  20  -1.669  -6.557   0.393
  129    HA   THR  20           HA       THR  20  -1.318  -7.460  -2.435
  130    HB   THR  20           HB       THR  20   1.098  -6.272  -1.859
  131    HG1  THR  20           1HG      THR  20   0.799  -4.645  -0.572
  132   1HG2  THR  20          1HG2      THR  20  -1.342  -5.502  -3.387
  133   2HG2  THR  20          2HG2      THR  20   0.297  -5.805  -3.964
  134   3HG2  THR  20          3HG2      THR  20  -0.092  -4.273  -3.182
  135    HA   PRO  21           HA       PRO  21   1.019 -10.749  -0.704
  136   1HB   PRO  21          2HB       PRO  21   3.321 -10.821  -2.198
  137   2HB   PRO  21          1HB       PRO  21   1.744 -11.349  -2.823
  138   1HG   PRO  21          2HG       PRO  21   3.157  -8.748  -3.213
  139   2HG   PRO  21          1HG       PRO  21   2.273  -9.734  -4.390
  140   1HD   PRO  21          2HD       PRO  21   1.183  -7.545  -3.258
  141   2HD   PRO  21          1HD       PRO  21   0.211  -8.972  -3.684
  142    H    THR  22           H        THR  22   1.227  -8.644   0.947
  143    HA   THR  22           HA       THR  22   3.644  -8.972   2.390
  144    HB   THR  22           HB       THR  22   4.742  -7.936   0.502
  145    HG1  THR  22           1HG      THR  22   5.701  -6.966   2.109
  146   1HG2  THR  22          1HG2      THR  22   2.925  -5.544   0.705
  147   2HG2  THR  22          2HG2      THR  22   2.474  -6.930  -0.288
  148   3HG2  THR  22          3HG2      THR  22   3.954  -6.039  -0.639
  149    H    GLY  23           H        GLY  23   0.667  -8.435   2.623
  150   1HA   GLY  23          2HA       GLY  23  -0.751  -7.329   4.101
  151   2HA   GLY  23          1HA       GLY  23   0.692  -6.899   5.003
  152    H    VAL  24           H        VAL  24   1.949  -5.010   4.153
  153    HA   VAL  24           HA       VAL  24   0.797  -2.594   4.174
  154    HB   VAL  24           HB       VAL  24   2.932  -3.651   2.321
  155   1HG1  VAL  24          1HG1      VAL  24   1.989  -1.648   1.258
  156   2HG1  VAL  24          2HG1      VAL  24   3.577  -1.281   1.932
  157   3HG1  VAL  24          3HG1      VAL  24   2.119  -0.763   2.778
  158   1HG2  VAL  24          1HG2      VAL  24   3.161  -3.536   4.882
  159   2HG2  VAL  24          2HG2      VAL  24   3.166  -1.783   4.687
  160   3HG2  VAL  24          3HG2      VAL  24   4.432  -2.759   3.940
  161    H    TRP  25           H        TRP  25  -0.833  -1.556   3.138
  162    HA   TRP  25           HA       TRP  25  -1.808  -2.625   0.530
  163   1HB   TRP  25          2HB       TRP  25  -2.995  -0.676   2.536
  164   2HB   TRP  25          1HB       TRP  25  -3.832  -1.338   1.136
  165    HD1  TRP  25           HD       TRP  25  -1.757  -3.013   3.969
  166    HE1  TRP  25           1HE      TRP  25  -3.145  -4.971   4.906
  167    HE3  TRP  25           3HE      TRP  25  -5.969  -2.555   1.118
  168    HZ2  TRP  25           2HZ      TRP  25  -5.706  -6.182   4.504
  169    HZ3  TRP  25           3HZ      TRP  25  -7.867  -4.119   1.419
  170    HH2  TRP  25           HH       TRP  25  -7.741  -5.931   3.106
  171    H    ALA  26           H        ALA  26  -2.974  -0.565  -0.649
  172    HA   ALA  26           HA       ALA  26  -0.975   1.664  -0.846
  173   1HB   ALA  26          1HB       ALA  26  -0.500   0.886  -2.917
  174   2HB   ALA  26          2HB       ALA  26  -2.175   1.200  -3.371
  175   3HB   ALA  26          3HB       ALA  26  -1.713  -0.384  -2.748
  176    H    CYS  27           H        CYS  27  -2.246   3.336   0.014
  177    HA   CYS  27           HA       CYS  27  -5.099   3.436  -0.809
  178   1HB   CYS  27          2HB       CYS  27  -3.464   4.217   1.493
  179   2HB   CYS  27          1HB       CYS  27  -4.611   5.469   1.015
  180    H    THR  28           H        THR  28  -5.743   4.850  -2.350
  181    HA   THR  28           HA       THR  28  -3.846   6.951  -3.283
  182    HB   THR  28           HB       THR  28  -4.963   5.173  -4.758
  183    HG1  THR  28           1HG      THR  28  -4.919   7.919  -5.142
  184   1HG2  THR  28          1HG2      THR  28  -7.356   6.917  -4.118
  185   2HG2  THR  28          2HG2      THR  28  -7.179   5.194  -3.785
  186   3HG2  THR  28          3HG2      THR  28  -7.306   5.763  -5.451
  187    H    ARG  29           H        ARG  29  -4.721   9.155  -3.642
  188    HA   ARG  29           HA       ARG  29  -7.249   9.767  -2.178
  189   1HB   ARG  29          2HB       ARG  29  -5.264   9.915  -0.654
  190   2HB   ARG  29          1HB       ARG  29  -4.585  11.146  -1.720
  191   1HG   ARG  29          2HG       ARG  29  -7.315  11.822  -1.110
  192   2HG   ARG  29          1HG       ARG  29  -6.438  11.526   0.392
  193   1HD   ARG  29          2HD       ARG  29  -4.839  13.075  -1.505
  194   2HD   ARG  29          1HD       ARG  29  -6.355  13.892  -1.073
  195    HE   ARG  29           HE       ARG  29  -4.442  12.828   0.975
  196   1HH1  ARG  29          1HH2      ARG  29  -7.455  13.932   1.167
  197   2HH1  ARG  29          2HH2      ARG  29  -7.120  15.423   1.984
  198   1HH2  ARG  29          1HH1      ARG  29  -3.697  15.250   1.456
  199   2HH2  ARG  29          2HH1      ARG  29  -4.992  16.168   2.149
  200    H    LYS  30           H        LYS  30  -8.338  10.558  -3.981
  201    HA   LYS  30           HA       LYS  30  -7.145  12.967  -5.299
  202   1HB   LYS  30          2HB       LYS  30  -7.656  10.355  -6.390
  203   2HB   LYS  30          1HB       LYS  30  -8.737  11.514  -7.165
  204   1HG   LYS  30          2HG       LYS  30  -6.212  12.784  -6.974
  205   2HG   LYS  30          1HG       LYS  30  -5.907  11.150  -7.566
  206   1HD   LYS  30          2HD       LYS  30  -8.071  12.906  -8.738
  207   2HD   LYS  30          1HD       LYS  30  -6.416  12.923  -9.347
  208   1HE   LYS  30          2HE       LYS  30  -6.779  10.274  -9.388
  209   2HE   LYS  30          1HE       LYS  30  -8.478  10.764  -9.545
  210   1HZ   LYS  30          1HZ       LYS  30  -7.835  10.933 -11.714
  211   2HZ   LYS  30          2HZ       LYS  30  -6.219  11.295 -11.334
  212   3HZ   LYS  30          3HZ       LYS  30  -7.417  12.492 -11.194
  213    H    GLY  31           H        GLY  31 -10.177  11.032  -5.329
  214   1HA   GLY  31          2HA       GLY  31 -11.726  13.203  -4.182
  215   2HA   GLY  31          1HA       GLY  31 -11.986  13.059  -5.923
  216    H    CYS  32           H        CYS  32 -14.127  12.615  -4.234
  217    HA   CYS  32           HA       CYS  32 -14.384   9.650  -4.010
  218   1HB   CYS  32          2HB       CYS  32 -15.051  11.821  -2.374
  219   2HB   CYS  32          1HB       CYS  32 -16.597  11.274  -3.029
  220    HA   PRO  33           HA       PRO  33 -16.924   9.689  -7.616
  221   1HB   PRO  33          2HB       PRO  33 -17.994   7.186  -7.332
  222   2HB   PRO  33          1HB       PRO  33 -16.326   7.469  -7.868
  223   1HG   PRO  33          2HG       PRO  33 -17.344   6.659  -5.197
  224   2HG   PRO  33          1HG       PRO  33 -15.869   6.167  -6.043
  225   1HD   PRO  33          2HD       PRO  33 -15.940   8.016  -4.016
  226   2HD   PRO  33          1HD       PRO  33 -14.679   7.950  -5.265
  227    HA   PRO  34           HA       PRO  34 -21.045  10.587  -6.387
  228   1HB   PRO  34          2HB       PRO  34 -22.598   9.356  -8.276
  229   2HB   PRO  34          1HB       PRO  34 -21.620  10.798  -8.617
  230   1HG   PRO  34          2HG       PRO  34 -21.060   7.941  -9.236
  231   2HG   PRO  34          1HG       PRO  34 -20.731   9.392 -10.196
  232   1HD   PRO  34          2HD       PRO  34 -18.830   8.076  -8.743
  233   2HD   PRO  34          1HD       PRO  34 -18.754   9.810  -9.127
  234    H    HIS  35           H        HIS  35 -22.206   9.738  -4.696
  235    HA   HIS  35           HA       HIS  35 -22.092   6.927  -4.004
  236   1HB   HIS  35          2HB       HIS  35 -22.464   9.225  -2.665
  237   2HB   HIS  35          1HB       HIS  35 -24.154   8.773  -2.879
  238    HD1  HIS  35           1HD      HIS  35 -23.043   5.594  -2.827
  239    HD2  HIS  35           2HD      HIS  35 -22.902   8.501   0.161
  240    HE1  HIS  35           1HE      HIS  35 -22.820   4.353  -0.628
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1  -3.239 -11.659  11.513
    2   2H    GLU   1          2HT       GLU   1  -2.489 -10.258  12.114
    3   3H    GLU   1          3HT       GLU   1  -2.215 -10.751  10.512
    4    HA   GLU   1           HA       GLU   1  -4.255 -10.021   9.770
    5   1HB   GLU   1          2HB       GLU   1  -6.135  -9.788  11.446
    6   2HB   GLU   1          1HB       GLU   1  -5.493 -11.426  11.310
    7   1HG   GLU   1          2HG       GLU   1  -4.088  -9.761  13.290
    8   2HG   GLU   1          1HG       GLU   1  -5.784 -10.052  13.676
    9    H    GLN   2           H        GLN   2  -2.267  -8.319   9.939
   10    HA   GLN   2           HA       GLN   2  -3.453  -5.880  11.175
   11   1HB   GLN   2          2HB       GLN   2  -1.395  -5.369  12.315
   12   2HB   GLN   2          1HB       GLN   2  -1.777  -7.049  12.700
   13   1HG   GLN   2          2HG       GLN   2  -0.306  -7.166  10.311
   14   2HG   GLN   2          1HG       GLN   2   0.529  -5.973  11.306
   15   1HE2  GLN   2          1HE2      GLN   2   2.191  -7.029  12.403
   16   2HE2  GLN   2          2HE2      GLN   2   2.051  -8.540  13.161
   17    H    GLU   3           H        GLU   3  -2.865  -7.076   8.385
   18    HA   GLU   3           HA       GLU   3  -2.199  -4.627   7.056
   19   1HB   GLU   3          2HB       GLU   3   0.077  -5.051   6.453
   20   2HB   GLU   3          1HB       GLU   3  -0.018  -5.376   8.179
   21   1HG   GLU   3          2HG       GLU   3  -0.073  -7.737   7.840
   22   2HG   GLU   3          1HG       GLU   3  -0.358  -7.555   6.108
   23    H    CYS   4           H        CYS   4  -2.377  -8.153   7.007
   24    HA   CYS   4           HA       CYS   4  -3.297  -9.610   5.424
   25   1HB   CYS   4          2HB       CYS   4  -5.250  -8.427   5.192
   26   2HB   CYS   4          1HB       CYS   4  -4.419  -6.913   4.870
   27    H    THR   5           H        THR   5  -3.177 -10.008   2.852
   28    HA   THR   5           HA       THR   5  -0.913  -8.653   1.592
   29    HB   THR   5           HB       THR   5   0.701  -9.998   2.379
   30    HG1  THR   5           1HG      THR   5   0.615 -11.396   0.781
   31   1HG2  THR   5          1HG2      THR   5  -0.406 -10.320   4.450
   32   2HG2  THR   5          2HG2      THR   5   0.080 -11.936   3.940
   33   3HG2  THR   5          3HG2      THR   5  -1.592 -11.414   3.737
   34    HA   PRO   6           HA       PRO   6  -2.381 -12.109  -1.392
   35   1HB   PRO   6          2HB       PRO   6  -4.484 -13.681  -0.588
   36   2HB   PRO   6          1HB       PRO   6  -2.778 -14.112  -0.344
   37   1HG   PRO   6          2HG       PRO   6  -4.708 -12.875   1.570
   38   2HG   PRO   6          1HG       PRO   6  -3.528 -14.171   1.839
   39   1HD   PRO   6          2HD       PRO   6  -3.053 -11.658   2.616
   40   2HD   PRO   6          1HD       PRO   6  -1.754 -12.703   2.017
   41    H    GLY   7           H        GLY   7  -4.184  -9.770   0.198
   42   1HA   GLY   7          2HA       GLY   7  -5.565  -8.266  -1.144
   43   2HA   GLY   7          1HA       GLY   7  -6.058  -9.653  -2.115
   44    H    GLN   8           H        GLN   8  -7.300  -7.536  -0.053
   45    HA   GLN   8           HA       GLN   8  -9.388  -9.435   0.863
   46   1HB   GLN   8          2HB       GLN   8  -7.456  -7.877   2.536
   47   2HB   GLN   8          1HB       GLN   8  -9.111  -8.049   3.134
   48   1HG   GLN   8          2HG       GLN   8  -8.715 -10.594   2.469
   49   2HG   GLN   8          1HG       GLN   8  -7.023 -10.148   2.699
   50   1HE2  GLN   8          1HE2      GLN   8  -9.838 -11.138   4.356
   51   2HE2  GLN   8          2HE2      GLN   8  -9.338 -10.748   5.929
   52    H    THR   9           H        THR   9  -8.816  -6.878  -0.885
   53    HA   THR   9           HA       THR   9  -9.890  -4.817  -1.326
   54    HB   THR   9           HB       THR   9 -12.410  -6.253  -0.615
   55    HG1  THR   9           1HG      THR   9 -10.508  -7.100  -2.537
   56   1HG2  THR   9          1HG2      THR   9 -13.136  -5.401  -2.735
   57   2HG2  THR   9          2HG2      THR   9 -11.482  -5.029  -3.221
   58   3HG2  THR   9          3HG2      THR   9 -12.258  -4.092  -1.944
   59    H    LYS  10           H        LYS  10  -9.318  -3.416   0.425
   60    HA   LYS  10           HA       LYS  10 -11.126  -3.443   2.805
   61   1HB   LYS  10          2HB       LYS  10  -8.844  -3.524   3.429
   62   2HB   LYS  10          1HB       LYS  10  -8.372  -2.378   2.172
   63   1HG   LYS  10          2HG       LYS  10  -9.129  -0.537   3.374
   64   2HG   LYS  10          1HG       LYS  10 -10.298  -1.487   4.290
   65   1HD   LYS  10          2HD       LYS  10  -8.717  -2.226   5.810
   66   2HD   LYS  10          1HD       LYS  10  -7.393  -2.099   4.650
   67   1HE   LYS  10          2HE       LYS  10  -8.187   0.525   4.850
   68   2HE   LYS  10          1HE       LYS  10  -8.448  -0.062   6.505
   69   1HZ   LYS  10          1HZ       LYS  10  -5.971   0.040   4.941
   70   2HZ   LYS  10          2HZ       LYS  10  -6.174  -1.253   6.024
   71   3HZ   LYS  10          3HZ       LYS  10  -6.218   0.348   6.591
   72    H    LYS  11           H        LYS  11 -12.943  -2.266   2.042
   73    HA   LYS  11           HA       LYS  11 -12.687   0.183   0.488
   74   1HB   LYS  11          2HB       LYS  11 -15.100   0.236   0.759
   75   2HB   LYS  11          1HB       LYS  11 -14.623  -1.447   0.520
   76   1HG   LYS  11          2HG       LYS  11 -14.678  -1.820   2.954
   77   2HG   LYS  11          1HG       LYS  11 -15.133  -0.134   3.208
   78   1HD   LYS  11          2HD       LYS  11 -16.987  -1.015   1.339
   79   2HD   LYS  11          1HD       LYS  11 -16.796  -2.406   2.407
   80   1HE   LYS  11          2HE       LYS  11 -17.322  -1.059   4.362
   81   2HE   LYS  11          1HE       LYS  11 -17.348   0.420   3.381
   82   1HZ   LYS  11          1HZ       LYS  11 -19.541  -0.122   3.262
   83   2HZ   LYS  11          2HZ       LYS  11 -19.267  -1.786   3.468
   84   3HZ   LYS  11          3HZ       LYS  11 -18.988  -1.057   1.959
   85    H    GLN  12           H        GLN  12 -12.562   2.284   1.270
   86    HA   GLN  12           HA       GLN  12 -12.858   2.679   4.230
   87   1HB   GLN  12          2HB       GLN  12 -10.583   3.041   2.414
   88   2HB   GLN  12          1HB       GLN  12 -10.929   4.480   3.372
   89   1HG   GLN  12          2HG       GLN  12 -10.990   1.889   4.826
   90   2HG   GLN  12          1HG       GLN  12  -9.405   2.449   4.294
   91   1HE2  GLN  12          1HE2      GLN  12 -12.331   4.090   5.658
   92   2HE2  GLN  12          2HE2      GLN  12 -11.468   4.955   6.835
   93    H    ASP  13           H        ASP  13 -12.189   4.748   1.380
   94    HA   ASP  13           HA       ASP  13 -14.782   6.032   1.414
   95   1HB   ASP  13          2HB       ASP  13 -14.028   8.148   2.469
   96   2HB   ASP  13          1HB       ASP  13 -13.871   6.786   3.584
   97    H    CYS  14           H        CYS  14 -13.082   8.664   0.931
   98    HA   CYS  14           HA       CYS  14 -13.212   9.077  -1.709
   99   1HB   CYS  14          2HB       CYS  14 -10.806   9.598   0.058
  100   2HB   CYS  14          1HB       CYS  14 -11.152  10.451  -1.446
  101    H    ASN  15           H        ASN  15 -10.686   7.055  -0.216
  102    HA   ASN  15           HA       ASN  15  -9.907   6.184  -2.982
  103   1HB   ASN  15          2HB       ASN  15  -8.258   6.564  -0.465
  104   2HB   ASN  15          1HB       ASN  15  -7.628   5.972  -2.007
  105   1HD2  ASN  15          1HD2      ASN  15  -7.079   8.569  -0.471
  106   2HD2  ASN  15          2HD2      ASN  15  -7.380   9.802  -1.612
  107    H    THR  16           H        THR  16  -9.655   3.972  -3.297
  108    HA   THR  16           HA       THR  16 -10.691   2.185  -1.172
  109    HB   THR  16           HB       THR  16  -9.909   1.802  -4.083
  110    HG1  THR  16           1HG      THR  16 -12.448   1.858  -2.827
  111   1HG2  THR  16          1HG2      THR  16 -10.861  -0.391  -3.948
  112   2HG2  THR  16          2HG2      THR  16 -11.466  -0.095  -2.318
  113   3HG2  THR  16          3HG2      THR  16  -9.732  -0.254  -2.599
  114    H    CYS  17           H        CYS  17  -9.389   0.567  -0.201
  115    HA   CYS  17           HA       CYS  17  -6.452   0.869  -0.673
  116   1HB   CYS  17          2HB       CYS  17  -8.217   0.599   1.608
  117   2HB   CYS  17          1HB       CYS  17  -6.980  -0.658   1.637
  118    H    ASN  18           H        ASN  18  -5.580  -0.711  -1.930
  119    HA   ASN  18           HA       ASN  18  -6.842  -3.421  -1.962
  120   1HB   ASN  18          2HB       ASN  18  -6.046  -1.695  -3.957
  121   2HB   ASN  18          1HB       ASN  18  -4.649  -2.764  -3.826
  122   1HD2  ASN  18          1HD2      ASN  18  -8.032  -2.600  -4.764
  123   2HD2  ASN  18          2HD2      ASN  18  -8.138  -4.182  -5.369
  124    H    CYS  19           H        CYS  19  -5.728  -5.128  -1.070
  125    HA   CYS  19           HA       CYS  19  -3.347  -4.648   0.501
  126   1HB   CYS  19          2HB       CYS  19  -5.404  -6.391   0.521
  127   2HB   CYS  19          1HB       CYS  19  -4.192  -7.385  -0.284
  128    H    THR  20           H        THR  20  -1.247  -5.540   0.151
  129    HA   THR  20           HA       THR  20  -0.649  -6.287  -2.696
  130    HB   THR  20           HB       THR  20   1.618  -5.273  -1.223
  131    HG1  THR  20           1HG      THR  20  -0.315  -3.293  -1.420
  132   1HG2  THR  20          1HG2      THR  20   0.832  -5.243  -3.764
  133   2HG2  THR  20          2HG2      THR  20   1.899  -3.992  -3.126
  134   3HG2  THR  20          3HG2      THR  20   0.172  -3.676  -3.294
  135    HA   PRO  21           HA       PRO  21   1.459  -9.832  -1.138
  136   1HB   PRO  21          2HB       PRO  21   4.043  -9.725  -2.022
  137   2HB   PRO  21          1HB       PRO  21   2.668 -10.037  -3.097
  138   1HG   PRO  21          2HG       PRO  21   4.219  -7.541  -2.687
  139   2HG   PRO  21          1HG       PRO  21   3.484  -8.187  -4.161
  140   1HD   PRO  21          2HD       PRO  21   2.415  -6.157  -2.640
  141   2HD   PRO  21          1HD       PRO  21   1.482  -7.189  -3.744
  142    H    THR  22           H        THR  22   1.362  -7.844   0.870
  143    HA   THR  22           HA       THR  22   3.101  -8.715   2.866
  144    HB   THR  22           HB       THR  22   5.021  -8.055   1.636
  145    HG1  THR  22           1HG      THR  22   5.505  -7.157   3.481
  146   1HG2  THR  22          1HG2      THR  22   4.637  -5.322   1.010
  147   2HG2  THR  22          2HG2      THR  22   3.176  -6.161   0.491
  148   3HG2  THR  22          3HG2      THR  22   4.750  -6.673  -0.118
  149    H    GLY  23           H        GLY  23   0.446  -7.623   2.648
  150   1HA   GLY  23          2HA       GLY  23  -0.976  -6.083   3.709
  151   2HA   GLY  23          1HA       GLY  23   0.287  -5.995   4.930
  152    H    VAL  24           H        VAL  24  -0.416  -3.703   5.051
  153    HA   VAL  24           HA       VAL  24   0.105  -1.439   4.743
  154    HB   VAL  24           HB       VAL  24   2.159  -0.944   3.849
  155   1HG1  VAL  24          1HG1      VAL  24   2.868  -3.781   3.516
  156   2HG1  VAL  24          2HG1      VAL  24   2.072  -3.398   5.042
  157   3HG1  VAL  24          3HG1      VAL  24   3.554  -2.560   4.587
  158   1HG2  VAL  24          1HG2      VAL  24   2.867  -2.679   1.799
  159   2HG2  VAL  24          2HG2      VAL  24   2.264  -1.037   1.596
  160   3HG2  VAL  24          3HG2      VAL  24   1.153  -2.399   1.513
  161    H    TRP  25           H        TRP  25  -1.346  -3.402   2.453
  162    HA   TRP  25           HA       TRP  25  -2.544  -2.954   0.443
  163   1HB   TRP  25          2HB       TRP  25  -3.264  -0.615   2.233
  164   2HB   TRP  25          1HB       TRP  25  -4.280  -1.325   0.979
  165    HD1  TRP  25           HD       TRP  25  -2.566  -2.349   4.285
  166    HE1  TRP  25           1HE      TRP  25  -4.010  -4.165   5.410
  167    HE3  TRP  25           3HE      TRP  25  -6.151  -2.971   0.702
  168    HZ2  TRP  25           2HZ      TRP  25  -6.375  -5.679   4.862
  169    HZ3  TRP  25           3HZ      TRP  25  -7.986  -4.602   1.029
  170    HH2  TRP  25           HH       TRP  25  -8.103  -5.957   3.103
  171    H    ALA  26           H        ALA  26  -3.412  -0.332  -0.425
  172    HA   ALA  26           HA       ALA  26  -0.857   1.029  -1.169
  173   1HB   ALA  26          1HB       ALA  26  -1.051  -0.082  -3.149
  174   2HB   ALA  26          2HB       ALA  26  -2.354   1.057  -3.486
  175   3HB   ALA  26          3HB       ALA  26  -2.723  -0.535  -2.825
  176    H    CYS  27           H        CYS  27  -4.340   1.239  -2.001
  177    HA   CYS  27           HA       CYS  27  -5.830   3.067  -1.846
  178   1HB   CYS  27          2HB       CYS  27  -4.035   3.070   0.462
  179   2HB   CYS  27          1HB       CYS  27  -4.652   4.680   0.097
  180    H    THR  28           H        THR  28  -5.722   4.364  -3.654
  181    HA   THR  28           HA       THR  28  -3.294   5.856  -4.341
  182    HB   THR  28           HB       THR  28  -5.664   6.614  -5.808
  183    HG1  THR  28           1HG      THR  28  -6.386   4.603  -6.387
  184   1HG2  THR  28          1HG2      THR  28  -4.270   6.232  -7.558
  185   2HG2  THR  28          2HG2      THR  28  -3.812   4.635  -6.964
  186   3HG2  THR  28          3HG2      THR  28  -3.031   6.075  -6.313
  187    H    ARG  29           H        ARG  29  -4.767   8.191  -5.377
  188    HA   ARG  29           HA       ARG  29  -5.695   9.514  -2.865
  189   1HB   ARG  29          2HB       ARG  29  -3.400  10.272  -4.681
  190   2HB   ARG  29          1HB       ARG  29  -4.161  11.449  -3.609
  191   1HG   ARG  29          2HG       ARG  29  -3.482  10.318  -1.670
  192   2HG   ARG  29          1HG       ARG  29  -3.240   8.796  -2.528
  193   1HD   ARG  29          2HD       ARG  29  -1.025   9.458  -2.348
  194   2HD   ARG  29          1HD       ARG  29  -1.435  10.316  -3.847
  195    HE   ARG  29           HE       ARG  29  -1.975  11.726  -1.295
  196   1HH1  ARG  29          1HH1      ARG  29   0.980  11.236  -2.299
  197   2HH1  ARG  29          2HH1      ARG  29   1.295  12.788  -3.000
  198   1HH2  ARG  29          1HH2      ARG  29  -2.036  13.759  -2.992
  199   2HH2  ARG  29          2HH2      ARG  29  -0.414  14.219  -3.389
  200    H    LYS  30           H        LYS  30  -7.341  10.987  -3.242
  201    HA   LYS  30           HA       LYS  30  -7.753  12.418  -5.697
  202   1HB   LYS  30          2HB       LYS  30  -8.158   9.888  -6.210
  203   2HB   LYS  30          1HB       LYS  30  -9.673  10.122  -5.338
  204   1HG   LYS  30          2HG       LYS  30 -10.592  11.067  -7.158
  205   2HG   LYS  30          1HG       LYS  30  -9.339  12.308  -7.155
  206   1HD   LYS  30          2HD       LYS  30  -8.574  11.413  -9.076
  207   2HD   LYS  30          1HD       LYS  30  -8.065  10.010  -8.135
  208   1HE   LYS  30          2HE       LYS  30  -9.478   8.922  -9.608
  209   2HE   LYS  30          1HE       LYS  30 -10.702   9.428  -8.426
  210   1HZ   LYS  30          1HZ       LYS  30  -9.852  10.949 -10.836
  211   2HZ   LYS  30          2HZ       LYS  30 -10.946  11.515  -9.664
  212   3HZ   LYS  30          3HZ       LYS  30 -11.343  10.168 -10.623
  213    H    GLY  31           H        GLY  31 -10.058  13.376  -5.718
  214   1HA   GLY  31          2HA       GLY  31 -10.776  14.104  -2.951
  215   2HA   GLY  31          1HA       GLY  31 -11.427  14.843  -4.420
  216    H    CYS  32           H        CYS  32 -11.276  11.429  -3.457
  217    HA   CYS  32           HA       CYS  32 -12.946   9.802  -3.296
  218   1HB   CYS  32          2HB       CYS  32 -15.078  11.762  -2.679
  219   2HB   CYS  32          1HB       CYS  32 -14.559  10.357  -1.766
  220    HA   PRO  33           HA       PRO  33 -14.829   9.966  -7.237
  221   1HB   PRO  33          2HB       PRO  33 -16.189   7.594  -7.109
  222   2HB   PRO  33          1HB       PRO  33 -14.442   7.716  -7.383
  223   1HG   PRO  33          2HG       PRO  33 -15.920   7.001  -4.920
  224   2HG   PRO  33          1HG       PRO  33 -14.352   6.438  -5.506
  225   1HD   PRO  33          2HD       PRO  33 -14.698   8.323  -3.515
  226   2HD   PRO  33          1HD       PRO  33 -13.221   8.119  -4.481
  227    HA   PRO  34           HA       PRO  34 -19.375   9.897  -5.713
  228   1HB   PRO  34          2HB       PRO  34 -19.809  10.453  -3.073
  229   2HB   PRO  34          1HB       PRO  34 -19.636   8.801  -3.696
  230   1HG   PRO  34          2HG       PRO  34 -17.677  10.490  -2.247
  231   2HG   PRO  34          1HG       PRO  34 -17.937   8.742  -2.175
  232   1HD   PRO  34          2HD       PRO  34 -15.908   9.968  -3.560
  233   2HD   PRO  34          1HD       PRO  34 -16.528   8.344  -3.905
  234    H    HIS  35           H        HIS  35 -16.870  12.023  -5.245
  235    HA   HIS  35           HA       HIS  35 -18.471  14.378  -4.459
  236   1HB   HIS  35          2HB       HIS  35 -15.905  13.626  -4.070
  237   2HB   HIS  35          1HB       HIS  35 -15.700  14.589  -5.532
  238    HD1  HIS  35           1HD      HIS  35 -15.759  14.958  -1.976
  239    HD2  HIS  35           2HD      HIS  35 -17.150  17.272  -5.153
  240    HE1  HIS  35           1HE      HIS  35 -16.082  17.300  -1.069
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1   2.884  -9.806   5.115
    2   2H    GLU   1          2HT       GLU   1   3.764  -9.805   6.568
    3   3H    GLU   1          3HT       GLU   1   2.151  -9.269   6.547
    4    HA   GLU   1           HA       GLU   1   1.756 -11.707   5.612
    5   1HB   GLU   1          2HB       GLU   1   4.204 -12.089   5.628
    6   2HB   GLU   1          1HB       GLU   1   4.231 -11.800   7.367
    7   1HG   GLU   1          2HG       GLU   1   2.875 -13.738   7.795
    8   2HG   GLU   1          1HG       GLU   1   2.535 -13.949   6.076
    9    H    GLN   2           H        GLN   2   2.572  -9.824   8.472
   10    HA   GLN   2           HA       GLN   2   0.712 -11.439  10.150
   11   1HB   GLN   2          2HB       GLN   2   1.744 -10.124  11.971
   12   2HB   GLN   2          1HB       GLN   2   2.982 -10.868  10.959
   13   1HG   GLN   2          2HG       GLN   2   3.405  -8.807   9.807
   14   2HG   GLN   2          1HG       GLN   2   1.986  -8.044  10.526
   15   1HE2  GLN   2          1HE2      GLN   2   4.155 -10.134  12.398
   16   2HE2  GLN   2          2HE2      GLN   2   4.785  -8.899  13.378
   17    H    GLU   3           H        GLU   3   0.438  -8.932   8.034
   18    HA   GLU   3           HA       GLU   3  -1.709  -7.583   9.648
   19   1HB   GLU   3          2HB       GLU   3  -1.113  -5.773   7.735
   20   2HB   GLU   3          1HB       GLU   3  -0.238  -5.834   9.258
   21   1HG   GLU   3          2HG       GLU   3   1.489  -7.256   8.216
   22   2HG   GLU   3          1HG       GLU   3   0.600  -7.227   6.697
   23    H    CYS   4           H        CYS   4  -0.708  -8.824   6.498
   24    HA   CYS   4           HA       CYS   4  -3.304  -9.715   5.710
   25   1HB   CYS   4          2HB       CYS   4  -3.960  -7.411   5.702
   26   2HB   CYS   4          1HB       CYS   4  -2.454  -6.913   4.928
   27    H    THR   5           H        THR   5  -3.317 -10.269   3.339
   28    HA   THR   5           HA       THR   5  -0.532 -10.560   2.268
   29    HB   THR   5           HB       THR   5  -2.447 -12.636   1.555
   30    HG1  THR   5           1HG      THR   5  -2.095 -13.425   3.900
   31   1HG2  THR   5          1HG2      THR   5   0.321 -12.327   2.029
   32   2HG2  THR   5          2HG2      THR   5  -0.511 -13.782   1.481
   33   3HG2  THR   5          3HG2      THR   5  -0.256 -13.509   3.204
   34    HA   PRO   6           HA       PRO   6  -2.296  -9.409  -1.624
   35   1HB   PRO   6          2HB       PRO   6  -1.753 -11.385  -3.428
   36   2HB   PRO   6          1HB       PRO   6  -0.495 -10.351  -2.725
   37   1HG   PRO   6          2HG       PRO   6  -1.152 -13.163  -2.154
   38   2HG   PRO   6          1HG       PRO   6   0.382 -12.305  -1.988
   39   1HD   PRO   6          2HD       PRO   6  -1.425 -12.965   0.072
   40   2HD   PRO   6          1HD       PRO   6  -0.004 -11.913   0.205
   41    H    GLY   7           H        GLY   7  -4.576  -9.541  -0.896
   42   1HA   GLY   7          2HA       GLY   7  -6.374 -10.706  -2.639
   43   2HA   GLY   7          1HA       GLY   7  -6.112 -11.962  -1.426
   44    H    GLN   8           H        GLN   8  -6.085  -8.482  -0.749
   45    HA   GLN   8           HA       GLN   8  -8.628  -8.861   0.793
   46   1HB   GLN   8          2HB       GLN   8  -5.951  -7.691   1.477
   47   2HB   GLN   8          1HB       GLN   8  -7.392  -7.024   2.248
   48   1HG   GLN   8          2HG       GLN   8  -7.865  -9.693   2.523
   49   2HG   GLN   8          1HG       GLN   8  -6.104  -9.658   2.627
   50   1HE2  GLN   8          1HE2      GLN   8  -7.232 -10.358   4.977
   51   2HE2  GLN   8          2HE2      GLN   8  -7.268  -9.069   6.079
   52    H    THR   9           H        THR   9  -9.249  -6.356   1.479
   53    HA   THR   9           HA       THR   9  -8.737  -4.291  -0.458
   54    HB   THR   9           HB       THR   9 -11.444  -4.848  -1.066
   55    HG1  THR   9           1HG      THR   9 -11.453  -6.951  -1.617
   56   1HG2  THR   9          1HG2      THR   9  -8.810  -4.901  -2.466
   57   2HG2  THR   9          2HG2      THR   9 -10.238  -3.919  -2.795
   58   3HG2  THR   9          3HG2      THR   9 -10.196  -5.610  -3.295
   59    H    LYS  10           H        LYS  10  -9.363  -2.395   0.518
   60    HA   LYS  10           HA       LYS  10 -11.342  -2.571   2.763
   61   1HB   LYS  10          2HB       LYS  10  -9.273  -0.421   2.237
   62   2HB   LYS  10          1HB       LYS  10 -10.093  -0.782   3.756
   63   1HG   LYS  10          2HG       LYS  10  -8.785  -3.163   2.840
   64   2HG   LYS  10          1HG       LYS  10  -7.623  -1.835   2.816
   65   1HD   LYS  10          2HD       LYS  10  -9.206  -1.652   5.208
   66   2HD   LYS  10          1HD       LYS  10  -8.551  -3.284   5.075
   67   1HE   LYS  10          2HE       LYS  10  -6.611  -2.425   5.898
   68   2HE   LYS  10          1HE       LYS  10  -6.418  -1.618   4.328
   69   1HZ   LYS  10          1HZ       LYS  10  -6.450   0.136   5.839
   70   2HZ   LYS  10          2HZ       LYS  10  -7.660  -0.572   6.799
   71   3HZ   LYS  10          3HZ       LYS  10  -8.051   0.083   5.280
   72    H    LYS  11           H        LYS  11 -12.562  -0.392   3.052
   73    HA   LYS  11           HA       LYS  11 -13.126   0.890   0.404
   74   1HB   LYS  11          2HB       LYS  11 -15.547   0.700   0.987
   75   2HB   LYS  11          1HB       LYS  11 -14.772  -0.876   0.829
   76   1HG   LYS  11          2HG       LYS  11 -15.043  -1.367   3.031
   77   2HG   LYS  11          1HG       LYS  11 -14.632   0.271   3.541
   78   1HD   LYS  11          2HD       LYS  11 -16.820   1.048   3.275
   79   2HD   LYS  11          1HD       LYS  11 -17.244  -0.243   2.150
   80   1HE   LYS  11          2HE       LYS  11 -17.442  -1.851   3.882
   81   2HE   LYS  11          1HE       LYS  11 -16.551  -0.836   5.035
   82   1HZ   LYS  11          1HZ       LYS  11 -18.292   0.722   5.103
   83   2HZ   LYS  11          2HZ       LYS  11 -19.057  -0.789   5.234
   84   3HZ   LYS  11          3HZ       LYS  11 -19.072   0.049   3.756
   85    H    GLN  12           H        GLN  12 -11.615   2.458   1.744
   86    HA   GLN  12           HA       GLN  12 -12.938   3.938   3.909
   87   1HB   GLN  12          2HB       GLN  12 -10.328   3.849   2.487
   88   2HB   GLN  12          1HB       GLN  12 -10.768   5.405   3.189
   89   1HG   GLN  12          2HG       GLN  12 -10.147   4.645   5.211
   90   2HG   GLN  12          1HG       GLN  12 -11.412   3.419   5.115
   91   1HE2  GLN  12          1HE2      GLN  12  -8.065   3.805   5.383
   92   2HE2  GLN  12          2HE2      GLN  12  -7.590   2.259   4.868
   93    H    ASP  13           H        ASP  13 -13.081   6.414   3.640
   94    HA   ASP  13           HA       ASP  13 -14.963   7.254   1.804
   95   1HB   ASP  13          2HB       ASP  13 -13.107   8.387   3.639
   96   2HB   ASP  13          1HB       ASP  13 -12.998   9.333   2.151
   97    H    CYS  14           H        CYS  14 -14.631   6.351  -0.293
   98    HA   CYS  14           HA       CYS  14 -13.903   6.378  -2.517
   99   1HB   CYS  14          2HB       CYS  14 -13.754   8.526  -3.107
  100   2HB   CYS  14          1HB       CYS  14 -13.647   8.946  -1.410
  101    H    ASN  15           H        ASN  15 -11.169   7.401  -0.435
  102    HA   ASN  15           HA       ASN  15  -9.126   6.441  -2.019
  103   1HB   ASN  15          2HB       ASN  15  -9.465   6.567   0.987
  104   2HB   ASN  15          1HB       ASN  15  -7.912   6.229   0.217
  105   1HD2  ASN  15          1HD2      ASN  15  -7.795   8.500   1.644
  106   2HD2  ASN  15          2HD2      ASN  15  -7.941   9.891   0.667
  107    H    THR  16           H        THR  16  -9.808   4.404  -2.987
  108    HA   THR  16           HA       THR  16 -10.534   2.092  -1.410
  109    HB   THR  16           HB       THR  16  -9.379   2.302  -4.210
  110    HG1  THR  16           1HG      THR  16 -11.362   2.801  -4.854
  111   1HG2  THR  16          1HG2      THR  16 -11.221   0.282  -4.207
  112   2HG2  THR  16          2HG2      THR  16 -10.544   0.134  -2.585
  113   3HG2  THR  16          3HG2      THR  16  -9.487   0.041  -3.993
  114    H    CYS  17           H        CYS  17  -9.180   0.665  -0.369
  115    HA   CYS  17           HA       CYS  17  -6.234   0.973  -0.828
  116   1HB   CYS  17          2HB       CYS  17  -8.000   0.779   1.491
  117   2HB   CYS  17          1HB       CYS  17  -6.671  -0.377   1.572
  118    H    ASN  18           H        ASN  18  -5.212  -0.766  -1.722
  119    HA   ASN  18           HA       ASN  18  -6.605  -3.425  -1.644
  120   1HB   ASN  18          2HB       ASN  18  -4.937  -1.950  -3.677
  121   2HB   ASN  18          1HB       ASN  18  -5.062  -3.708  -3.748
  122   1HD2  ASN  18          1HD2      ASN  18  -6.367  -1.154  -5.238
  123   2HD2  ASN  18          2HD2      ASN  18  -7.971  -1.675  -5.436
  124    H    CYS  19           H        CYS  19  -5.361  -5.208  -0.985
  125    HA   CYS  19           HA       CYS  19  -2.841  -4.598   0.431
  126   1HB   CYS  19          2HB       CYS  19  -4.938  -6.096   1.068
  127   2HB   CYS  19          1HB       CYS  19  -4.067  -7.324   0.153
  128    H    THR  20           H        THR  20  -1.154  -6.517   0.201
  129    HA   THR  20           HA       THR  20  -0.853  -7.387  -2.637
  130    HB   THR  20           HB       THR  20   1.677  -6.469  -1.704
  131    HG1  THR  20           1HG      THR  20   1.211  -4.354  -1.171
  132   1HG2  THR  20          1HG2      THR  20  -0.143  -6.114  -3.919
  133   2HG2  THR  20          2HG2      THR  20   1.613  -5.953  -3.891
  134   3HG2  THR  20          3HG2      THR  20   0.595  -4.571  -3.485
  135    HA   PRO  21           HA       PRO  21   1.070 -10.950  -0.923
  136   1HB   PRO  21          2HB       PRO  21   3.539 -11.177  -2.092
  137   2HB   PRO  21          1HB       PRO  21   2.023 -11.506  -2.956
  138   1HG   PRO  21          2HG       PRO  21   3.740  -9.072  -3.006
  139   2HG   PRO  21          1HG       PRO  21   2.882  -9.876  -4.330
  140   1HD   PRO  21          2HD       PRO  21   1.961  -7.624  -3.134
  141   2HD   PRO  21          1HD       PRO  21   0.887  -8.849  -3.844
  142    H    THR  22           H        THR  22   1.204  -9.110   0.967
  143    HA   THR  22           HA       THR  22   3.230  -9.748   2.760
  144    HB   THR  22           HB       THR  22   4.966  -9.038   1.325
  145    HG1  THR  22           1HG      THR  22   4.881  -6.537   2.312
  146   1HG2  THR  22          1HG2      THR  22   4.174  -7.956  -0.516
  147   2HG2  THR  22          2HG2      THR  22   4.550  -6.498   0.403
  148   3HG2  THR  22          3HG2      THR  22   2.906  -7.136   0.394
  149    H    GLY  23           H        GLY  23   0.484  -8.715   2.636
  150   1HA   GLY  23          2HA       GLY  23  -0.900  -7.312   3.897
  151   2HA   GLY  23          1HA       GLY  23   0.511  -6.995   4.907
  152    H    VAL  24           H        VAL  24   0.623  -4.808   5.081
  153    HA   VAL  24           HA       VAL  24   0.706  -2.535   4.442
  154    HB   VAL  24           HB       VAL  24   1.759  -3.717   1.861
  155   1HG1  VAL  24          1HG1      VAL  24   2.080  -1.500   1.495
  156   2HG1  VAL  24          2HG1      VAL  24   3.381  -1.634   2.678
  157   3HG1  VAL  24          3HG1      VAL  24   1.782  -1.094   3.185
  158   1HG2  VAL  24          1HG2      VAL  24   3.151  -4.905   3.225
  159   2HG2  VAL  24          2HG2      VAL  24   2.788  -3.902   4.630
  160   3HG2  VAL  24          3HG2      VAL  24   3.963  -3.354   3.435
  161    H    TRP  25           H        TRP  25   0.049  -1.020   2.488
  162    HA   TRP  25           HA       TRP  25  -2.187  -2.107   0.875
  163   1HB   TRP  25          2HB       TRP  25  -2.421  -0.029   3.073
  164   2HB   TRP  25          1HB       TRP  25  -3.685  -0.330   1.882
  165    HD1  TRP  25           HD       TRP  25  -1.892  -1.969   4.834
  166    HE1  TRP  25           1HE      TRP  25  -3.310  -3.961   5.662
  167    HE3  TRP  25           3HE      TRP  25  -5.461  -2.065   1.187
  168    HZ2  TRP  25           2HZ      TRP  25  -5.666  -5.396   4.866
  169    HZ3  TRP  25           3HZ      TRP  25  -7.276  -3.749   1.243
  170    HH2  TRP  25           HH       TRP  25  -7.381  -5.413   3.073
  171    H    ALA  26           H        ALA  26  -3.280   0.452   0.247
  172    HA   ALA  26           HA       ALA  26  -1.291   2.402  -0.486
  173   1HB   ALA  26          1HB       ALA  26  -2.217   0.562  -2.704
  174   2HB   ALA  26          2HB       ALA  26  -0.675   0.362  -1.870
  175   3HB   ALA  26          3HB       ALA  26  -0.989   1.825  -2.803
  176    H    CYS  27           H        CYS  27  -3.192   3.648   0.305
  177    HA   CYS  27           HA       CYS  27  -5.618   3.535  -1.353
  178   1HB   CYS  27          2HB       CYS  27  -4.712   4.668   1.221
  179   2HB   CYS  27          1HB       CYS  27  -5.878   5.672   0.361
  180    H    THR  28           H        THR  28  -6.322   5.280  -2.694
  181    HA   THR  28           HA       THR  28  -4.167   7.243  -3.408
  182    HB   THR  28           HB       THR  28  -4.732   5.436  -5.060
  183    HG1  THR  28           1HG      THR  28  -4.044   7.057  -6.209
  184   1HG2  THR  28          1HG2      THR  28  -6.858   5.036  -5.760
  185   2HG2  THR  28          2HG2      THR  28  -7.286   6.747  -5.763
  186   3HG2  THR  28          3HG2      THR  28  -7.308   5.835  -4.253
  187    H    ARG  29           H        ARG  29  -4.760   9.204  -2.553
  188    HA   ARG  29           HA       ARG  29  -7.591   9.925  -2.184
  189   1HB   ARG  29          2HB       ARG  29  -5.958  10.493  -0.489
  190   2HB   ARG  29          1HB       ARG  29  -4.932  11.293  -1.681
  191   1HG   ARG  29          2HG       ARG  29  -6.149  13.202  -1.608
  192   2HG   ARG  29          1HG       ARG  29  -7.680  12.324  -1.642
  193   1HD   ARG  29          2HD       ARG  29  -7.834  13.094   0.524
  194   2HD   ARG  29          1HD       ARG  29  -6.800  11.692   0.866
  195    HE   ARG  29           HE       ARG  29  -4.869  13.162   0.874
  196   1HH1  ARG  29          1HH2      ARG  29  -7.205  14.645   2.372
  197   2HH1  ARG  29          2HH2      ARG  29  -6.916  16.260   1.816
  198   1HH2  ARG  29          1HH1      ARG  29  -4.786  15.281  -0.740
  199   2HH2  ARG  29          2HH1      ARG  29  -5.546  16.620   0.052
  200    H    LYS  30           H        LYS  30  -8.548  10.355  -4.192
  201    HA   LYS  30           HA       LYS  30  -8.064  12.858  -5.477
  202   1HB   LYS  30          2HB       LYS  30  -6.298  10.673  -6.159
  203   2HB   LYS  30          1HB       LYS  30  -7.230  11.151  -7.578
  204   1HG   LYS  30          2HG       LYS  30  -5.956  13.249  -5.840
  205   2HG   LYS  30          1HG       LYS  30  -4.995  12.409  -7.054
  206   1HD   LYS  30          2HD       LYS  30  -7.250  13.039  -8.483
  207   2HD   LYS  30          1HD       LYS  30  -7.112  14.428  -7.406
  208   1HE   LYS  30          2HE       LYS  30  -5.024  13.392  -9.350
  209   2HE   LYS  30          1HE       LYS  30  -5.799  14.989  -9.334
  210   1HZ   LYS  30          1HZ       LYS  30  -4.901  15.016  -6.902
  211   2HZ   LYS  30          2HZ       LYS  30  -3.877  15.438  -8.191
  212   3HZ   LYS  30          3HZ       LYS  30  -3.784  13.889  -7.500
  213    H    GLY  31           H        GLY  31 -10.404  12.768  -5.371
  214   1HA   GLY  31          2HA       GLY  31 -12.054  12.501  -7.352
  215   2HA   GLY  31          1HA       GLY  31 -11.679  10.781  -7.200
  216    H    CYS  32           H        CYS  32 -12.275  13.279  -4.716
  217    HA   CYS  32           HA       CYS  32 -14.898  12.374  -3.995
  218   1HB   CYS  32          2HB       CYS  32 -14.050  11.185  -1.836
  219   2HB   CYS  32          1HB       CYS  32 -13.947  10.309  -3.362
  220    HA   PRO  33           HA       PRO  33 -14.549  15.890  -1.417
  221   1HB   PRO  33          2HB       PRO  33 -16.349  15.333   0.565
  222   2HB   PRO  33          1HB       PRO  33 -16.832  15.725  -1.097
  223   1HG   PRO  33          2HG       PRO  33 -16.744  13.105   0.276
  224   2HG   PRO  33          1HG       PRO  33 -17.836  13.685  -0.989
  225   1HD   PRO  33          2HD       PRO  33 -15.674  11.982  -1.377
  226   2HD   PRO  33          1HD       PRO  33 -16.494  12.912  -2.645
  227    HA   PRO  34           HA       PRO  34 -11.610  14.672   1.685
  228   1HB   PRO  34          2HB       PRO  34 -10.960  17.194   2.521
  229   2HB   PRO  34          1HB       PRO  34 -10.360  16.493   1.006
  230   1HG   PRO  34          2HG       PRO  34 -12.553  18.449   1.446
  231   2HG   PRO  34          1HG       PRO  34 -11.377  18.347   0.128
  232   1HD   PRO  34          2HD       PRO  34 -13.981  17.507  -0.060
  233   2HD   PRO  34          1HD       PRO  34 -12.654  16.889  -1.068
  234    H    HIS  35           H        HIS  35 -12.758  17.661   3.125
  235    HA   HIS  35           HA       HIS  35 -13.679  18.011   5.286
  236   1HB   HIS  35          2HB       HIS  35 -15.391  16.461   3.518
  237   2HB   HIS  35          1HB       HIS  35 -15.742  16.102   5.209
  238    HD1  HIS  35           1HD      HIS  35 -15.165  18.875   6.447
  239    HD2  HIS  35           2HD      HIS  35 -17.413  18.311   2.980
  240    HE1  HIS  35           1HE      HIS  35 -16.642  20.920   6.209
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1   4.118 -11.777  12.945
    2   2H    GLU   1          2HT       GLU   1   2.920 -10.763  13.597
    3   3H    GLU   1          3HT       GLU   1   4.558 -10.487  13.954
    4    HA   GLU   1           HA       GLU   1   3.799  -8.884  12.311
    5   1HB   GLU   1          2HB       GLU   1   5.725 -11.093  11.568
    6   2HB   GLU   1          1HB       GLU   1   5.544  -9.653  10.565
    7   1HG   GLU   1          2HG       GLU   1   6.140  -9.533  13.533
    8   2HG   GLU   1          1HG       GLU   1   7.397  -9.522  12.295
    9    H    GLN   2           H        GLN   2   1.770  -8.878  11.327
   10    HA   GLN   2           HA       GLN   2   1.445 -10.128   8.752
   11   1HB   GLN   2          2HB       GLN   2   1.255 -12.135  10.150
   12   2HB   GLN   2          1HB       GLN   2   0.008 -11.357  11.127
   13   1HG   GLN   2          2HG       GLN   2  -1.391 -11.133   9.055
   14   2HG   GLN   2          1HG       GLN   2  -0.179 -12.077   8.188
   15   1HE2  GLN   2          1HE2      GLN   2  -2.738 -13.158   8.323
   16   2HE2  GLN   2          2HE2      GLN   2  -2.766 -14.470   9.399
   17    H    GLU   3           H        GLU   3  -0.081  -8.913   7.676
   18    HA   GLU   3           HA       GLU   3  -2.180  -7.522   9.302
   19   1HB   GLU   3          2HB       GLU   3  -1.363  -5.969   7.001
   20   2HB   GLU   3          1HB       GLU   3  -1.342  -5.506   8.696
   21   1HG   GLU   3          2HG       GLU   3   0.828  -7.226   7.474
   22   2HG   GLU   3          1HG       GLU   3   0.910  -5.465   7.474
   23    H    CYS   4           H        CYS   4  -1.229  -7.839   5.871
   24    HA   CYS   4           HA       CYS   4  -3.678  -9.312   5.202
   25   1HB   CYS   4          2HB       CYS   4  -4.641  -7.137   5.361
   26   2HB   CYS   4          1HB       CYS   4  -3.235  -6.379   4.609
   27    H    THR   5           H        THR   5  -3.723  -9.700   2.760
   28    HA   THR   5           HA       THR   5  -1.275  -9.150   1.266
   29    HB   THR   5           HB       THR   5  -1.485 -12.025   1.487
   30    HG1  THR   5           1HG      THR   5  -1.064 -12.225   3.653
   31   1HG2  THR   5          1HG2      THR   5   0.506  -9.880   1.606
   32   2HG2  THR   5          2HG2      THR   5   0.646 -11.507   0.939
   33   3HG2  THR   5          3HG2      THR   5   0.881 -11.239   2.666
   34    HA   PRO   6           HA       PRO   6  -4.064 -11.862  -1.446
   35   1HB   PRO   6          2HB       PRO   6  -6.238 -13.114  -0.359
   36   2HB   PRO   6          1HB       PRO   6  -4.620 -13.842  -0.405
   37   1HG   PRO   6          2HG       PRO   6  -6.048 -12.548   1.849
   38   2HG   PRO   6          1HG       PRO   6  -4.937 -13.924   1.852
   39   1HD   PRO   6          2HD       PRO   6  -4.261 -11.369   2.604
   40   2HD   PRO   6          1HD       PRO   6  -3.105 -12.599   2.060
   41    H    GLY   7           H        GLY   7  -4.433  -9.189  -1.030
   42   1HA   GLY   7          2HA       GLY   7  -5.978  -7.407  -1.144
   43   2HA   GLY   7          1HA       GLY   7  -6.774  -8.483  -2.294
   44    H    GLN   8           H        GLN   8  -6.750  -7.370   1.043
   45    HA   GLN   8           HA       GLN   8  -9.178  -8.969   1.659
   46   1HB   GLN   8          2HB       GLN   8  -7.185  -7.303   3.187
   47   2HB   GLN   8          1HB       GLN   8  -8.724  -7.752   3.930
   48   1HG   GLN   8          2HG       GLN   8  -7.573 -10.059   2.645
   49   2HG   GLN   8          1HG       GLN   8  -6.384  -9.338   3.730
   50   1HE2  GLN   8          1HE2      GLN   8  -9.977  -9.660   3.941
   51   2HE2  GLN   8          2HE2      GLN   8  -9.965 -10.391   5.472
   52    H    THR   9           H        THR   9  -8.738  -6.319  -0.054
   53    HA   THR   9           HA       THR   9 -10.106  -4.483  -0.582
   54    HB   THR   9           HB       THR   9 -12.179  -5.574   1.281
   55    HG1  THR   9           1HG      THR   9 -11.553  -6.805  -1.181
   56   1HG2  THR   9          1HG2      THR   9 -12.161  -4.574  -1.579
   57   2HG2  THR   9          2HG2      THR   9 -12.767  -3.712  -0.165
   58   3HG2  THR   9          3HG2      THR   9 -13.597  -5.158  -0.737
   59    H    LYS  10           H        LYS  10 -10.436  -2.406   0.264
   60    HA   LYS  10           HA       LYS  10 -10.396  -2.084   3.236
   61   1HB   LYS  10          2HB       LYS  10  -8.135  -1.869   1.879
   62   2HB   LYS  10          1HB       LYS  10  -8.783  -0.287   1.446
   63   1HG   LYS  10          2HG       LYS  10  -7.587   0.176   3.412
   64   2HG   LYS  10          1HG       LYS  10  -9.233  -0.044   4.007
   65   1HD   LYS  10          2HD       LYS  10  -8.755  -2.336   4.649
   66   2HD   LYS  10          1HD       LYS  10  -7.153  -2.245   3.918
   67   1HE   LYS  10          2HE       LYS  10  -6.465  -0.541   5.540
   68   2HE   LYS  10          1HE       LYS  10  -8.092  -0.530   6.246
   69   1HZ   LYS  10          1HZ       LYS  10  -5.999  -2.531   6.468
   70   2HZ   LYS  10          2HZ       LYS  10  -7.564  -3.142   6.221
   71   3HZ   LYS  10          3HZ       LYS  10  -7.240  -2.140   7.554
   72    H    LYS  11           H        LYS  11 -10.934  -0.606   0.045
   73    HA   LYS  11           HA       LYS  11 -12.582   0.940  -0.644
   74   1HB   LYS  11          2HB       LYS  11 -13.583  -0.535   1.574
   75   2HB   LYS  11          1HB       LYS  11 -14.069   1.146   1.806
   76   1HG   LYS  11          2HG       LYS  11 -14.450   0.600  -0.938
   77   2HG   LYS  11          1HG       LYS  11 -15.105  -0.789  -0.069
   78   1HD   LYS  11          2HD       LYS  11 -16.286   0.903   1.446
   79   2HD   LYS  11          1HD       LYS  11 -15.855   2.122   0.246
   80   1HE   LYS  11          2HE       LYS  11 -17.080   0.918  -1.491
   81   2HE   LYS  11          1HE       LYS  11 -17.425  -0.408  -0.363
   82   1HZ   LYS  11          1HZ       LYS  11 -18.428   2.364  -0.320
   83   2HZ   LYS  11          2HZ       LYS  11 -18.316   1.482   1.128
   84   3HZ   LYS  11          3HZ       LYS  11 -19.292   0.915  -0.142
   85    H    GLN  12           H        GLN  12 -12.629   1.764   2.819
   86    HA   GLN  12           HA       GLN  12 -12.254   3.870   3.843
   87   1HB   GLN  12          2HB       GLN  12  -9.938   2.820   2.497
   88   2HB   GLN  12          1HB       GLN  12  -9.897   4.581   2.409
   89   1HG   GLN  12          2HG       GLN  12 -10.457   4.560   4.915
   90   2HG   GLN  12          1HG       GLN  12 -10.045   2.845   4.877
   91   1HE2  GLN  12          1HE2      GLN  12  -8.679   6.080   4.094
   92   2HE2  GLN  12          2HE2      GLN  12  -7.064   5.627   4.351
   93    H    ASP  13           H        ASP  13 -14.063   5.012   2.854
   94    HA   ASP  13           HA       ASP  13 -15.012   6.761   1.576
   95   1HB   ASP  13          2HB       ASP  13 -12.071   7.412   1.178
   96   2HB   ASP  13          1HB       ASP  13 -13.421   8.541   1.027
   97    H    CYS  14           H        CYS  14 -13.688   7.942  -0.793
   98    HA   CYS  14           HA       CYS  14 -14.390   5.828  -2.738
   99   1HB   CYS  14          2HB       CYS  14 -13.528   8.717  -3.071
  100   2HB   CYS  14          1HB       CYS  14 -14.251   7.708  -4.320
  101    H    ASN  15           H        ASN  15 -11.808   5.791  -1.083
  102    HA   ASN  15           HA       ASN  15  -9.900   5.697  -3.399
  103   1HB   ASN  15          2HB       ASN  15  -9.249   7.517  -2.031
  104   2HB   ASN  15          1HB       ASN  15  -9.643   6.649  -0.544
  105   1HD2  ASN  15          1HD2      ASN  15  -7.336   7.219   0.099
  106   2HD2  ASN  15          2HD2      ASN  15  -6.069   6.225  -0.462
  107    H    THR  16           H        THR  16  -9.853   3.478  -3.809
  108    HA   THR  16           HA       THR  16  -9.986   1.470  -1.710
  109    HB   THR  16           HB       THR  16  -8.944   1.155  -4.535
  110    HG1  THR  16           1HG      THR  16 -11.497   1.766  -3.585
  111   1HG2  THR  16          1HG2      THR  16 -10.000  -0.594  -2.396
  112   2HG2  THR  16          2HG2      THR  16  -8.878  -0.965  -3.704
  113   3HG2  THR  16          3HG2      THR  16 -10.614  -0.931  -4.014
  114    H    CYS  17           H        CYS  17  -8.271   0.644  -0.549
  115    HA   CYS  17           HA       CYS  17  -5.596   1.787  -0.947
  116   1HB   CYS  17          2HB       CYS  17  -7.173   0.629   1.126
  117   2HB   CYS  17          1HB       CYS  17  -5.714  -0.350   0.971
  118    H    ASN  18           H        ASN  18  -7.270  -1.186  -1.739
  119    HA   ASN  18           HA       ASN  18  -6.513  -3.159  -2.809
  120   1HB   ASN  18          2HB       ASN  18  -4.857  -0.864  -3.814
  121   2HB   ASN  18          1HB       ASN  18  -4.462  -2.497  -4.353
  122   1HD2  ASN  18          1HD2      ASN  18  -5.660  -0.256  -5.957
  123   2HD2  ASN  18          2HD2      ASN  18  -7.131  -0.861  -6.551
  124    H    CYS  19           H        CYS  19  -5.786  -4.331  -0.936
  125    HA   CYS  19           HA       CYS  19  -3.456  -3.970   0.569
  126   1HB   CYS  19          2HB       CYS  19  -5.389  -5.655   0.765
  127   2HB   CYS  19          1HB       CYS  19  -4.486  -6.650  -0.376
  128    H    THR  20           H        THR  20  -1.467  -5.489   0.445
  129    HA   THR  20           HA       THR  20  -0.622  -5.890  -2.398
  130    HB   THR  20           HB       THR  20   0.197  -3.870  -0.640
  131    HG1  THR  20           1HG      THR  20   0.744  -3.348  -2.575
  132   1HG2  THR  20          1HG2      THR  20   2.582  -5.665  -0.999
  133   2HG2  THR  20          2HG2      THR  20   1.569  -5.815   0.436
  134   3HG2  THR  20          3HG2      THR  20   2.384  -4.291   0.083
  135    HA   PRO  21           HA       PRO  21   0.894  -9.780  -1.060
  136   1HB   PRO  21          2HB       PRO  21   3.393  -9.969  -2.166
  137   2HB   PRO  21          1HB       PRO  21   1.899 -10.072  -3.117
  138   1HG   PRO  21          2HG       PRO  21   3.750  -7.769  -2.748
  139   2HG   PRO  21          1HG       PRO  21   2.895  -8.309  -4.202
  140   1HD   PRO  21          2HD       PRO  21   2.072  -6.208  -2.680
  141   2HD   PRO  21          1HD       PRO  21   0.963  -7.219  -3.629
  142    H    THR  22           H        THR  22   1.177  -7.963   1.022
  143    HA   THR  22           HA       THR  22   2.987  -9.118   2.812
  144    HB   THR  22           HB       THR  22   4.824  -8.438   1.427
  145    HG1  THR  22           1HG      THR  22   5.849  -6.951   2.762
  146   1HG2  THR  22          1HG2      THR  22   5.061  -6.118   0.604
  147   2HG2  THR  22          2HG2      THR  22   3.508  -5.708   1.332
  148   3HG2  THR  22          3HG2      THR  22   3.581  -6.861   0.001
  149    H    GLY  23           H        GLY  23   0.385  -7.757   2.682
  150   1HA   GLY  23          2HA       GLY  23  -0.874  -6.118   3.805
  151   2HA   GLY  23          1HA       GLY  23   0.224  -6.484   5.137
  152    H    VAL  24           H        VAL  24  -0.532  -4.238   2.605
  153    HA   VAL  24           HA       VAL  24   1.054  -2.148   3.890
  154    HB   VAL  24           HB       VAL  24   2.172  -3.844   1.842
  155   1HG1  VAL  24          1HG1      VAL  24   1.235  -2.192   0.237
  156   2HG1  VAL  24          2HG1      VAL  24   2.999  -2.145   0.272
  157   3HG1  VAL  24          3HG1      VAL  24   2.067  -0.901   1.105
  158   1HG2  VAL  24          1HG2      VAL  24   2.986  -1.844   3.819
  159   2HG2  VAL  24          2HG2      VAL  24   3.997  -1.831   2.373
  160   3HG2  VAL  24          3HG2      VAL  24   3.809  -3.317   3.305
  161    H    TRP  25           H        TRP  25  -0.830  -3.231   1.084
  162    HA   TRP  25           HA       TRP  25  -2.517  -2.128  -0.142
  163   1HB   TRP  25          2HB       TRP  25  -2.394  -0.194   2.190
  164   2HB   TRP  25          1HB       TRP  25  -3.771  -0.490   1.130
  165    HD1  TRP  25           HD       TRP  25  -1.752  -2.096   3.950
  166    HE1  TRP  25           1HE      TRP  25  -3.146  -4.003   4.982
  167    HE3  TRP  25           3HE      TRP  25  -5.667  -2.198   0.675
  168    HZ2  TRP  25           2HZ      TRP  25  -5.597  -5.388   4.484
  169    HZ3  TRP  25           3HZ      TRP  25  -7.515  -3.821   0.975
  170    HH2  TRP  25           HH       TRP  25  -7.485  -5.416   2.873
  171    H    ALA  26           H        ALA  26  -3.039   0.171  -1.065
  172    HA   ALA  26           HA       ALA  26  -0.506   1.722  -1.489
  173   1HB   ALA  26          1HB       ALA  26  -2.542   0.627  -3.444
  174   2HB   ALA  26          2HB       ALA  26  -0.802   0.338  -3.416
  175   3HB   ALA  26          3HB       ALA  26  -1.426   1.920  -3.886
  176    H    CYS  27           H        CYS  27  -4.028   1.762  -2.114
  177    HA   CYS  27           HA       CYS  27  -5.612   3.478  -1.820
  178   1HB   CYS  27          2HB       CYS  27  -3.516   3.774   0.212
  179   2HB   CYS  27          1HB       CYS  27  -4.364   5.283  -0.126
  180    H    THR  28           H        THR  28  -6.052   5.045  -3.310
  181    HA   THR  28           HA       THR  28  -3.813   6.468  -4.629
  182    HB   THR  28           HB       THR  28  -6.680   6.914  -5.322
  183    HG1  THR  28           1HG      THR  28  -7.055   4.859  -5.293
  184   1HG2  THR  28          1HG2      THR  28  -5.528   7.702  -7.096
  185   2HG2  THR  28          2HG2      THR  28  -5.257   6.014  -7.529
  186   3HG2  THR  28          3HG2      THR  28  -4.047   6.889  -6.592
  187    H    ARG  29           H        ARG  29  -5.016   7.062  -1.805
  188    HA   ARG  29           HA       ARG  29  -5.400   9.007  -0.521
  189   1HB   ARG  29          2HB       ARG  29  -4.359  10.361  -3.029
  190   2HB   ARG  29          1HB       ARG  29  -4.289  10.985  -1.380
  191   1HG   ARG  29          2HG       ARG  29  -2.978   8.381  -2.192
  192   2HG   ARG  29          1HG       ARG  29  -2.135   9.930  -2.246
  193   1HD   ARG  29          2HD       ARG  29  -1.599   9.486  -0.069
  194   2HD   ARG  29          1HD       ARG  29  -3.274   9.954   0.282
  195    HE   ARG  29           HE       ARG  29  -3.841   7.491  -0.133
  196   1HH1  ARG  29          1HH2      ARG  29  -0.553   7.732  -0.418
  197   2HH1  ARG  29          2HH2      ARG  29  -0.161   6.597   0.830
  198   1HH2  ARG  29          1HH1      ARG  29  -3.411   6.375   2.017
  199   2HH2  ARG  29          2HH1      ARG  29  -1.779   5.829   2.208
  200    H    LYS  30           H        LYS  30  -6.965  10.766  -0.326
  201    HA   LYS  30           HA       LYS  30  -9.166  11.577  -0.702
  202   1HB   LYS  30          2HB       LYS  30  -7.717  12.997  -2.096
  203   2HB   LYS  30          1HB       LYS  30  -7.835  11.840  -3.420
  204   1HG   LYS  30          2HG       LYS  30  -9.429  13.587  -3.875
  205   2HG   LYS  30          1HG       LYS  30 -10.348  12.174  -3.354
  206   1HD   LYS  30          2HD       LYS  30 -11.286  13.474  -1.772
  207   2HD   LYS  30          1HD       LYS  30  -9.709  13.529  -0.983
  208   1HE   LYS  30          2HE       LYS  30  -9.998  15.386  -3.271
  209   2HE   LYS  30          1HE       LYS  30 -11.018  15.758  -1.866
  210   1HZ   LYS  30          1HZ       LYS  30  -8.693  16.665  -1.758
  211   2HZ   LYS  30          2HZ       LYS  30  -8.144  15.062  -1.639
  212   3HZ   LYS  30          3HZ       LYS  30  -9.155  15.707  -0.436
  213    H    GLY  31           H        GLY  31  -9.093  10.639  -4.056
  214   1HA   GLY  31          2HA       GLY  31  -9.915   8.551  -5.004
  215   2HA   GLY  31          1HA       GLY  31 -10.709   8.211  -3.463
  216    H    CYS  32           H        CYS  32 -12.097  10.570  -2.999
  217    HA   CYS  32           HA       CYS  32 -14.168  10.399  -5.122
  218   1HB   CYS  32          2HB       CYS  32 -14.080  10.611  -2.298
  219   2HB   CYS  32          1HB       CYS  32 -14.794  12.117  -2.884
  220    HA   PRO  33           HA       PRO  33 -12.426  14.316  -6.521
  221   1HB   PRO  33          2HB       PRO  33 -13.594  14.230  -8.990
  222   2HB   PRO  33          1HB       PRO  33 -12.109  13.343  -8.596
  223   1HG   PRO  33          2HG       PRO  33 -14.896  12.356  -8.833
  224   2HG   PRO  33          1HG       PRO  33 -13.374  11.559  -9.250
  225   1HD   PRO  33          2HD       PRO  33 -14.838  11.053  -6.969
  226   2HD   PRO  33          1HD       PRO  33 -13.105  10.711  -7.157
  227    HA   PRO  34           HA       PRO  34 -15.965  16.823  -5.755
  228   1HB   PRO  34          2HB       PRO  34 -15.206  19.141  -6.991
  229   2HB   PRO  34          1HB       PRO  34 -14.488  18.581  -5.466
  230   1HG   PRO  34          2HG       PRO  34 -13.415  18.428  -8.232
  231   2HG   PRO  34          1HG       PRO  34 -12.568  18.710  -6.703
  232   1HD   PRO  34          2HD       PRO  34 -12.610  16.304  -8.032
  233   2HD   PRO  34          1HD       PRO  34 -12.322  16.483  -6.287
  234    H    HIS  35           H        HIS  35 -14.841  16.324  -9.033
  235    HA   HIS  35           HA       HIS  35 -17.111  17.548 -10.373
  236   1HB   HIS  35          2HB       HIS  35 -14.974  17.298 -11.475
  237   2HB   HIS  35          1HB       HIS  35 -14.961  15.562 -11.166
  238    HD1  HIS  35           1HD      HIS  35 -14.770  15.321 -13.837
  239    HD2  HIS  35           2HD      HIS  35 -18.375  16.865 -12.425
  240    HE1  HIS  35           1HE      HIS  35 -16.422  15.141 -15.747
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1   6.296  -9.507  11.639
    2   2H    GLU   1          2HT       GLU   1   6.333  -7.850  12.016
    3   3H    GLU   1          3HT       GLU   1   7.765  -8.765  12.051
    4    HA   GLU   1           HA       GLU   1   7.218  -7.247   9.999
    5   1HB   GLU   1          2HB       GLU   1   8.954  -9.230  10.679
    6   2HB   GLU   1          1HB       GLU   1   8.163  -9.968   9.286
    7   1HG   GLU   1          2HG       GLU   1   9.815  -8.792   8.186
    8   2HG   GLU   1          1HG       GLU   1   8.573  -7.540   8.245
    9    H    GLN   2           H        GLN   2   4.657  -7.547  10.088
   10    HA   GLN   2           HA       GLN   2   3.859  -8.772   7.579
   11   1HB   GLN   2          2HB       GLN   2   4.165 -10.551   9.604
   12   2HB   GLN   2          1HB       GLN   2   2.491 -10.067   9.881
   13   1HG   GLN   2          2HG       GLN   2   1.861 -11.437   8.212
   14   2HG   GLN   2          1HG       GLN   2   2.767 -10.427   7.085
   15   1HE2  GLN   2          1HE2      GLN   2   5.012 -11.078   6.588
   16   2HE2  GLN   2          2HE2      GLN   2   5.539 -12.663   6.890
   17    H    GLU   3           H        GLU   3   2.216  -7.443   6.894
   18    HA   GLU   3           HA       GLU   3   0.531  -6.098   8.982
   19   1HB   GLU   3          2HB       GLU   3   0.668  -5.095   6.173
   20   2HB   GLU   3          1HB       GLU   3   0.620  -4.189   7.682
   21   1HG   GLU   3          2HG       GLU   3   3.019  -5.671   6.561
   22   2HG   GLU   3          1HG       GLU   3   2.813  -3.921   6.626
   23    H    CYS   4           H        CYS   4   0.476  -7.696   5.804
   24    HA   CYS   4           HA       CYS   4  -2.042  -8.974   6.236
   25   1HB   CYS   4          2HB       CYS   4  -3.559  -7.544   5.094
   26   2HB   CYS   4          1HB       CYS   4  -2.603  -6.439   6.080
   27    H    THR   5           H        THR   5  -2.666 -10.248   4.392
   28    HA   THR   5           HA       THR   5  -1.431  -9.964   1.795
   29    HB   THR   5           HB       THR   5  -0.490 -12.461   3.112
   30    HG1  THR   5           1HG      THR   5   1.222 -10.354   3.460
   31   1HG2  THR   5          1HG2      THR   5   1.594 -11.280   1.762
   32   2HG2  THR   5          2HG2      THR   5   0.190 -10.698   0.868
   33   3HG2  THR   5          3HG2      THR   5   0.455 -12.431   1.060
   34    HA   PRO   6           HA       PRO   6  -4.906 -13.036   2.167
   35   1HB   PRO   6          2HB       PRO   6  -7.130 -11.454   2.159
   36   2HB   PRO   6          1HB       PRO   6  -6.279 -11.898   3.650
   37   1HG   PRO   6          2HG       PRO   6  -6.434  -9.315   2.319
   38   2HG   PRO   6          1HG       PRO   6  -5.896  -9.703   3.956
   39   1HD   PRO   6          2HD       PRO   6  -4.298  -9.184   1.589
   40   2HD   PRO   6          1HD       PRO   6  -3.781  -9.358   3.274
   41    H    GLY   7           H        GLY   7  -5.802  -9.967   0.563
   42   1HA   GLY   7          2HA       GLY   7  -5.334  -9.913  -1.962
   43   2HA   GLY   7          1HA       GLY   7  -6.142 -11.487  -1.988
   44    H    GLN   8           H        GLN   8  -7.024  -8.605  -0.093
   45    HA   GLN   8           HA       GLN   8  -9.687  -8.650  -1.476
   46   1HB   GLN   8          2HB       GLN   8  -9.075  -7.460   1.232
   47   2HB   GLN   8          1HB       GLN   8 -10.627  -8.028   0.610
   48   1HG   GLN   8          2HG       GLN   8  -8.774 -10.212   0.536
   49   2HG   GLN   8          1HG       GLN   8  -8.710  -9.480   2.139
   50   1HE2  GLN   8          1HE2      GLN   8  -9.824 -11.567   2.843
   51   2HE2  GLN   8          2HE2      GLN   8 -11.510 -11.672   2.677
   52    H    THR   9           H        THR   9 -10.275  -6.088  -0.025
   53    HA   THR   9           HA       THR   9  -8.442  -4.143  -1.315
   54    HB   THR   9           HB       THR   9 -10.232  -4.901  -2.947
   55    HG1  THR   9           1HG      THR   9  -9.607  -2.968  -3.525
   56   1HG2  THR   9          1HG2      THR   9 -12.339  -3.283  -1.846
   57   2HG2  THR   9          2HG2      THR   9 -11.866  -4.506  -0.667
   58   3HG2  THR   9          3HG2      THR   9 -12.375  -4.991  -2.284
   59    H    LYS  10           H        LYS  10 -10.599  -2.076  -1.000
   60    HA   LYS  10           HA       LYS  10 -11.451  -2.040   1.769
   61   1HB   LYS  10          2HB       LYS  10  -8.724  -1.389   1.132
   62   2HB   LYS  10          1HB       LYS  10  -9.533   0.064   1.723
   63   1HG   LYS  10          2HG       LYS  10 -10.248  -1.078   3.734
   64   2HG   LYS  10          1HG       LYS  10  -9.646  -2.618   3.123
   65   1HD   LYS  10          2HD       LYS  10  -7.354  -1.376   2.961
   66   2HD   LYS  10          1HD       LYS  10  -8.086  -0.233   4.088
   67   1HE   LYS  10          2HE       LYS  10  -8.501  -3.055   4.840
   68   2HE   LYS  10          1HE       LYS  10  -6.803  -2.541   4.860
   69   1HZ   LYS  10          1HZ       LYS  10  -7.783  -1.953   6.949
   70   2HZ   LYS  10          2HZ       LYS  10  -9.093  -1.185   6.183
   71   3HZ   LYS  10          3HZ       LYS  10  -7.530  -0.525   6.069
   72    H    LYS  11           H        LYS  11 -13.390  -1.100   1.072
   73    HA   LYS  11           HA       LYS  11 -13.609   0.983  -0.886
   74   1HB   LYS  11          2HB       LYS  11 -15.248  -0.634   0.778
   75   2HB   LYS  11          1HB       LYS  11 -15.719   1.041   1.072
   76   1HG   LYS  11          2HG       LYS  11 -15.695   1.282  -1.511
   77   2HG   LYS  11          1HG       LYS  11 -15.730  -0.482  -1.531
   78   1HD   LYS  11          2HD       LYS  11 -17.774  -0.455  -0.141
   79   2HD   LYS  11          1HD       LYS  11 -17.746   1.309  -0.144
   80   1HE   LYS  11          2HE       LYS  11 -18.442   1.452  -2.346
   81   2HE   LYS  11          1HE       LYS  11 -17.656  -0.074  -2.799
   82   1HZ   LYS  11          1HZ       LYS  11 -19.840  -0.729  -2.670
   83   2HZ   LYS  11          2HZ       LYS  11 -20.217   0.358  -1.419
   84   3HZ   LYS  11          3HZ       LYS  11 -19.329  -1.053  -1.086
   85    H    GLN  12           H        GLN  12 -13.780   1.146   2.700
   86    HA   GLN  12           HA       GLN  12 -13.607   3.047   4.121
   87   1HB   GLN  12          2HB       GLN  12 -11.299   2.448   2.770
   88   2HB   GLN  12          1HB       GLN  12 -11.508   4.147   2.350
   89   1HG   GLN  12          2HG       GLN  12 -12.060   4.238   5.008
   90   2HG   GLN  12          1HG       GLN  12 -10.892   2.915   4.972
   91   1HE2  GLN  12          1HE2      GLN  12 -10.748   5.955   5.775
   92   2HE2  GLN  12          2HE2      GLN  12  -9.333   6.480   5.000
   93    H    ASP  13           H        ASP  13 -12.534   5.647   3.114
   94    HA   ASP  13           HA       ASP  13 -14.998   6.948   2.446
   95   1HB   ASP  13          2HB       ASP  13 -12.617   7.716   3.394
   96   2HB   ASP  13          1HB       ASP  13 -12.335   8.097   1.692
   97    H    CYS  14           H        CYS  14 -13.405   8.499   0.215
   98    HA   CYS  14           HA       CYS  14 -14.547   6.936  -2.018
   99   1HB   CYS  14          2HB       CYS  14 -13.451   9.680  -1.520
  100   2HB   CYS  14          1HB       CYS  14 -13.522   9.097  -3.182
  101    H    ASN  15           H        ASN  15 -11.933   6.263  -0.430
  102    HA   ASN  15           HA       ASN  15 -10.145   6.084  -2.831
  103   1HB   ASN  15          2HB       ASN  15  -9.429   6.188   0.117
  104   2HB   ASN  15          1HB       ASN  15  -8.300   6.261  -1.240
  105   1HD2  ASN  15          1HD2      ASN  15  -8.783   8.163  -2.839
  106   2HD2  ASN  15          2HD2      ASN  15  -9.270   9.639  -2.135
  107    H    THR  16           H        THR  16  -9.961   3.990  -3.533
  108    HA   THR  16           HA       THR  16 -10.627   1.759  -1.688
  109    HB   THR  16           HB       THR  16  -9.864   1.401  -4.558
  110    HG1  THR  16           1HG      THR  16 -11.556   2.466  -5.291
  111   1HG2  THR  16          1HG2      THR  16 -11.503   0.104  -2.503
  112   2HG2  THR  16          2HG2      THR  16 -10.761  -0.584  -3.948
  113   3HG2  THR  16          3HG2      THR  16 -12.320   0.233  -4.061
  114    H    CYS  17           H        CYS  17  -9.055   0.350  -0.913
  115    HA   CYS  17           HA       CYS  17  -6.252   0.774  -1.904
  116   1HB   CYS  17          2HB       CYS  17  -7.290  -0.152   0.795
  117   2HB   CYS  17          1HB       CYS  17  -5.603   0.166   0.389
  118    H    ASN  18           H        ASN  18  -4.939  -1.379  -1.082
  119    HA   ASN  18           HA       ASN  18  -6.436  -3.877  -1.432
  120   1HB   ASN  18          2HB       ASN  18  -6.397  -3.232  -3.720
  121   2HB   ASN  18          1HB       ASN  18  -4.744  -2.629  -3.603
  122   1HD2  ASN  18          1HD2      ASN  18  -6.569  -5.287  -4.619
  123   2HD2  ASN  18          2HD2      ASN  18  -5.331  -6.447  -4.646
  124    H    CYS  19           H        CYS  19  -5.376  -5.201  -0.012
  125    HA   CYS  19           HA       CYS  19  -2.822  -4.743   1.131
  126   1HB   CYS  19          2HB       CYS  19  -4.570  -6.207   2.058
  127   2HB   CYS  19          1HB       CYS  19  -4.386  -7.310   0.699
  128    H    THR  20           H        THR  20  -0.849  -6.213   0.842
  129    HA   THR  20           HA       THR  20  -0.573  -7.156  -1.999
  130    HB   THR  20           HB       THR  20   1.903  -6.097  -1.175
  131    HG1  THR  20           1HG      THR  20   0.963  -4.954   0.462
  132   1HG2  THR  20          1HG2      THR  20   1.219  -5.909  -3.431
  133   2HG2  THR  20          2HG2      THR  20   1.197  -4.251  -2.833
  134   3HG2  THR  20          3HG2      THR  20  -0.311  -5.152  -2.991
  135    HA   PRO  21           HA       PRO  21   1.628 -10.574  -0.329
  136   1HB   PRO  21          2HB       PRO  21   3.889 -10.788  -1.849
  137   2HB   PRO  21          1HB       PRO  21   2.271 -11.174  -2.468
  138   1HG   PRO  21          2HG       PRO  21   3.933  -8.752  -2.896
  139   2HG   PRO  21          1HG       PRO  21   2.831  -9.579  -4.007
  140   1HD   PRO  21          2HD       PRO  21   2.225  -7.265  -2.648
  141   2HD   PRO  21          1HD       PRO  21   1.018  -8.411  -3.271
  142    H    THR  22           H        THR  22   2.041  -8.440   1.324
  143    HA   THR  22           HA       THR  22   4.356  -9.029   2.811
  144    HB   THR  22           HB       THR  22   5.758  -8.351   1.032
  145    HG1  THR  22           1HG      THR  22   6.814  -6.869   2.074
  146   1HG2  THR  22          1HG2      THR  22   3.519  -6.506   0.470
  147   2HG2  THR  22          2HG2      THR  22   4.592  -7.347  -0.647
  148   3HG2  THR  22          3HG2      THR  22   5.123  -5.857   0.130
  149    H    GLY  23           H        GLY  23   1.542  -7.946   2.957
  150   1HA   GLY  23          2HA       GLY  23   0.329  -6.484   4.307
  151   2HA   GLY  23          1HA       GLY  23   1.796  -6.339   5.259
  152    H    VAL  24           H        VAL  24   0.253  -5.071   2.307
  153    HA   VAL  24           HA       VAL  24   1.163  -2.363   3.034
  154    HB   VAL  24           HB       VAL  24   1.877  -3.156   0.258
  155   1HG1  VAL  24          1HG1      VAL  24   3.530  -1.508   0.520
  156   2HG1  VAL  24          2HG1      VAL  24   3.558  -1.686   2.275
  157   3HG1  VAL  24          3HG1      VAL  24   2.191  -0.894   1.491
  158   1HG2  VAL  24          1HG2      VAL  24   2.696  -5.097   1.615
  159   2HG2  VAL  24          2HG2      VAL  24   3.612  -3.968   2.613
  160   3HG2  VAL  24          3HG2      VAL  24   4.009  -4.158   0.906
  161    H    TRP  25           H        TRP  25   0.024  -0.732   1.784
  162    HA   TRP  25           HA       TRP  25  -2.162  -1.775   0.021
  163   1HB   TRP  25          2HB       TRP  25  -2.339   0.135   2.373
  164   2HB   TRP  25          1HB       TRP  25  -3.651  -0.112   1.221
  165    HD1  TRP  25           HD       TRP  25  -1.552  -2.066   3.795
  166    HE1  TRP  25           1HE      TRP  25  -2.948  -4.059   4.635
  167    HE3  TRP  25           3HE      TRP  25  -5.630  -1.653   0.740
  168    HZ2  TRP  25           2HZ      TRP  25  -5.452  -5.326   4.079
  169    HZ3  TRP  25           3HZ      TRP  25  -7.498  -3.271   0.911
  170    HH2  TRP  25           HH       TRP  25  -7.416  -5.112   2.574
  171    H    ALA  26           H        ALA  26  -2.954  -0.135  -1.500
  172    HA   ALA  26           HA       ALA  26  -0.871   1.896  -2.147
  173   1HB   ALA  26          1HB       ALA  26  -1.908   1.836  -4.346
  174   2HB   ALA  26          2HB       ALA  26  -3.282   0.930  -3.712
  175   3HB   ALA  26          3HB       ALA  26  -1.689   0.176  -3.791
  176    H    CYS  27           H        CYS  27  -4.444   1.678  -2.000
  177    HA   CYS  27           HA       CYS  27  -6.050   3.335  -1.525
  178   1HB   CYS  27          2HB       CYS  27  -3.602   4.389  -0.075
  179   2HB   CYS  27          1HB       CYS  27  -5.228   5.032   0.148
  180    H    THR  28           H        THR  28  -6.577   4.418  -3.412
  181    HA   THR  28           HA       THR  28  -4.903   5.882  -5.121
  182    HB   THR  28           HB       THR  28  -7.681   6.854  -4.598
  183    HG1  THR  28           1HG      THR  28  -8.366   4.886  -4.458
  184   1HG2  THR  28          1HG2      THR  28  -5.921   6.202  -6.937
  185   2HG2  THR  28          2HG2      THR  28  -6.841   7.670  -6.607
  186   3HG2  THR  28          3HG2      THR  28  -7.671   6.213  -7.154
  187    H    ARG  29           H        ARG  29  -7.043   7.304  -2.606
  188    HA   ARG  29           HA       ARG  29  -6.808   9.307  -1.369
  189   1HB   ARG  29          2HB       ARG  29  -4.677   7.982  -0.866
  190   2HB   ARG  29          1HB       ARG  29  -3.879   8.990  -2.075
  191   1HG   ARG  29          2HG       ARG  29  -3.883  10.833  -0.731
  192   2HG   ARG  29          1HG       ARG  29  -5.473  10.463  -0.062
  193   1HD   ARG  29          2HD       ARG  29  -4.295   8.524   1.188
  194   2HD   ARG  29          1HD       ARG  29  -2.786   9.367   0.785
  195    HE   ARG  29           HE       ARG  29  -3.990  11.433   1.820
  196   1HH1  ARG  29          1HH2      ARG  29  -6.117   9.117   2.487
  197   2HH1  ARG  29          2HH2      ARG  29  -5.895   9.064   4.204
  198   1HH2  ARG  29          1HH1      ARG  29  -2.992  10.960   4.150
  199   2HH2  ARG  29          2HH1      ARG  29  -4.126  10.110   5.147
  200    H    LYS  30           H        LYS  30  -7.732  10.964  -2.585
  201    HA   LYS  30           HA       LYS  30  -6.033  12.836  -3.966
  202   1HB   LYS  30          2HB       LYS  30  -7.137  12.320  -6.255
  203   2HB   LYS  30          1HB       LYS  30  -5.870  11.228  -5.699
  204   1HG   LYS  30          2HG       LYS  30  -7.555   9.663  -4.846
  205   2HG   LYS  30          1HG       LYS  30  -8.844  10.768  -5.323
  206   1HD   LYS  30          2HD       LYS  30  -6.852   9.492  -7.221
  207   2HD   LYS  30          1HD       LYS  30  -8.523   8.970  -6.998
  208   1HE   LYS  30          2HE       LYS  30  -9.107  10.475  -8.593
  209   2HE   LYS  30          1HE       LYS  30  -8.651  11.759  -7.456
  210   1HZ   LYS  30          1HZ       LYS  30  -6.556  11.923  -8.323
  211   2HZ   LYS  30          2HZ       LYS  30  -7.408  11.505  -9.733
  212   3HZ   LYS  30          3HZ       LYS  30  -6.530  10.323  -8.885
  213    H    GLY  31           H        GLY  31  -9.324  11.510  -3.649
  214   1HA   GLY  31          2HA       GLY  31 -10.454  13.967  -2.754
  215   2HA   GLY  31          1HA       GLY  31 -10.749  13.829  -4.491
  216    H    CYS  32           H        CYS  32 -13.060  13.732  -3.785
  217    HA   CYS  32           HA       CYS  32 -13.918  10.921  -3.531
  218   1HB   CYS  32          2HB       CYS  32 -13.536  11.569  -1.213
  219   2HB   CYS  32          1HB       CYS  32 -14.460  13.058  -1.445
  220    HA   PRO  33           HA       PRO  33 -16.785  13.197  -6.161
  221   1HB   PRO  33          2HB       PRO  33 -17.770  10.974  -7.417
  222   2HB   PRO  33          1HB       PRO  33 -16.236  11.742  -7.872
  223   1HG   PRO  33          2HG       PRO  33 -16.721   9.301  -6.249
  224   2HG   PRO  33          1HG       PRO  33 -15.434   9.648  -7.412
  225   1HD   PRO  33          2HD       PRO  33 -15.120   9.764  -4.690
  226   2HD   PRO  33          1HD       PRO  33 -14.123  10.672  -5.848
  227    HA   PRO  34           HA       PRO  34 -20.567  12.549  -4.030
  228   1HB   PRO  34          2HB       PRO  34 -22.462  12.808  -5.985
  229   2HB   PRO  34          1HB       PRO  34 -21.516  14.177  -5.370
  230   1HG   PRO  34          2HG       PRO  34 -21.190  12.630  -7.883
  231   2HG   PRO  34          1HG       PRO  34 -20.942  14.355  -7.576
  232   1HD   PRO  34          2HD       PRO  34 -18.918  12.502  -7.768
  233   2HD   PRO  34          1HD       PRO  34 -18.786  14.051  -6.907
  234    H    HIS  35           H        HIS  35 -19.713  10.386  -6.572
  235    HA   HIS  35           HA       HIS  35 -21.919   8.595  -6.638
  236   1HB   HIS  35          2HB       HIS  35 -19.950   8.618  -8.158
  237   2HB   HIS  35          1HB       HIS  35 -18.940   8.038  -6.834
  238    HD1  HIS  35           1HD      HIS  35 -22.431   6.857  -7.777
  239    HD2  HIS  35           2HD      HIS  35 -18.537   5.385  -7.570
  240    HE1  HIS  35           1HE      HIS  35 -22.580   4.374  -8.249
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1   6.207  -4.711   6.268
    2   2H    GLU   1          2HT       GLU   1   6.722  -5.862   7.407
    3   3H    GLU   1          3HT       GLU   1   6.955  -4.205   7.702
    4    HA   GLU   1           HA       GLU   1   5.101  -4.572   8.989
    5   1HB   GLU   1          2HB       GLU   1   4.917  -3.164   6.619
    6   2HB   GLU   1          1HB       GLU   1   3.495  -4.206   6.549
    7   1HG   GLU   1          2HG       GLU   1   2.765  -2.254   7.691
    8   2HG   GLU   1          1HG       GLU   1   3.026  -3.450   8.961
    9    H    GLN   2           H        GLN   2   2.879  -5.654   9.145
   10    HA   GLN   2           HA       GLN   2   2.525  -8.066   7.473
   11   1HB   GLN   2          2HB       GLN   2   4.153  -8.662   9.260
   12   2HB   GLN   2          1HB       GLN   2   2.976  -8.159  10.475
   13   1HG   GLN   2          2HG       GLN   2   1.419  -9.839   9.075
   14   2HG   GLN   2          1HG       GLN   2   2.984 -10.576   8.731
   15   1HE2  GLN   2          1HE2      GLN   2   0.737 -11.555  10.523
   16   2HE2  GLN   2          2HE2      GLN   2   1.461 -11.791  12.039
   17    H    GLU   3           H        GLU   3   0.344  -8.208   7.124
   18    HA   GLU   3           HA       GLU   3  -1.618  -8.016   9.211
   19   1HB   GLU   3          2HB       GLU   3  -2.575  -5.794   8.368
   20   2HB   GLU   3          1HB       GLU   3  -1.061  -5.689   9.267
   21   1HG   GLU   3          2HG       GLU   3   0.127  -5.815   7.004
   22   2HG   GLU   3          1HG       GLU   3  -1.455  -5.539   6.274
   23    H    CYS   4           H        CYS   4  -0.842  -7.749   5.782
   24    HA   CYS   4           HA       CYS   4  -3.198  -9.424   5.119
   25   1HB   CYS   4          2HB       CYS   4  -3.951  -7.066   5.063
   26   2HB   CYS   4          1HB       CYS   4  -2.632  -6.671   3.960
   27    H    THR   5           H        THR   5  -3.058 -10.012   2.693
   28    HA   THR   5           HA       THR   5  -0.436  -9.722   1.437
   29    HB   THR   5           HB       THR   5  -0.879 -12.546   1.802
   30    HG1  THR   5           1HG      THR   5  -1.921 -11.859   3.711
   31   1HG2  THR   5          1HG2      THR   5   1.317 -12.061   1.374
   32   2HG2  THR   5          2HG2      THR   5   1.399 -11.989   3.133
   33   3HG2  THR   5          3HG2      THR   5   1.236 -10.503   2.197
   34    HA   PRO   6           HA       PRO   6  -3.162 -12.358  -1.410
   35   1HB   PRO   6          2HB       PRO   6  -5.491 -13.436  -0.483
   36   2HB   PRO   6          1HB       PRO   6  -3.921 -14.246  -0.330
   37   1HG   PRO   6          2HG       PRO   6  -5.500 -12.787   1.704
   38   2HG   PRO   6          1HG       PRO   6  -4.435 -14.186   1.887
   39   1HD   PRO   6          2HD       PRO   6  -3.784 -11.581   2.541
   40   2HD   PRO   6          1HD       PRO   6  -2.619 -12.888   2.267
   41    H    GLY   7           H        GLY   7  -3.742  -9.538  -0.299
   42   1HA   GLY   7          2HA       GLY   7  -5.144  -7.770  -0.907
   43   2HA   GLY   7          1HA       GLY   7  -5.758  -8.815  -2.187
   44    H    GLN   8           H        GLN   8  -6.357  -7.562   0.998
   45    HA   GLN   8           HA       GLN   8  -8.716  -9.309   1.402
   46   1HB   GLN   8          2HB       GLN   8  -7.143  -7.296   2.977
   47   2HB   GLN   8          1HB       GLN   8  -8.789  -7.677   3.490
   48   1HG   GLN   8          2HG       GLN   8  -7.488 -10.141   2.895
   49   2HG   GLN   8          1HG       GLN   8  -6.400  -9.202   3.917
   50   1HE2  GLN   8          1HE2      GLN   8 -10.003  -9.516   3.832
   51   2HE2  GLN   8          2HE2      GLN   8 -10.149  -9.901   5.479
   52    H    THR   9           H        THR   9  -7.995  -6.457  -0.179
   53    HA   THR   9           HA       THR   9  -9.299  -4.710  -1.006
   54    HB   THR   9           HB       THR   9 -11.356  -5.479  -1.930
   55    HG1  THR   9           1HG      THR   9 -12.193  -7.536  -1.004
   56   1HG2  THR   9          1HG2      THR   9 -10.405  -7.094  -3.180
   57   2HG2  THR   9          2HG2      THR   9 -10.275  -8.182  -1.798
   58   3HG2  THR   9          3HG2      THR   9  -9.018  -6.981  -2.096
   59    H    LYS  10           H        LYS  10  -9.518  -3.025   0.439
   60    HA   LYS  10           HA       LYS  10 -11.232  -3.318   2.837
   61   1HB   LYS  10          2HB       LYS  10  -9.533  -1.058   1.722
   62   2HB   LYS  10          1HB       LYS  10 -10.306  -1.047   3.307
   63   1HG   LYS  10          2HG       LYS  10  -8.828  -3.494   2.987
   64   2HG   LYS  10          1HG       LYS  10  -7.774  -2.124   2.635
   65   1HD   LYS  10          2HD       LYS  10  -8.050  -1.193   4.766
   66   2HD   LYS  10          1HD       LYS  10  -9.558  -2.063   5.057
   67   1HE   LYS  10          2HE       LYS  10  -8.317  -3.579   6.208
   68   2HE   LYS  10          1HE       LYS  10  -7.639  -4.078   4.644
   69   1HZ   LYS  10          1HZ       LYS  10  -5.756  -3.380   5.735
   70   2HZ   LYS  10          2HZ       LYS  10  -6.567  -2.167   6.605
   71   3HZ   LYS  10          3HZ       LYS  10  -6.216  -1.943   4.958
   72    H    LYS  11           H        LYS  11 -12.479  -0.980   3.158
   73    HA   LYS  11           HA       LYS  11 -14.134  -0.638   0.680
   74   1HB   LYS  11          2HB       LYS  11 -16.030  -0.569   2.064
   75   2HB   LYS  11          1HB       LYS  11 -15.018  -1.760   2.877
   76   1HG   LYS  11          2HG       LYS  11 -14.238  -0.092   4.465
   77   2HG   LYS  11          1HG       LYS  11 -15.097   1.183   3.599
   78   1HD   LYS  11          2HD       LYS  11 -17.229  -0.173   4.013
   79   2HD   LYS  11          1HD       LYS  11 -16.277  -1.126   5.152
   80   1HE   LYS  11          2HE       LYS  11 -16.342   1.891   5.341
   81   2HE   LYS  11          1HE       LYS  11 -17.586   0.892   6.119
   82   1HZ   LYS  11          1HZ       LYS  11 -16.117   0.574   7.750
   83   2HZ   LYS  11          2HZ       LYS  11 -14.845   1.261   6.858
   84   3HZ   LYS  11          3HZ       LYS  11 -15.227  -0.385   6.670
   85    H    GLN  12           H        GLN  12 -12.667   0.975   3.478
   86    HA   GLN  12           HA       GLN  12 -12.396   3.298   3.938
   87   1HB   GLN  12          2HB       GLN  12 -10.811   2.312   2.018
   88   2HB   GLN  12          1HB       GLN  12 -11.656   3.523   1.051
   89   1HG   GLN  12          2HG       GLN  12  -9.825   4.725   1.899
   90   2HG   GLN  12          1HG       GLN  12 -11.119   5.135   3.025
   91   1HE2  GLN  12          1HE2      GLN  12  -8.839   2.339   2.706
   92   2HE2  GLN  12          2HE2      GLN  12  -8.364   2.360   4.336
   93    H    ASP  13           H        ASP  13 -12.497   5.246   1.606
   94    HA   ASP  13           HA       ASP  13 -15.478   5.459   1.361
   95   1HB   ASP  13          2HB       ASP  13 -14.884   8.009   1.508
   96   2HB   ASP  13          1HB       ASP  13 -14.913   7.054   2.992
   97    H    CYS  14           H        CYS  14 -13.489   7.987   0.080
   98    HA   CYS  14           HA       CYS  14 -14.350   7.346  -2.646
   99   1HB   CYS  14          2HB       CYS  14 -12.430   9.480  -1.681
  100   2HB   CYS  14          1HB       CYS  14 -13.434   9.514  -3.129
  101    H    ASN  15           H        ASN  15 -11.793   6.285  -0.745
  102    HA   ASN  15           HA       ASN  15 -10.141   5.737  -3.186
  103   1HB   ASN  15          2HB       ASN  15  -9.142   6.351  -0.387
  104   2HB   ASN  15          1HB       ASN  15  -8.166   6.200  -1.853
  105   1HD2  ASN  15          1HD2      ASN  15  -9.057   8.557   0.130
  106   2HD2  ASN  15          2HD2      ASN  15  -9.393   9.819  -0.968
  107    H    THR  16           H        THR  16 -10.062   3.550  -3.490
  108    HA   THR  16           HA       THR  16 -10.713   1.686  -1.308
  109    HB   THR  16           HB       THR  16  -9.787   1.181  -4.156
  110    HG1  THR  16           1HG      THR  16 -12.409   1.497  -3.122
  111   1HG2  THR  16          1HG2      THR  16  -9.789  -0.756  -2.565
  112   2HG2  THR  16          2HG2      THR  16 -10.924  -0.947  -3.902
  113   3HG2  THR  16          3HG2      THR  16 -11.512  -0.485  -2.305
  114    H    CYS  17           H        CYS  17  -9.209   0.315  -0.280
  115    HA   CYS  17           HA       CYS  17  -6.341   0.998  -0.718
  116   1HB   CYS  17          2HB       CYS  17  -8.095   0.138   1.491
  117   2HB   CYS  17          1HB       CYS  17  -6.513  -0.642   1.484
  118    H    ASN  18           H        ASN  18  -5.207  -0.377  -2.017
  119    HA   ASN  18           HA       ASN  18  -6.183  -3.146  -2.453
  120   1HB   ASN  18          2HB       ASN  18  -4.167  -1.286  -3.716
  121   2HB   ASN  18          1HB       ASN  18  -4.211  -2.997  -4.141
  122   1HD2  ASN  18          1HD2      ASN  18  -6.669  -3.757  -4.574
  123   2HD2  ASN  18          2HD2      ASN  18  -7.555  -2.719  -5.583
  124    H    CYS  19           H        CYS  19  -5.242  -4.856  -1.405
  125    HA   CYS  19           HA       CYS  19  -2.830  -4.353   0.256
  126   1HB   CYS  19          2HB       CYS  19  -4.543  -5.331   1.492
  127   2HB   CYS  19          1HB       CYS  19  -5.120  -6.287   0.136
  128    H    THR  20           H        THR  20  -0.872  -5.355  -0.180
  129    HA   THR  20           HA       THR  20  -0.701  -6.945  -2.709
  130    HB   THR  20           HB       THR  20   1.823  -6.175  -1.541
  131    HG1  THR  20           1HG      THR  20   1.125  -3.811  -1.894
  132   1HG2  THR  20          1HG2      THR  20   0.432  -4.861  -3.871
  133   2HG2  THR  20          2HG2      THR  20   1.061  -6.503  -3.987
  134   3HG2  THR  20          3HG2      THR  20   2.156  -5.163  -3.652
  135    HA   PRO  21           HA       PRO  21   0.801 -10.513  -0.580
  136   1HB   PRO  21          2HB       PRO  21   3.306 -11.067  -1.523
  137   2HB   PRO  21          1HB       PRO  21   1.837 -11.299  -2.491
  138   1HG   PRO  21          2HG       PRO  21   3.845  -9.116  -2.588
  139   2HG   PRO  21          1HG       PRO  21   2.922  -9.864  -3.900
  140   1HD   PRO  21          2HD       PRO  21   2.339  -7.429  -2.771
  141   2HD   PRO  21          1HD       PRO  21   1.165  -8.441  -3.636
  142    H    THR  22           H        THR  22   1.209  -8.184   0.969
  143    HA   THR  22           HA       THR  22   3.003  -9.049   3.003
  144    HB   THR  22           HB       THR  22   4.691  -8.519   1.273
  145    HG1  THR  22           1HG      THR  22   5.365  -8.067   3.315
  146   1HG2  THR  22          1HG2      THR  22   2.922  -6.514   0.560
  147   2HG2  THR  22          2HG2      THR  22   4.567  -6.692  -0.051
  148   3HG2  THR  22          3HG2      THR  22   4.244  -5.627   1.317
  149    H    GLY  23           H        GLY  23   0.348  -7.739   2.485
  150   1HA   GLY  23          2HA       GLY  23  -0.997  -6.057   3.393
  151   2HA   GLY  23          1HA       GLY  23   0.142  -6.079   4.739
  152    H    VAL  24           H        VAL  24   0.091  -3.822   5.008
  153    HA   VAL  24           HA       VAL  24   1.152  -1.717   4.748
  154    HB   VAL  24           HB       VAL  24   2.056  -2.670   2.021
  155   1HG1  VAL  24          1HG1      VAL  24   3.071  -0.672   4.053
  156   2HG1  VAL  24          2HG1      VAL  24   2.463  -0.338   2.431
  157   3HG1  VAL  24          3HG1      VAL  24   4.000  -1.177   2.641
  158   1HG2  VAL  24          1HG2      VAL  24   2.579  -4.086   4.331
  159   2HG2  VAL  24          2HG2      VAL  24   3.930  -2.959   4.284
  160   3HG2  VAL  24          3HG2      VAL  24   3.640  -4.042   2.924
  161    H    TRP  25           H        TRP  25  -0.733  -3.118   2.094
  162    HA   TRP  25           HA       TRP  25  -2.262  -2.099   0.601
  163   1HB   TRP  25          2HB       TRP  25  -2.550  -0.399   3.101
  164   2HB   TRP  25          1HB       TRP  25  -3.749  -0.529   1.815
  165    HD1  TRP  25           HD       TRP  25  -2.128  -2.552   4.625
  166    HE1  TRP  25           1HE      TRP  25  -3.620  -4.590   5.142
  167    HE3  TRP  25           3HE      TRP  25  -5.543  -2.129   0.849
  168    HZ2  TRP  25           2HZ      TRP  25  -5.952  -5.871   4.094
  169    HZ3  TRP  25           3HZ      TRP  25  -7.388  -3.772   0.631
  170    HH2  TRP  25           HH       TRP  25  -7.596  -5.639   2.249
  171    H    ALA  26           H        ALA  26  -3.037   0.410   0.062
  172    HA   ALA  26           HA       ALA  26  -0.731   2.260  -0.017
  173   1HB   ALA  26          1HB       ALA  26  -0.469   0.553  -1.870
  174   2HB   ALA  26          2HB       ALA  26  -0.594   2.218  -2.442
  175   3HB   ALA  26          3HB       ALA  26  -1.988   1.143  -2.543
  176    H    CYS  27           H        CYS  27  -3.845   1.604  -1.659
  177    HA   CYS  27           HA       CYS  27  -5.765   2.951  -1.886
  178   1HB   CYS  27          2HB       CYS  27  -4.487   3.565   0.655
  179   2HB   CYS  27          1HB       CYS  27  -5.342   4.969   0.017
  180    H    THR  28           H        THR  28  -5.942   4.303  -3.625
  181    HA   THR  28           HA       THR  28  -3.780   6.134  -4.359
  182    HB   THR  28           HB       THR  28  -5.861   6.677  -6.033
  183    HG1  THR  28           1HG      THR  28  -7.098   4.843  -6.222
  184   1HG2  THR  28          1HG2      THR  28  -3.724   4.607  -5.948
  185   2HG2  THR  28          2HG2      THR  28  -3.997   5.895  -7.121
  186   3HG2  THR  28          3HG2      THR  28  -4.965   4.422  -7.189
  187    H    ARG  29           H        ARG  29  -4.810   8.435  -5.178
  188    HA   ARG  29           HA       ARG  29  -6.720   9.538  -3.215
  189   1HB   ARG  29          2HB       ARG  29  -5.031  11.192  -2.417
  190   2HB   ARG  29          1HB       ARG  29  -4.571   9.535  -2.030
  191   1HG   ARG  29          2HG       ARG  29  -3.562  10.108  -4.630
  192   2HG   ARG  29          1HG       ARG  29  -3.128  11.461  -3.586
  193   1HD   ARG  29          2HD       ARG  29  -2.576   8.526  -3.010
  194   2HD   ARG  29          1HD       ARG  29  -1.372   9.758  -3.441
  195    HE   ARG  29           HE       ARG  29  -2.816  10.795  -1.255
  196   1HH1  ARG  29          1HH1      ARG  29   0.068   9.336  -1.929
  197   2HH1  ARG  29          2HH1      ARG  29   0.316   8.642  -0.361
  198   1HH2  ARG  29          1HH2      ARG  29  -2.887   9.366   0.754
  199   2HH2  ARG  29          2HH2      ARG  29  -1.359   8.656   1.157
  200    H    LYS  30           H        LYS  30  -8.026  10.354  -4.871
  201    HA   LYS  30           HA       LYS  30  -6.733  12.330  -6.722
  202   1HB   LYS  30          2HB       LYS  30  -8.490  10.002  -7.135
  203   2HB   LYS  30          1HB       LYS  30  -9.020  11.453  -7.986
  204   1HG   LYS  30          2HG       LYS  30  -7.158  11.510  -9.338
  205   2HG   LYS  30          1HG       LYS  30  -6.116  10.790  -8.111
  206   1HD   LYS  30          2HD       LYS  30  -6.443   9.179  -9.910
  207   2HD   LYS  30          1HD       LYS  30  -7.286   8.607  -8.469
  208   1HE   LYS  30          2HE       LYS  30  -8.866   8.316 -10.230
  209   2HE   LYS  30          1HE       LYS  30  -9.361   9.837  -9.458
  210   1HZ   LYS  30          1HZ       LYS  30  -9.102   9.973 -11.927
  211   2HZ   LYS  30          2HZ       LYS  30  -7.439   9.696 -11.715
  212   3HZ   LYS  30          3HZ       LYS  30  -8.162  11.087 -11.061
  213    H    GLY  31           H        GLY  31  -9.170  11.734  -4.352
  214   1HA   GLY  31          2HA       GLY  31  -9.918  14.212  -3.648
  215   2HA   GLY  31          1HA       GLY  31 -10.792  14.068  -5.177
  216    H    CYS  32           H        CYS  32 -11.847  14.264  -2.394
  217    HA   CYS  32           HA       CYS  32 -13.668  11.913  -2.550
  218   1HB   CYS  32          2HB       CYS  32 -11.767  11.328  -1.073
  219   2HB   CYS  32          1HB       CYS  32 -12.093  12.764  -0.097
  220    HA   PRO  33           HA       PRO  33 -16.137  15.600  -1.718
  221   1HB   PRO  33          2HB       PRO  33 -18.485  14.500  -2.584
  222   2HB   PRO  33          1HB       PRO  33 -17.274  15.182  -3.686
  223   1HG   PRO  33          2HG       PRO  33 -17.828  12.340  -3.004
  224   2HG   PRO  33          1HG       PRO  33 -17.371  13.062  -4.554
  225   1HD   PRO  33          2HD       PRO  33 -15.630  11.722  -2.922
  226   2HD   PRO  33          1HD       PRO  33 -15.137  12.978  -4.080
  227    HA   PRO  34           HA       PRO  34 -17.983  14.455   2.104
  228   1HB   PRO  34          2HB       PRO  34 -20.167  16.098   2.215
  229   2HB   PRO  34          1HB       PRO  34 -18.505  16.688   2.410
  230   1HG   PRO  34          2HG       PRO  34 -20.288  16.812   0.034
  231   2HG   PRO  34          1HG       PRO  34 -19.127  18.003   0.639
  232   1HD   PRO  34          2HD       PRO  34 -18.639  16.332  -1.474
  233   2HD   PRO  34          1HD       PRO  34 -17.369  17.028  -0.444
  234    H    HIS  35           H        HIS  35 -18.568  12.346   0.716
  235    HA   HIS  35           HA       HIS  35 -20.166  10.639   0.356
  236   1HB   HIS  35          2HB       HIS  35 -21.937  12.442   2.031
  237   2HB   HIS  35          1HB       HIS  35 -22.006  10.684   1.906
  238    HD1  HIS  35           1HD      HIS  35 -21.398  12.504   4.550
  239    HD2  HIS  35           2HD      HIS  35 -18.666  10.256   2.344
  240    HE1  HIS  35           1HE      HIS  35 -19.458  12.009   6.102
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1   1.176  -8.293  14.333
    2   2H    GLU   1          2HT       GLU   1   0.659  -7.661  12.844
    3   3H    GLU   1          3HT       GLU   1   2.316  -7.886  13.144
    4    HA   GLU   1           HA       GLU   1   2.106  -9.841  12.088
    5   1HB   GLU   1          2HB       GLU   1   0.635 -10.261  14.705
    6   2HB   GLU   1          1HB       GLU   1   1.117 -11.591  13.651
    7   1HG   GLU   1          2HG       GLU   1   2.936  -9.576  14.998
    8   2HG   GLU   1          1HG       GLU   1   2.852 -11.311  15.309
    9    H    GLN   2           H        GLN   2   0.135  -8.099  11.070
   10    HA   GLN   2           HA       GLN   2  -1.669  -9.868   9.778
   11   1HB   GLN   2          2HB       GLN   2  -2.302  -9.229  12.501
   12   2HB   GLN   2          1HB       GLN   2  -3.529  -8.506  11.460
   13   1HG   GLN   2          2HG       GLN   2  -4.194 -10.564  10.586
   14   2HG   GLN   2          1HG       GLN   2  -2.655 -11.337  10.969
   15   1HE2  GLN   2          1HE2      GLN   2  -4.307 -12.979  11.971
   16   2HE2  GLN   2          2HE2      GLN   2  -4.751 -12.707  13.586
   17    H    GLU   3           H        GLU   3  -0.753  -8.222   8.221
   18    HA   GLU   3           HA       GLU   3  -2.418  -5.726   8.219
   19   1HB   GLU   3          2HB       GLU   3  -0.367  -4.840   6.896
   20   2HB   GLU   3          1HB       GLU   3  -0.179  -5.058   8.635
   21   1HG   GLU   3          2HG       GLU   3   1.010  -7.105   8.353
   22   2HG   GLU   3          1HG       GLU   3   0.552  -7.219   6.653
   23    H    CYS   4           H        CYS   4  -2.636  -8.532   6.973
   24    HA   CYS   4           HA       CYS   4  -3.764  -9.246   5.007
   25   1HB   CYS   4          2HB       CYS   4  -4.225  -6.654   4.901
   26   2HB   CYS   4          1HB       CYS   4  -3.009  -6.701   3.618
   27    H    THR   5           H        THR   5  -3.099  -9.503   2.549
   28    HA   THR   5           HA       THR   5  -0.283  -9.344   1.906
   29    HB   THR   5           HB       THR   5  -0.764 -12.162   2.118
   30    HG1  THR   5           1HG      THR   5  -2.054 -12.077   3.786
   31   1HG2  THR   5          1HG2      THR   5   1.176 -11.943   3.737
   32   2HG2  THR   5          2HG2      THR   5   1.064 -10.198   3.506
   33   3HG2  THR   5          3HG2      THR   5   1.449 -11.245   2.140
   34    HA   PRO   6           HA       PRO   6  -2.441 -12.270  -1.290
   35   1HB   PRO   6          2HB       PRO   6  -5.155 -12.604  -0.989
   36   2HB   PRO   6          1HB       PRO   6  -3.935 -13.717  -0.334
   37   1HG   PRO   6          2HG       PRO   6  -5.366 -11.474   1.034
   38   2HG   PRO   6          1HG       PRO   6  -5.073 -13.129   1.601
   39   1HD   PRO   6          2HD       PRO   6  -3.558 -11.135   2.468
   40   2HD   PRO   6          1HD       PRO   6  -2.830 -12.707   2.086
   41    H    GLY   7           H        GLY   7  -4.937  -9.860  -0.180
   42   1HA   GLY   7          2HA       GLY   7  -4.717  -7.719  -1.647
   43   2HA   GLY   7          1HA       GLY   7  -4.892  -8.851  -2.987
   44    H    GLN   8           H        GLN   8  -6.599  -8.699   0.155
   45    HA   GLN   8           HA       GLN   8  -9.135  -9.420  -0.938
   46   1HB   GLN   8          2HB       GLN   8  -8.011  -8.326   1.591
   47   2HB   GLN   8          1HB       GLN   8  -9.752  -8.126   1.360
   48   1HG   GLN   8          2HG       GLN   8  -9.807 -10.227   2.266
   49   2HG   GLN   8          1HG       GLN   8  -9.504 -10.697   0.593
   50   1HE2  GLN   8          1HE2      GLN   8  -8.365 -12.648   1.435
   51   2HE2  GLN   8          2HE2      GLN   8  -6.781 -12.509   2.031
   52    H    THR   9           H        THR   9  -9.250  -6.433   0.833
   53    HA   THR   9           HA       THR   9  -9.302  -4.481  -1.204
   54    HB   THR   9           HB       THR   9 -11.649  -6.309  -1.042
   55    HG1  THR   9           1HG      THR   9 -10.026  -5.721  -2.822
   56   1HG2  THR   9          1HG2      THR   9 -12.682  -4.282  -0.156
   57   2HG2  THR   9          2HG2      THR   9 -13.205  -4.522  -1.823
   58   3HG2  THR   9          3HG2      THR   9 -11.968  -3.321  -1.450
   59    H    LYS  10           H        LYS  10 -10.060  -2.440  -0.346
   60    HA   LYS  10           HA       LYS  10 -11.122  -2.522   2.451
   61   1HB   LYS  10          2HB       LYS  10  -8.485  -2.076   1.760
   62   2HB   LYS  10          1HB       LYS  10  -9.125  -0.437   1.888
   63   1HG   LYS  10          2HG       LYS  10 -10.115  -1.107   4.122
   64   2HG   LYS  10          1HG       LYS  10  -9.192  -2.606   4.000
   65   1HD   LYS  10          2HD       LYS  10  -7.102  -1.284   3.797
   66   2HD   LYS  10          1HD       LYS  10  -8.040   0.198   3.980
   67   1HE   LYS  10          2HE       LYS  10  -7.035  -0.517   6.146
   68   2HE   LYS  10          1HE       LYS  10  -8.808  -0.568   6.214
   69   1HZ   LYS  10          1HZ       LYS  10  -7.513  -2.643   6.959
   70   2HZ   LYS  10          2HZ       LYS  10  -7.262  -2.912   5.300
   71   3HZ   LYS  10          3HZ       LYS  10  -8.841  -2.855   5.925
   72    H    LYS  11           H        LYS  11 -12.777  -1.075   2.723
   73    HA   LYS  11           HA       LYS  11 -13.382   0.823   0.516
   74   1HB   LYS  11          2HB       LYS  11 -15.008  -0.858   1.559
   75   2HB   LYS  11          1HB       LYS  11 -14.984   0.160   3.000
   76   1HG   LYS  11          2HG       LYS  11 -15.409   2.020   1.034
   77   2HG   LYS  11          1HG       LYS  11 -16.281   0.626   0.393
   78   1HD   LYS  11          2HD       LYS  11 -17.686   0.483   2.292
   79   2HD   LYS  11          1HD       LYS  11 -16.622   1.503   3.261
   80   1HE   LYS  11          2HE       LYS  11 -17.174   3.250   1.279
   81   2HE   LYS  11          1HE       LYS  11 -18.668   2.291   1.245
   82   1HZ   LYS  11          1HZ       LYS  11 -17.437   3.388   3.717
   83   2HZ   LYS  11          2HZ       LYS  11 -18.928   2.582   3.594
   84   3HZ   LYS  11          3HZ       LYS  11 -18.729   4.117   2.895
   85    H    GLN  12           H        GLN  12 -11.165   1.705   1.891
   86    HA   GLN  12           HA       GLN  12 -11.655   3.298   4.217
   87   1HB   GLN  12          2HB       GLN  12  -9.606   3.042   2.065
   88   2HB   GLN  12          1HB       GLN  12  -9.557   4.507   3.046
   89   1HG   GLN  12          2HG       GLN  12  -9.962   2.106   4.663
   90   2HG   GLN  12          1HG       GLN  12  -8.458   2.049   3.743
   91   1HE2  GLN  12          1HE2      GLN  12  -6.882   2.651   5.270
   92   2HE2  GLN  12          2HE2      GLN  12  -6.949   4.069   6.199
   93    H    ASP  13           H        ASP  13 -13.390   4.732   4.078
   94    HA   ASP  13           HA       ASP  13 -14.727   6.503   3.241
   95   1HB   ASP  13          2HB       ASP  13 -12.712   7.529   4.264
   96   2HB   ASP  13          1HB       ASP  13 -11.898   7.465   2.698
   97    H    CYS  14           H        CYS  14 -12.496   7.704   0.934
   98    HA   CYS  14           HA       CYS  14 -14.131   6.489  -1.269
   99   1HB   CYS  14          2HB       CYS  14 -12.758   9.169  -0.920
  100   2HB   CYS  14          1HB       CYS  14 -13.414   8.623  -2.462
  101    H    ASN  15           H        ASN  15 -11.035   6.567   0.120
  102    HA   ASN  15           HA       ASN  15  -9.695   5.941  -2.480
  103   1HB   ASN  15          2HB       ASN  15  -8.628   6.669   0.269
  104   2HB   ASN  15          1HB       ASN  15  -7.640   6.438  -1.179
  105   1HD2  ASN  15          1HD2      ASN  15  -8.446   8.931   0.580
  106   2HD2  ASN  15          2HD2      ASN  15  -8.883  10.087  -0.596
  107    H    THR  16           H        THR  16 -10.130   3.713  -2.738
  108    HA   THR  16           HA       THR  16 -10.186   1.747  -0.681
  109    HB   THR  16           HB       THR  16  -9.249   1.401  -3.544
  110    HG1  THR  16           1HG      THR  16 -11.179   1.916  -4.160
  111   1HG2  THR  16          1HG2      THR  16  -9.532  -0.450  -1.552
  112   2HG2  THR  16          2HG2      THR  16  -9.703  -0.809  -3.270
  113   3HG2  THR  16          3HG2      THR  16 -11.134  -0.491  -2.289
  114    H    CYS  17           H        CYS  17  -8.528   0.440   0.194
  115    HA   CYS  17           HA       CYS  17  -5.784   1.516  -0.061
  116   1HB   CYS  17          2HB       CYS  17  -7.414   0.321   1.930
  117   2HB   CYS  17          1HB       CYS  17  -6.066  -0.783   1.656
  118    H    ASN  18           H        ASN  18  -7.644  -1.343  -0.948
  119    HA   ASN  18           HA       ASN  18  -7.053  -3.217  -2.263
  120   1HB   ASN  18          2HB       ASN  18  -6.442  -1.383  -3.797
  121   2HB   ASN  18          1HB       ASN  18  -4.854  -1.268  -3.039
  122   1HD2  ASN  18          1HD2      ASN  18  -6.375  -2.580  -5.703
  123   2HD2  ASN  18          2HD2      ASN  18  -5.328  -3.880  -6.006
  124    H    CYS  19           H        CYS  19  -6.284  -4.958  -1.112
  125    HA   CYS  19           HA       CYS  19  -3.987  -4.772   0.648
  126   1HB   CYS  19          2HB       CYS  19  -5.925  -6.148   1.110
  127   2HB   CYS  19          1HB       CYS  19  -5.740  -7.004  -0.411
  128    H    THR  20           H        THR  20  -1.883  -5.629   0.273
  129    HA   THR  20           HA       THR  20  -1.347  -6.548  -2.541
  130    HB   THR  20           HB       THR  20   0.977  -5.372  -1.537
  131    HG1  THR  20           1HG      THR  20   0.394  -3.889  -0.190
  132   1HG2  THR  20          1HG2      THR  20  -0.071  -3.367  -2.979
  133   2HG2  THR  20          2HG2      THR  20  -1.199  -4.644  -3.434
  134   3HG2  THR  20          3HG2      THR  20   0.528  -4.847  -3.727
  135    HA   PRO  21           HA       PRO  21   0.909  -9.981  -0.991
  136   1HB   PRO  21          2HB       PRO  21   3.278  -9.899  -2.364
  137   2HB   PRO  21          1HB       PRO  21   1.737 -10.358  -3.117
  138   1HG   PRO  21          2HG       PRO  21   3.168  -7.741  -3.183
  139   2HG   PRO  21          1HG       PRO  21   2.323  -8.595  -4.484
  140   1HD   PRO  21          2HD       PRO  21   1.221  -6.513  -3.158
  141   2HD   PRO  21          1HD       PRO  21   0.252  -7.854  -3.809
  142    H    THR  22           H        THR  22   1.043  -8.021   0.877
  143    HA   THR  22           HA       THR  22   3.207  -8.555   2.537
  144    HB   THR  22           HB       THR  22   4.802  -7.755   0.985
  145    HG1  THR  22           1HG      THR  22   5.118  -6.687   2.916
  146   1HG2  THR  22          1HG2      THR  22   2.609  -5.876   0.232
  147   2HG2  THR  22          2HG2      THR  22   3.690  -6.813  -0.801
  148   3HG2  THR  22          3HG2      THR  22   4.267  -5.337  -0.028
  149    H    GLY  23           H        GLY  23   0.406  -7.735   2.587
  150   1HA   GLY  23          2HA       GLY  23  -1.036  -6.199   3.620
  151   2HA   GLY  23          1HA       GLY  23   0.213  -6.186   4.864
  152    H    VAL  24           H        VAL  24  -0.641  -3.876   5.025
  153    HA   VAL  24           HA       VAL  24  -0.007  -1.599   4.859
  154    HB   VAL  24           HB       VAL  24   1.787  -2.408   2.567
  155   1HG1  VAL  24          1HG1      VAL  24   1.287  -0.018   4.010
  156   2HG1  VAL  24          2HG1      VAL  24   2.534  -0.301   2.795
  157   3HG1  VAL  24          3HG1      VAL  24   2.884  -0.584   4.502
  158   1HG2  VAL  24          1HG2      VAL  24   1.834  -3.408   5.277
  159   2HG2  VAL  24          2HG2      VAL  24   3.251  -2.396   4.994
  160   3HG2  VAL  24          3HG2      VAL  24   2.931  -3.779   3.948
  161    H    TRP  25           H        TRP  25  -1.297  -3.496   2.329
  162    HA   TRP  25           HA       TRP  25  -2.471  -2.928   0.345
  163   1HB   TRP  25          2HB       TRP  25  -3.337  -0.698   2.207
  164   2HB   TRP  25          1HB       TRP  25  -4.294  -1.452   0.934
  165    HD1  TRP  25           HD       TRP  25  -2.431  -2.597   4.139
  166    HE1  TRP  25           1HE      TRP  25  -3.847  -4.430   5.269
  167    HE3  TRP  25           3HE      TRP  25  -6.270  -2.929   0.791
  168    HZ2  TRP  25           2HZ      TRP  25  -6.292  -5.849   4.812
  169    HZ3  TRP  25           3HZ      TRP  25  -8.125  -4.526   1.162
  170    HH2  TRP  25           HH       TRP  25  -8.145  -5.987   3.165
  171    H    ALA  26           H        ALA  26  -3.362  -0.183  -0.250
  172    HA   ALA  26           HA       ALA  26  -0.767   1.151  -0.928
  173   1HB   ALA  26          1HB       ALA  26  -3.135   0.557  -2.737
  174   2HB   ALA  26          2HB       ALA  26  -1.540  -0.191  -2.835
  175   3HB   ALA  26          3HB       ALA  26  -1.736   1.523  -3.203
  176    H    CYS  27           H        CYS  27  -4.313   1.575  -1.242
  177    HA   CYS  27           HA       CYS  27  -5.676   3.433  -0.733
  178   1HB   CYS  27          2HB       CYS  27  -3.521   3.227   1.263
  179   2HB   CYS  27          1HB       CYS  27  -4.243   4.832   1.163
  180    H    THR  28           H        THR  28  -5.588   4.665  -2.642
  181    HA   THR  28           HA       THR  28  -3.396   6.709  -2.803
  182    HB   THR  28           HB       THR  28  -3.527   4.857  -4.543
  183    HG1  THR  28           1HG      THR  28  -2.657   7.023  -4.891
  184   1HG2  THR  28          1HG2      THR  28  -5.313   4.951  -6.182
  185   2HG2  THR  28          2HG2      THR  28  -6.007   6.372  -5.400
  186   3HG2  THR  28          3HG2      THR  28  -6.034   4.812  -4.578
  187    H    ARG  29           H        ARG  29  -4.064   8.848  -2.893
  188    HA   ARG  29           HA       ARG  29  -6.958   9.395  -2.621
  189   1HB   ARG  29          2HB       ARG  29  -4.357  10.836  -2.216
  190   2HB   ARG  29          1HB       ARG  29  -5.835  11.784  -2.382
  191   1HG   ARG  29          2HG       ARG  29  -6.722  11.009  -0.405
  192   2HG   ARG  29          1HG       ARG  29  -5.915   9.446  -0.535
  193   1HD   ARG  29          2HD       ARG  29  -3.734  10.579  -0.030
  194   2HD   ARG  29          1HD       ARG  29  -4.630  12.085   0.249
  195    HE   ARG  29           HE       ARG  29  -5.888  10.015   1.748
  196   1HH1  ARG  29          1HH2      ARG  29  -2.594  10.552   1.652
  197   2HH1  ARG  29          2HH2      ARG  29  -2.432  11.000   3.317
  198   1HH2  ARG  29          1HH1      ARG  29  -5.850  11.133   3.891
  199   2HH2  ARG  29          2HH1      ARG  29  -4.274  11.327   4.586
  200    H    LYS  30           H        LYS  30  -8.190  10.176  -4.293
  201    HA   LYS  30           HA       LYS  30  -7.124  11.848  -6.413
  202   1HB   LYS  30          2HB       LYS  30  -6.136   9.838  -7.217
  203   2HB   LYS  30          1HB       LYS  30  -7.567   8.885  -6.824
  204   1HG   LYS  30          2HG       LYS  30  -8.555   9.376  -8.795
  205   2HG   LYS  30          1HG       LYS  30  -8.171  11.091  -8.643
  206   1HD   LYS  30          2HD       LYS  30  -6.333  10.910  -9.951
  207   2HD   LYS  30          1HD       LYS  30  -5.814   9.423  -9.160
  208   1HE   LYS  30          2HE       LYS  30  -7.215   8.071 -10.543
  209   2HE   LYS  30          1HE       LYS  30  -8.118   9.484 -11.127
  210   1HZ   LYS  30          1HZ       LYS  30  -6.226   8.586 -12.588
  211   2HZ   LYS  30          2HZ       LYS  30  -5.189   9.312 -11.455
  212   3HZ   LYS  30          3HZ       LYS  30  -6.302  10.259 -12.322
  213    H    GLY  31           H        GLY  31  -9.687   9.543  -5.489
  214   1HA   GLY  31          2HA       GLY  31 -11.680  11.124  -7.004
  215   2HA   GLY  31          1HA       GLY  31 -11.983   9.582  -6.195
  216    H    CYS  32           H        CYS  32 -13.899  11.205  -5.584
  217    HA   CYS  32           HA       CYS  32 -14.962  12.442  -3.872
  218   1HB   CYS  32          2HB       CYS  32 -13.258  10.381  -2.832
  219   2HB   CYS  32          1HB       CYS  32 -13.240  11.742  -1.711
  220    HA   PRO  33           HA       PRO  33 -12.592  16.005  -2.796
  221   1HB   PRO  33          2HB       PRO  33 -13.510  16.672  -0.308
  222   2HB   PRO  33          1HB       PRO  33 -14.512  16.782  -1.769
  223   1HG   PRO  33          2HG       PRO  33 -14.658  14.881   0.446
  224   2HG   PRO  33          1HG       PRO  33 -15.874  15.293  -0.767
  225   1HD   PRO  33          2HD       PRO  33 -14.140  13.003  -0.687
  226   2HD   PRO  33          1HD       PRO  33 -15.398  13.387  -1.881
  227    HA   PRO  34           HA       PRO  34  -9.073  14.607  -0.456
  228   1HB   PRO  34          2HB       PRO  34  -7.493  16.792  -0.912
  229   2HB   PRO  34          1HB       PRO  34  -7.776  15.534  -2.132
  230   1HG   PRO  34          2HG       PRO  34  -8.965  18.241  -1.896
  231   2HG   PRO  34          1HG       PRO  34  -8.538  17.315  -3.341
  232   1HD   PRO  34          2HD       PRO  34 -11.098  17.599  -2.357
  233   2HD   PRO  34          1HD       PRO  34 -10.561  16.283  -3.424
  234    H    HIS  35           H        HIS  35  -8.574  18.039  -0.023
  235    HA   HIS  35           HA       HIS  35  -9.418  17.771   2.846
  236   1HB   HIS  35          2HB       HIS  35  -7.097  19.144   1.479
  237   2HB   HIS  35          1HB       HIS  35  -7.561  19.534   3.135
  238    HD1  HIS  35           1HD      HIS  35  -7.902  17.161   4.652
  239    HD2  HIS  35           2HD      HIS  35  -5.245  17.103   1.440
  240    HE1  HIS  35           1HE      HIS  35  -6.354  15.194   5.037
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1   2.239 -10.698  12.727
    2   2H    GLU   1          2HT       GLU   1   1.901 -12.317  12.338
    3   3H    GLU   1          3HT       GLU   1   1.045 -11.060  11.577
    4    HA   GLU   1           HA       GLU   1   3.536 -10.372  10.915
    5   1HB   GLU   1          2HB       GLU   1   3.675 -12.905  12.139
    6   2HB   GLU   1          1HB       GLU   1   3.856 -13.212  10.411
    7   1HG   GLU   1          2HG       GLU   1   5.960 -12.421  10.462
    8   2HG   GLU   1          1HG       GLU   1   5.383 -10.881  11.099
    9    H    GLN   2           H        GLN   2   0.928 -10.155   9.922
   10    HA   GLN   2           HA       GLN   2   1.258 -10.686   7.133
   11   1HB   GLN   2          2HB       GLN   2   0.805 -12.978   8.540
   12   2HB   GLN   2          1HB       GLN   2  -0.849 -12.512   8.144
   13   1HG   GLN   2          2HG       GLN   2  -0.162 -12.279   5.752
   14   2HG   GLN   2          1HG       GLN   2   1.435 -12.891   6.187
   15   1HE2  GLN   2          1HE2      GLN   2   0.903 -14.756   4.693
   16   2HE2  GLN   2          2HE2      GLN   2  -0.054 -16.027   5.282
   17    H    GLU   3           H        GLU   3   0.366  -8.433   8.463
   18    HA   GLU   3           HA       GLU   3  -2.361  -8.071   8.987
   19   1HB   GLU   3          2HB       GLU   3  -1.897  -5.725   8.224
   20   2HB   GLU   3          1HB       GLU   3  -0.639  -6.362   9.283
   21   1HG   GLU   3          2HG       GLU   3   0.575  -7.087   7.139
   22   2HG   GLU   3          1HG       GLU   3  -0.562  -6.047   6.282
   23    H    CYS   4           H        CYS   4  -0.789  -8.680   5.932
   24    HA   CYS   4           HA       CYS   4  -3.286  -9.192   4.583
   25   1HB   CYS   4          2HB       CYS   4  -3.799  -7.077   3.975
   26   2HB   CYS   4          1HB       CYS   4  -2.341  -6.480   4.761
   27    H    THR   5           H        THR   5  -2.872  -9.737   2.244
   28    HA   THR   5           HA       THR   5  -0.125  -9.993   1.312
   29    HB   THR   5           HB       THR   5  -1.181 -12.683   1.606
   30    HG1  THR   5           1HG      THR   5  -1.197 -12.787   3.798
   31   1HG2  THR   5          1HG2      THR   5   1.033 -13.103   2.485
   32   2HG2  THR   5          2HG2      THR   5   1.288 -11.382   2.770
   33   3HG2  THR   5          3HG2      THR   5   1.181 -11.996   1.121
   34    HA   PRO   6           HA       PRO   6  -2.999 -12.355  -1.746
   35   1HB   PRO   6          2HB       PRO   6  -5.671 -12.464  -1.110
   36   2HB   PRO   6          1HB       PRO   6  -4.503 -13.732  -0.684
   37   1HG   PRO   6          2HG       PRO   6  -5.543 -11.483   0.989
   38   2HG   PRO   6          1HG       PRO   6  -5.318 -13.190   1.415
   39   1HD   PRO   6          2HD       PRO   6  -3.552 -11.343   2.177
   40   2HD   PRO   6          1HD       PRO   6  -3.022 -12.962   1.679
   41    H    GLY   7           H        GLY   7  -4.490  -9.591  -0.015
   42   1HA   GLY   7          2HA       GLY   7  -4.487  -7.433  -1.253
   43   2HA   GLY   7          1HA       GLY   7  -4.878  -8.352  -2.709
   44    H    GLN   8           H        GLN   8  -6.262  -8.290   0.599
   45    HA   GLN   8           HA       GLN   8  -8.948  -8.750  -0.250
   46   1HB   GLN   8          2HB       GLN   8  -7.846  -7.302   2.184
   47   2HB   GLN   8          1HB       GLN   8  -9.464  -7.998   2.050
   48   1HG   GLN   8          2HG       GLN   8  -8.290 -10.220   1.525
   49   2HG   GLN   8          1HG       GLN   8  -6.810  -9.445   2.092
   50   1HE2  GLN   8          1HE2      GLN   8  -6.624  -8.967   4.375
   51   2HE2  GLN   8          2HE2      GLN   8  -7.734  -9.563   5.512
   52    H    THR   9           H        THR   9  -9.982  -6.352   1.339
   53    HA   THR   9           HA       THR   9  -9.338  -3.972  -0.187
   54    HB   THR   9           HB       THR   9 -11.673  -5.733  -0.936
   55    HG1  THR   9           1HG      THR   9  -9.347  -5.119  -2.002
   56   1HG2  THR   9          1HG2      THR   9 -11.495  -2.760  -0.974
   57   2HG2  THR   9          2HG2      THR   9 -12.909  -3.800  -0.812
   58   3HG2  THR   9          3HG2      THR   9 -12.181  -3.545  -2.397
   59    H    LYS  10           H        LYS  10  -9.335  -3.095   1.967
   60    HA   LYS  10           HA       LYS  10 -11.741  -3.233   3.640
   61   1HB   LYS  10          2HB       LYS  10 -10.340  -1.689   5.062
   62   2HB   LYS  10          1HB       LYS  10  -9.519  -3.190   4.632
   63   1HG   LYS  10          2HG       LYS  10  -8.186  -2.119   2.983
   64   2HG   LYS  10          1HG       LYS  10  -9.207  -0.682   2.977
   65   1HD   LYS  10          2HD       LYS  10  -7.329  -0.031   4.248
   66   2HD   LYS  10          1HD       LYS  10  -8.533  -0.449   5.468
   67   1HE   LYS  10          2HE       LYS  10  -7.054  -2.816   4.679
   68   2HE   LYS  10          1HE       LYS  10  -5.950  -1.545   5.237
   69   1HZ   LYS  10          1HZ       LYS  10  -6.802  -2.791   7.118
   70   2HZ   LYS  10          2HZ       LYS  10  -8.401  -2.472   6.641
   71   3HZ   LYS  10          3HZ       LYS  10  -7.397  -1.203   7.159
   72    H    LYS  11           H        LYS  11 -13.393  -1.728   3.621
   73    HA   LYS  11           HA       LYS  11 -13.294   0.432   1.620
   74   1HB   LYS  11          2HB       LYS  11 -15.214  -1.260   2.445
   75   2HB   LYS  11          1HB       LYS  11 -15.553   0.083   3.537
   76   1HG   LYS  11          2HG       LYS  11 -15.236   0.425   0.545
   77   2HG   LYS  11          1HG       LYS  11 -16.797   0.174   1.329
   78   1HD   LYS  11          2HD       LYS  11 -15.696   2.182   2.862
   79   2HD   LYS  11          1HD       LYS  11 -15.110   2.582   1.248
   80   1HE   LYS  11          2HE       LYS  11 -17.155   3.380   0.696
   81   2HE   LYS  11          1HE       LYS  11 -17.878   1.801   1.062
   82   1HZ   LYS  11          1HZ       LYS  11 -17.467   4.107   2.846
   83   2HZ   LYS  11          2HZ       LYS  11 -17.486   2.539   3.500
   84   3HZ   LYS  11          3HZ       LYS  11 -18.840   3.130   2.662
   85    H    GLN  12           H        GLN  12 -13.301   2.632   2.100
   86    HA   GLN  12           HA       GLN  12 -13.429   3.546   4.917
   87   1HB   GLN  12          2HB       GLN  12 -11.002   3.224   3.267
   88   2HB   GLN  12          1HB       GLN  12 -11.156   4.817   4.011
   89   1HG   GLN  12          2HG       GLN  12 -11.717   3.515   6.185
   90   2HG   GLN  12          1HG       GLN  12 -11.019   2.123   5.357
   91   1HE2  GLN  12          1HE2      GLN  12 -10.068   5.607   5.448
   92   2HE2  GLN  12          2HE2      GLN  12  -8.468   5.305   5.928
   93    H    ASP  13           H        ASP  13 -12.733   4.440   1.543
   94    HA   ASP  13           HA       ASP  13 -14.806   6.498   1.533
   95   1HB   ASP  13          2HB       ASP  13 -12.413   7.205   2.669
   96   2HB   ASP  13          1HB       ASP  13 -12.131   7.648   0.982
   97    H    CYS  14           H        CYS  14 -13.238   7.977  -0.586
   98    HA   CYS  14           HA       CYS  14 -13.927   6.210  -2.829
   99   1HB   CYS  14          2HB       CYS  14 -13.044   9.030  -2.370
  100   2HB   CYS  14          1HB       CYS  14 -12.823   8.353  -3.981
  101    H    ASN  15           H        ASN  15 -11.369   6.146  -0.818
  102    HA   ASN  15           HA       ASN  15  -9.415   5.564  -3.015
  103   1HB   ASN  15          2HB       ASN  15  -8.880   6.440  -0.160
  104   2HB   ASN  15          1HB       ASN  15  -7.705   6.345  -1.476
  105   1HD2  ASN  15          1HD2      ASN  15  -9.660   7.449  -3.477
  106   2HD2  ASN  15          2HD2      ASN  15  -9.775   9.113  -3.127
  107    H    THR  16           H        THR  16  -9.749   3.304  -3.156
  108    HA   THR  16           HA       THR  16 -10.096   1.594  -0.845
  109    HB   THR  16           HB       THR  16  -9.005   0.557  -3.419
  110    HG1  THR  16           1HG      THR  16 -11.206   0.935  -4.270
  111   1HG2  THR  16          1HG2      THR  16  -9.877  -0.959  -1.705
  112   2HG2  THR  16          2HG2      THR  16 -10.912  -1.003  -3.132
  113   3HG2  THR  16          3HG2      THR  16 -11.418  -0.099  -1.704
  114    H    CYS  17           H        CYS  17  -8.511   0.841   0.504
  115    HA   CYS  17           HA       CYS  17  -5.730   1.560   0.155
  116   1HB   CYS  17          2HB       CYS  17  -7.513   0.389   2.115
  117   2HB   CYS  17          1HB       CYS  17  -5.991  -0.500   2.062
  118    H    ASN  18           H        ASN  18  -7.657  -1.246  -0.639
  119    HA   ASN  18           HA       ASN  18  -7.081  -3.369  -1.512
  120   1HB   ASN  18          2HB       ASN  18  -5.873  -3.064  -3.601
  121   2HB   ASN  18          1HB       ASN  18  -6.919  -1.668  -3.340
  122   1HD2  ASN  18          1HD2      ASN  18  -5.900   0.379  -2.765
  123   2HD2  ASN  18          2HD2      ASN  18  -4.230   0.619  -2.952
  124    H    CYS  19           H        CYS  19  -6.039  -4.735  -0.121
  125    HA   CYS  19           HA       CYS  19  -3.543  -4.453   1.173
  126   1HB   CYS  19          2HB       CYS  19  -5.022  -6.140   1.869
  127   2HB   CYS  19          1HB       CYS  19  -5.335  -6.678   0.224
  128    H    THR  20           H        THR  20  -1.405  -5.233   0.580
  129    HA   THR  20           HA       THR  20  -1.011  -5.491  -2.377
  130    HB   THR  20           HB       THR  20   0.079  -3.806  -0.503
  131    HG1  THR  20           1HG      THR  20   1.233  -3.161  -2.174
  132   1HG2  THR  20          1HG2      THR  20   1.292  -6.009   0.312
  133   2HG2  THR  20          2HG2      THR  20   2.169  -4.480   0.235
  134   3HG2  THR  20          3HG2      THR  20   2.357  -5.671  -1.053
  135    HA   PRO  21           HA       PRO  21   0.415  -9.623  -1.968
  136   1HB   PRO  21          2HB       PRO  21   2.719  -9.714  -3.441
  137   2HB   PRO  21          1HB       PRO  21   1.106  -9.577  -4.169
  138   1HG   PRO  21          2HG       PRO  21   3.156  -7.476  -3.710
  139   2HG   PRO  21          1HG       PRO  21   2.038  -7.687  -5.065
  140   1HD   PRO  21          2HD       PRO  21   1.667  -5.882  -3.041
  141   2HD   PRO  21          1HD       PRO  21   0.347  -6.575  -4.008
  142    H    THR  22           H        THR  22   1.055  -8.320   0.340
  143    HA   THR  22           HA       THR  22   3.000  -9.804   1.646
  144    HB   THR  22           HB       THR  22   4.706  -9.008   0.145
  145    HG1  THR  22           1HG      THR  22   5.985  -8.473   1.704
  146   1HG2  THR  22          1HG2      THR  22   5.052  -6.509  -0.125
  147   2HG2  THR  22          2HG2      THR  22   3.483  -6.290   0.648
  148   3HG2  THR  22          3HG2      THR  22   3.596  -7.145  -0.890
  149    H    GLY  23           H        GLY  23   0.526  -8.294   2.101
  150   1HA   GLY  23          2HA       GLY  23  -0.366  -7.266   4.048
  151   2HA   GLY  23          1HA       GLY  23   1.273  -7.041   4.630
  152    H    VAL  24           H        VAL  24   0.374  -4.861   5.201
  153    HA   VAL  24           HA       VAL  24   0.262  -2.544   4.793
  154    HB   VAL  24           HB       VAL  24   2.086  -3.606   2.625
  155   1HG1  VAL  24          1HG1      VAL  24   1.440  -0.739   3.370
  156   2HG1  VAL  24          2HG1      VAL  24   1.220  -1.504   1.796
  157   3HG1  VAL  24          3HG1      VAL  24   2.844  -1.210   2.415
  158   1HG2  VAL  24          1HG2      VAL  24   3.844  -2.909   4.084
  159   2HG2  VAL  24          2HG2      VAL  24   2.675  -3.732   5.116
  160   3HG2  VAL  24          3HG2      VAL  24   2.737  -1.971   5.086
  161    H    TRP  25           H        TRP  25  -0.631  -0.922   3.293
  162    HA   TRP  25           HA       TRP  25  -2.246  -2.066   1.048
  163   1HB   TRP  25          2HB       TRP  25  -3.125  -0.102   3.196
  164   2HB   TRP  25          1HB       TRP  25  -4.129  -0.682   1.866
  165    HD1  TRP  25           HD       TRP  25  -2.117  -2.167   4.825
  166    HE1  TRP  25           1HE      TRP  25  -3.381  -4.240   5.691
  167    HE3  TRP  25           3HE      TRP  25  -5.966  -2.320   1.470
  168    HZ2  TRP  25           2HZ      TRP  25  -5.716  -5.762   5.045
  169    HZ3  TRP  25           3HZ      TRP  25  -7.692  -4.090   1.619
  170    HH2  TRP  25           HH       TRP  25  -7.573  -5.810   3.399
  171    H    ALA  26           H        ALA  26  -3.043  -0.204  -0.404
  172    HA   ALA  26           HA       ALA  26  -0.839   1.791  -0.692
  173   1HB   ALA  26          1HB       ALA  26  -1.038   1.215  -2.863
  174   2HB   ALA  26          2HB       ALA  26  -2.724   1.732  -2.862
  175   3HB   ALA  26          3HB       ALA  26  -2.310   0.075  -2.421
  176    H    CYS  27           H        CYS  27  -4.385   1.712  -1.237
  177    HA   CYS  27           HA       CYS  27  -6.024   3.351  -0.783
  178   1HB   CYS  27          2HB       CYS  27  -3.947   3.511   1.258
  179   2HB   CYS  27          1HB       CYS  27  -4.713   5.077   0.996
  180    H    THR  28           H        THR  28  -5.849   4.246  -2.942
  181    HA   THR  28           HA       THR  28  -3.933   6.463  -3.386
  182    HB   THR  28           HB       THR  28  -6.023   5.703  -5.366
  183    HG1  THR  28           1HG      THR  28  -4.337   3.877  -5.745
  184   1HG2  THR  28          1HG2      THR  28  -3.604   5.470  -6.574
  185   2HG2  THR  28          2HG2      THR  28  -3.200   6.594  -5.276
  186   3HG2  THR  28          3HG2      THR  28  -4.475   6.997  -6.427
  187    H    ARG  29           H        ARG  29  -4.530   8.582  -3.144
  188    HA   ARG  29           HA       ARG  29  -7.462   9.216  -3.004
  189   1HB   ARG  29          2HB       ARG  29  -6.395   9.373  -0.831
  190   2HB   ARG  29          1HB       ARG  29  -5.067  10.320  -1.503
  191   1HG   ARG  29          2HG       ARG  29  -6.243  12.239  -1.338
  192   2HG   ARG  29          1HG       ARG  29  -7.650  11.516  -2.120
  193   1HD   ARG  29          2HD       ARG  29  -8.701  11.372  -0.119
  194   2HD   ARG  29          1HD       ARG  29  -7.363  10.401   0.528
  195    HE   ARG  29           HE       ARG  29  -6.234  12.483   1.169
  196   1HH1  ARG  29          1HH1      ARG  29  -9.483  12.462   1.565
  197   2HH1  ARG  29          2HH1      ARG  29  -9.721  14.176   1.494
  198   1HH2  ARG  29          1HH2      ARG  29  -6.507  14.844   0.377
  199   2HH2  ARG  29          2HH2      ARG  29  -8.036  15.525   0.818
  200    H    LYS  30           H        LYS  30  -7.917  10.218  -4.943
  201    HA   LYS  30           HA       LYS  30  -6.215  12.547  -5.717
  202   1HB   LYS  30          2HB       LYS  30  -5.514  10.530  -6.980
  203   2HB   LYS  30          1HB       LYS  30  -7.172  10.317  -7.542
  204   1HG   LYS  30          2HG       LYS  30  -6.975  11.951  -9.103
  205   2HG   LYS  30          1HG       LYS  30  -6.113  13.023  -7.998
  206   1HD   LYS  30          2HD       LYS  30  -4.440  10.766  -8.619
  207   2HD   LYS  30          1HD       LYS  30  -5.021  11.489 -10.120
  208   1HE   LYS  30          2HE       LYS  30  -3.094  12.768  -9.662
  209   2HE   LYS  30          1HE       LYS  30  -4.376  13.762  -8.942
  210   1HZ   LYS  30          1HZ       LYS  30  -3.434  11.650  -7.223
  211   2HZ   LYS  30          2HZ       LYS  30  -3.694  13.294  -6.879
  212   3HZ   LYS  30          3HZ       LYS  30  -2.237  12.793  -7.595
  213    H    GLY  31           H        GLY  31  -9.109  11.787  -4.667
  214   1HA   GLY  31          2HA       GLY  31 -10.731  13.763  -5.027
  215   2HA   GLY  31          1HA       GLY  31 -10.615  13.330  -6.738
  216    H    CYS  32           H        CYS  32 -12.615  13.018  -4.185
  217    HA   CYS  32           HA       CYS  32 -13.402  10.195  -4.677
  218   1HB   CYS  32          2HB       CYS  32 -13.258  10.970  -2.382
  219   2HB   CYS  32          1HB       CYS  32 -14.280  12.363  -2.745
  220    HA   PRO  33           HA       PRO  33 -16.291  12.061  -7.599
  221   1HB   PRO  33          2HB       PRO  33 -16.840   9.722  -8.907
  222   2HB   PRO  33          1HB       PRO  33 -15.396  10.699  -9.240
  223   1HG   PRO  33          2HG       PRO  33 -15.668   8.215  -7.633
  224   2HG   PRO  33          1HG       PRO  33 -14.348   8.739  -8.689
  225   1HD   PRO  33          2HD       PRO  33 -14.288   8.902  -5.951
  226   2HD   PRO  33          1HD       PRO  33 -13.337   9.939  -7.034
  227    HA   PRO  34           HA       PRO  34 -19.834  10.870  -5.208
  228   1HB   PRO  34          2HB       PRO  34 -21.672  12.374  -6.566
  229   2HB   PRO  34          1HB       PRO  34 -20.520  13.070  -5.410
  230   1HG   PRO  34          2HG       PRO  34 -20.447  13.057  -8.379
  231   2HG   PRO  34          1HG       PRO  34 -19.936  14.312  -7.240
  232   1HD   PRO  34          2HD       PRO  34 -18.216  12.607  -8.534
  233   2HD   PRO  34          1HD       PRO  34 -17.855  13.420  -6.997
  234    H    HIS  35           H        HIS  35 -19.829  10.776  -8.761
  235    HA   HIS  35           HA       HIS  35 -22.113   8.924  -8.878
  236   1HB   HIS  35          2HB       HIS  35 -21.773   9.138 -11.261
  237   2HB   HIS  35          1HB       HIS  35 -21.509  10.734 -10.555
  238    HD1  HIS  35           1HD      HIS  35 -19.893   8.217 -12.641
  239    HD2  HIS  35           2HD      HIS  35 -18.606  11.274 -10.116
  240    HE1  HIS  35           1HE      HIS  35 -17.464   8.648 -13.217
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1  -1.901  -9.523  12.487
    2   2H    GLU   1          2HT       GLU   1  -1.509  -8.532  11.164
    3   3H    GLU   1          3HT       GLU   1  -0.311  -9.488  11.896
    4    HA   GLU   1           HA       GLU   1  -1.327 -11.502  11.119
    5   1HB   GLU   1          2HB       GLU   1  -3.474  -9.522  10.307
    6   2HB   GLU   1          1HB       GLU   1  -3.452 -11.194   9.747
    7   1HG   GLU   1          2HG       GLU   1  -4.532 -11.759  11.641
    8   2HG   GLU   1          1HG       GLU   1  -3.059 -11.354  12.524
    9    H    GLN   2           H        GLN   2   0.822 -10.086  10.201
   10    HA   GLN   2           HA       GLN   2   2.115  -9.796   8.245
   11   1HB   GLN   2          2HB       GLN   2   0.648 -11.963   7.852
   12   2HB   GLN   2          1HB       GLN   2  -0.173 -10.940   6.672
   13   1HG   GLN   2          2HG       GLN   2   1.631 -10.878   5.270
   14   2HG   GLN   2          1HG       GLN   2   2.791 -10.866   6.598
   15   1HE2  GLN   2          1HE2      GLN   2   2.375 -13.165   7.978
   16   2HE2  GLN   2          2HE2      GLN   2   2.496 -14.532   6.980
   17    H    GLU   3           H        GLU   3   0.151  -7.749   9.147
   18    HA   GLU   3           HA       GLU   3  -1.053  -5.867   8.330
   19   1HB   GLU   3          2HB       GLU   3   0.678  -4.863   6.483
   20   2HB   GLU   3          1HB       GLU   3   0.952  -4.777   8.217
   21   1HG   GLU   3          2HG       GLU   3   2.303  -6.815   8.140
   22   2HG   GLU   3          1HG       GLU   3   1.974  -7.000   6.422
   23    H    CYS   4           H        CYS   4  -1.862  -8.298   7.023
   24    HA   CYS   4           HA       CYS   4  -3.488  -8.675   5.352
   25   1HB   CYS   4          2HB       CYS   4  -4.199  -6.929   4.076
   26   2HB   CYS   4          1HB       CYS   4  -3.146  -5.987   5.126
   27    H    THR   5           H        THR   5  -3.398  -9.404   2.986
   28    HA   THR   5           HA       THR   5  -0.839  -9.864   1.737
   29    HB   THR   5           HB       THR   5  -1.608 -12.494   2.601
   30    HG1  THR   5           1HG      THR   5  -1.940 -12.258   4.648
   31   1HG2  THR   5          1HG2      THR   5   0.727 -10.767   2.441
   32   2HG2  THR   5          2HG2      THR   5   0.623 -12.522   2.296
   33   3HG2  THR   5          3HG2      THR   5   0.757 -11.775   3.887
   34    HA   PRO   6           HA       PRO   6  -4.059 -12.704  -0.344
   35   1HB   PRO   6          2HB       PRO   6  -6.485 -13.076   0.858
   36   2HB   PRO   6          1HB       PRO   6  -5.065 -14.086   1.188
   37   1HG   PRO   6          2HG       PRO   6  -6.216 -11.862   2.783
   38   2HG   PRO   6          1HG       PRO   6  -5.468 -13.373   3.322
   39   1HD   PRO   6          2HD       PRO   6  -4.208 -10.946   3.339
   40   2HD   PRO   6          1HD       PRO   6  -3.364 -12.504   3.254
   41    H    GLY   7           H        GLY   7  -4.039  -9.687  -0.289
   42   1HA   GLY   7          2HA       GLY   7  -5.210  -7.950  -1.332
   43   2HA   GLY   7          1HA       GLY   7  -6.055  -9.221  -2.213
   44    H    GLN   8           H        GLN   8  -6.061  -7.622   0.992
   45    HA   GLN   8           HA       GLN   8  -8.942  -8.303   1.286
   46   1HB   GLN   8          2HB       GLN   8  -6.765  -7.180   3.068
   47   2HB   GLN   8          1HB       GLN   8  -8.455  -7.241   3.582
   48   1HG   GLN   8          2HG       GLN   8  -8.497  -9.669   3.243
   49   2HG   GLN   8          1HG       GLN   8  -6.835  -9.632   2.656
   50   1HE2  GLN   8          1HE2      GLN   8  -8.151  -7.765   5.415
   51   2HE2  GLN   8          2HE2      GLN   8  -7.163  -8.500   6.585
   52    H    THR   9           H        THR   9  -8.488  -6.492  -0.791
   53    HA   THR   9           HA       THR   9  -8.347  -3.772  -0.424
   54    HB   THR   9           HB       THR   9 -10.535  -5.187  -1.976
   55    HG1  THR   9           1HG      THR   9  -7.918  -4.603  -2.861
   56   1HG2  THR   9          1HG2      THR   9 -10.203  -2.544  -1.717
   57   2HG2  THR   9          2HG2      THR   9 -10.700  -3.274  -3.244
   58   3HG2  THR   9          3HG2      THR   9  -9.012  -2.831  -2.987
   59    H    LYS  10           H        LYS  10  -9.413  -2.312   0.850
   60    HA   LYS  10           HA       LYS  10 -12.132  -3.064   1.878
   61   1HB   LYS  10          2HB       LYS  10 -11.426  -1.877   3.956
   62   2HB   LYS  10          1HB       LYS  10 -10.374  -3.245   3.585
   63   1HG   LYS  10          2HG       LYS  10  -9.433  -0.848   2.254
   64   2HG   LYS  10          1HG       LYS  10  -9.581  -0.579   3.990
   65   1HD   LYS  10          2HD       LYS  10  -8.379  -3.169   3.193
   66   2HD   LYS  10          1HD       LYS  10  -7.410  -1.736   2.843
   67   1HE   LYS  10          2HE       LYS  10  -6.732  -2.143   5.034
   68   2HE   LYS  10          1HE       LYS  10  -8.136  -1.104   5.351
   69   1HZ   LYS  10          1HZ       LYS  10  -7.806  -3.752   6.122
   70   2HZ   LYS  10          2HZ       LYS  10  -8.979  -3.768   4.894
   71   3HZ   LYS  10          3HZ       LYS  10  -9.203  -2.804   6.274
   72    H    LYS  11           H        LYS  11 -12.834  -1.786  -0.094
   73    HA   LYS  11           HA       LYS  11 -12.271   0.934  -0.577
   74   1HB   LYS  11          2HB       LYS  11 -14.469   0.883  -1.704
   75   2HB   LYS  11          1HB       LYS  11 -13.586  -0.615  -2.006
   76   1HG   LYS  11          2HG       LYS  11 -14.873  -1.321   0.255
   77   2HG   LYS  11          1HG       LYS  11 -16.035  -0.158  -0.383
   78   1HD   LYS  11          2HD       LYS  11 -14.874  -2.255  -2.197
   79   2HD   LYS  11          1HD       LYS  11 -16.209  -2.668  -1.119
   80   1HE   LYS  11          2HE       LYS  11 -16.379  -0.206  -2.855
   81   2HE   LYS  11          1HE       LYS  11 -16.805  -1.802  -3.505
   82   1HZ   LYS  11          1HZ       LYS  11 -18.243  -2.135  -1.561
   83   2HZ   LYS  11          2HZ       LYS  11 -18.744  -0.806  -2.495
   84   3HZ   LYS  11          3HZ       LYS  11 -17.903  -0.558  -1.038
   85    H    GLN  12           H        GLN  12 -12.059   1.917   1.579
   86    HA   GLN  12           HA       GLN  12 -14.327   2.011   3.406
   87   1HB   GLN  12          2HB       GLN  12 -11.545   2.941   3.194
   88   2HB   GLN  12          1HB       GLN  12 -12.593   4.057   4.071
   89   1HG   GLN  12          2HG       GLN  12 -13.069   2.514   5.743
   90   2HG   GLN  12          1HG       GLN  12 -12.758   1.130   4.694
   91   1HE2  GLN  12          1HE2      GLN  12 -11.351   0.474   6.664
   92   2HE2  GLN  12          2HE2      GLN  12  -9.756   1.052   6.702
   93    H    ASP  13           H        ASP  13 -12.645   4.752   1.818
   94    HA   ASP  13           HA       ASP  13 -15.317   5.897   1.123
   95   1HB   ASP  13          2HB       ASP  13 -14.401   8.082   2.065
   96   2HB   ASP  13          1HB       ASP  13 -14.739   6.828   3.262
   97    H    CYS  14           H        CYS  14 -13.091   8.309   0.775
   98    HA   CYS  14           HA       CYS  14 -13.055   8.200  -2.086
   99   1HB   CYS  14          2HB       CYS  14 -11.060   9.667  -0.347
  100   2HB   CYS  14          1HB       CYS  14 -11.723  10.166  -1.902
  101    H    ASN  15           H        ASN  15 -10.881   6.875   0.343
  102    HA   ASN  15           HA       ASN  15  -8.898   6.197  -1.785
  103   1HB   ASN  15          2HB       ASN  15  -8.865   6.435   1.221
  104   2HB   ASN  15          1HB       ASN  15  -7.565   5.598   0.367
  105   1HD2  ASN  15          1HD2      ASN  15  -5.874   6.926  -0.285
  106   2HD2  ASN  15          2HD2      ASN  15  -5.993   8.609  -0.543
  107    H    THR  16           H        THR  16  -8.911   4.153  -2.567
  108    HA   THR  16           HA       THR  16 -10.293   2.004  -1.010
  109    HB   THR  16           HB       THR  16  -9.524   2.358  -3.926
  110    HG1  THR  16           1HG      THR  16 -11.706   2.566  -4.195
  111   1HG2  THR  16          1HG2      THR  16 -11.244   0.113  -2.938
  112   2HG2  THR  16          2HG2      THR  16  -9.491  -0.048  -2.830
  113   3HG2  THR  16          3HG2      THR  16 -10.257   0.206  -4.397
  114    H    CYS  17           H        CYS  17  -8.315   1.846   0.374
  115    HA   CYS  17           HA       CYS  17  -5.699   1.309  -0.487
  116   1HB   CYS  17          2HB       CYS  17  -7.386   0.485   1.868
  117   2HB   CYS  17          1HB       CYS  17  -5.703  -0.030   1.748
  118    H    ASN  18           H        ASN  18  -4.730  -0.409  -1.458
  119    HA   ASN  18           HA       ASN  18  -6.299  -2.950  -1.764
  120   1HB   ASN  18          2HB       ASN  18  -5.209  -1.188  -3.640
  121   2HB   ASN  18          1HB       ASN  18  -4.045  -2.513  -3.577
  122   1HD2  ASN  18          1HD2      ASN  18  -5.619  -2.149  -5.906
  123   2HD2  ASN  18          2HD2      ASN  18  -6.731  -3.425  -6.029
  124    H    CYS  19           H        CYS  19  -5.337  -4.787  -0.914
  125    HA   CYS  19           HA       CYS  19  -2.842  -4.519   0.597
  126   1HB   CYS  19          2HB       CYS  19  -4.744  -5.768   1.436
  127   2HB   CYS  19          1HB       CYS  19  -4.777  -6.767  -0.014
  128    H    THR  20           H        THR  20  -1.067  -6.177   0.284
  129    HA   THR  20           HA       THR  20  -0.784  -6.989  -2.595
  130    HB   THR  20           HB       THR  20   1.772  -6.399  -1.582
  131    HG1  THR  20           1HG      THR  20   1.290  -4.144  -0.951
  132   1HG2  THR  20          1HG2      THR  20   0.698  -4.150  -3.000
  133   2HG2  THR  20          2HG2      THR  20   0.045  -5.628  -3.705
  134   3HG2  THR  20          3HG2      THR  20   1.790  -5.401  -3.593
  135    HA   PRO  21           HA       PRO  21   0.699 -10.836  -1.071
  136   1HB   PRO  21          2HB       PRO  21   3.014 -11.312  -2.455
  137   2HB   PRO  21          1HB       PRO  21   1.407 -11.392  -3.203
  138   1HG   PRO  21          2HG       PRO  21   3.444  -9.230  -3.321
  139   2HG   PRO  21          1HG       PRO  21   2.340  -9.812  -4.576
  140   1HD   PRO  21          2HD       PRO  21   1.938  -7.523  -3.128
  141   2HD   PRO  21          1HD       PRO  21   0.632  -8.468  -3.877
  142    H    THR  22           H        THR  22   1.293  -8.939   0.782
  143    HA   THR  22           HA       THR  22   3.293  -9.948   2.434
  144    HB   THR  22           HB       THR  22   5.003  -9.527   0.849
  145    HG1  THR  22           1HG      THR  22   5.145  -7.015   2.010
  146   1HG2  THR  22          1HG2      THR  22   4.836  -6.855   0.056
  147   2HG2  THR  22          2HG2      THR  22   3.170  -7.431  -0.006
  148   3HG2  THR  22          3HG2      THR  22   4.426  -8.261  -0.926
  149    H    GLY  23           H        GLY  23   0.794  -8.690   2.730
  150   1HA   GLY  23          2HA       GLY  23  -0.258  -7.113   4.092
  151   2HA   GLY  23          1HA       GLY  23   1.307  -6.785   4.786
  152    H    VAL  24           H        VAL  24   1.226  -4.537   4.782
  153    HA   VAL  24           HA       VAL  24   1.268  -2.350   3.904
  154    HB   VAL  24           HB       VAL  24   2.265  -3.789   1.432
  155   1HG1  VAL  24          1HG1      VAL  24   2.332  -1.042   2.509
  156   2HG1  VAL  24          2HG1      VAL  24   2.506  -1.603   0.845
  157   3HG1  VAL  24          3HG1      VAL  24   3.891  -1.638   1.937
  158   1HG2  VAL  24          1HG2      VAL  24   3.284  -4.731   3.522
  159   2HG2  VAL  24          2HG2      VAL  24   3.820  -3.105   3.948
  160   3HG2  VAL  24          3HG2      VAL  24   4.454  -3.892   2.503
  161    H    TRP  25           H        TRP  25   0.426  -0.967   2.027
  162    HA   TRP  25           HA       TRP  25  -1.778  -2.244   0.490
  163   1HB   TRP  25          2HB       TRP  25  -2.026   0.005   2.509
  164   2HB   TRP  25          1HB       TRP  25  -3.294  -0.407   1.355
  165    HD1  TRP  25           HD       TRP  25  -1.361  -1.909   4.319
  166    HE1  TRP  25           1HE      TRP  25  -2.807  -3.770   5.368
  167    HE3  TRP  25           3HE      TRP  25  -5.214  -2.028   0.969
  168    HZ2  TRP  25           2HZ      TRP  25  -5.274  -5.126   4.853
  169    HZ3  TRP  25           3HZ      TRP  25  -7.096  -3.612   1.271
  170    HH2  TRP  25           HH       TRP  25  -7.131  -5.160   3.208
  171    H    ALA  26           H        ALA  26  -2.934  -0.055  -0.607
  172    HA   ALA  26           HA       ALA  26  -0.682   1.546  -1.775
  173   1HB   ALA  26          1HB       ALA  26  -1.562  -0.317  -3.225
  174   2HB   ALA  26          2HB       ALA  26  -1.777   1.281  -3.940
  175   3HB   ALA  26          3HB       ALA  26  -3.144   0.461  -3.185
  176    H    CYS  27           H        CYS  27  -4.257   1.478  -1.935
  177    HA   CYS  27           HA       CYS  27  -5.842   3.150  -1.408
  178   1HB   CYS  27          2HB       CYS  27  -3.555   4.637  -0.104
  179   2HB   CYS  27          1HB       CYS  27  -5.254   4.620   0.361
  180    H    THR  28           H        THR  28  -6.433   5.328  -2.084
  181    HA   THR  28           HA       THR  28  -4.505   6.855  -3.733
  182    HB   THR  28           HB       THR  28  -5.334   5.207  -5.297
  183    HG1  THR  28           1HG      THR  28  -5.341   7.117  -6.312
  184   1HG2  THR  28          1HG2      THR  28  -8.173   5.836  -5.152
  185   2HG2  THR  28          2HG2      THR  28  -7.569   5.178  -3.632
  186   3HG2  THR  28          3HG2      THR  28  -7.373   4.264  -5.127
  187    H    ARG  29           H        ARG  29  -5.112   9.061  -3.793
  188    HA   ARG  29           HA       ARG  29  -7.666   9.726  -2.360
  189   1HB   ARG  29          2HB       ARG  29  -5.128  10.238  -1.596
  190   2HB   ARG  29          1HB       ARG  29  -5.427  11.675  -2.576
  191   1HG   ARG  29          2HG       ARG  29  -7.225  12.374  -1.229
  192   2HG   ARG  29          1HG       ARG  29  -7.440  10.770  -0.528
  193   1HD   ARG  29          2HD       ARG  29  -4.774  11.570   0.068
  194   2HD   ARG  29          1HD       ARG  29  -5.838  12.931   0.477
  195    HE   ARG  29           HE       ARG  29  -6.877  10.326   1.322
  196   1HH1  ARG  29          1HH1      ARG  29  -7.424  12.943   2.699
  197   2HH1  ARG  29          2HH1      ARG  29  -6.470  12.795   4.138
  198   1HH2  ARG  29          1HH2      ARG  29  -4.554  10.176   2.915
  199   2HH2  ARG  29          2HH2      ARG  29  -4.847  11.226   4.261
  200    H    LYS  30           H        LYS  30  -7.024  12.603  -3.104
  201    HA   LYS  30           HA       LYS  30  -7.428  14.123  -4.876
  202   1HB   LYS  30          2HB       LYS  30  -6.166  11.961  -6.024
  203   2HB   LYS  30          1HB       LYS  30  -7.673  12.032  -6.940
  204   1HG   LYS  30          2HG       LYS  30  -7.271  14.433  -7.399
  205   2HG   LYS  30          1HG       LYS  30  -5.744  14.335  -6.520
  206   1HD   LYS  30          2HD       LYS  30  -6.059  12.262  -8.583
  207   2HD   LYS  30          1HD       LYS  30  -6.026  13.905  -9.224
  208   1HE   LYS  30          2HE       LYS  30  -3.806  14.124  -8.784
  209   2HE   LYS  30          1HE       LYS  30  -3.994  13.460  -7.148
  210   1HZ   LYS  30          1HZ       LYS  30  -3.743  11.986  -9.704
  211   2HZ   LYS  30          2HZ       LYS  30  -4.382  11.256  -8.309
  212   3HZ   LYS  30          3HZ       LYS  30  -2.786  11.839  -8.311
  213    H    GLY  31           H        GLY  31  -9.577  13.714  -3.442
  214   1HA   GLY  31          2HA       GLY  31 -11.919  13.918  -3.588
  215   2HA   GLY  31          1HA       GLY  31 -11.774  13.756  -5.341
  216    H    CYS  32           H        CYS  32 -13.843  12.455  -4.051
  217    HA   CYS  32           HA       CYS  32 -12.954   9.595  -3.918
  218   1HB   CYS  32          2HB       CYS  32 -15.697  10.385  -3.071
  219   2HB   CYS  32          1HB       CYS  32 -14.560   9.287  -2.297
  220    HA   PRO  33           HA       PRO  33 -15.089   9.759  -7.906
  221   1HB   PRO  33          2HB       PRO  33 -13.855   7.539  -8.924
  222   2HB   PRO  33          1HB       PRO  33 -13.116   9.152  -8.940
  223   1HG   PRO  33          2HG       PRO  33 -12.608   6.855  -7.126
  224   2HG   PRO  33          1HG       PRO  33 -11.480   8.051  -7.778
  225   1HD   PRO  33          2HD       PRO  33 -12.483   8.112  -5.225
  226   2HD   PRO  33          1HD       PRO  33 -11.890   9.540  -6.098
  227    HA   PRO  34           HA       PRO  34 -17.986   6.747  -6.257
  228   1HB   PRO  34          2HB       PRO  34 -20.098   7.572  -7.796
  229   2HB   PRO  34          1HB       PRO  34 -19.598   8.402  -6.308
  230   1HG   PRO  34          2HG       PRO  34 -19.080   9.129  -9.144
  231   2HG   PRO  34          1HG       PRO  34 -19.410  10.167  -7.751
  232   1HD   PRO  34          2HD       PRO  34 -16.914   9.762  -8.801
  233   2HD   PRO  34          1HD       PRO  34 -17.221  10.224  -7.112
  234    H    HIS  35           H        HIS  35 -19.062   7.336  -9.575
  235    HA   HIS  35           HA       HIS  35 -19.431   4.727 -10.404
  236   1HB   HIS  35          2HB       HIS  35 -19.661   7.101 -11.556
  237   2HB   HIS  35          1HB       HIS  35 -18.096   6.683 -12.253
  238    HD1  HIS  35           1HD      HIS  35 -20.963   6.814 -13.770
  239    HD2  HIS  35           2HD      HIS  35 -18.895   3.385 -12.614
  240    HE1  HIS  35           1HE      HIS  35 -21.802   4.939 -15.250
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1   4.716 -12.661  11.747
    2   2H    GLU   1          2HT       GLU   1   5.960 -11.725  12.431
    3   3H    GLU   1          3HT       GLU   1   6.083 -12.266  10.824
    4    HA   GLU   1           HA       GLU   1   4.513 -10.048  11.923
    5   1HB   GLU   1          2HB       GLU   1   6.432 -10.738   9.752
    6   2HB   GLU   1          1HB       GLU   1   5.256  -9.474   9.390
    7   1HG   GLU   1          2HG       GLU   1   5.929  -8.285  11.468
    8   2HG   GLU   1          1HG       GLU   1   7.155  -9.521  11.753
    9    H    GLN   2           H        GLN   2   2.542  -9.425  10.964
   10    HA   GLN   2           HA       GLN   2   1.441 -10.918   8.682
   11   1HB   GLN   2          2HB       GLN   2   1.059 -12.441  10.567
   12   2HB   GLN   2          1HB       GLN   2   0.306 -11.139  11.489
   13   1HG   GLN   2          2HG       GLN   2  -1.633 -11.189  10.246
   14   2HG   GLN   2          1HG       GLN   2  -0.801 -11.707   8.778
   15   1HE2  GLN   2          1HE2      GLN   2  -0.782 -13.941   8.320
   16   2HE2  GLN   2          2HE2      GLN   2  -1.370 -15.132   9.377
   17    H    GLU   3           H        GLU   3   0.054  -9.566   7.587
   18    HA   GLU   3           HA       GLU   3  -1.318  -7.376   9.075
   19   1HB   GLU   3          2HB       GLU   3  -0.358  -6.356   6.571
   20   2HB   GLU   3          1HB       GLU   3   0.038  -5.795   8.188
   21   1HG   GLU   3          2HG       GLU   3   2.100  -6.373   7.046
   22   2HG   GLU   3          1HG       GLU   3   1.813  -7.571   8.305
   23    H    CYS   4           H        CYS   4  -0.744  -8.482   5.751
   24    HA   CYS   4           HA       CYS   4  -3.408  -9.454   5.281
   25   1HB   CYS   4          2HB       CYS   4  -4.087  -7.163   5.456
   26   2HB   CYS   4          1HB       CYS   4  -2.676  -6.603   4.553
   27    H    THR   5           H        THR   5  -3.643  -9.882   2.850
   28    HA   THR   5           HA       THR   5  -1.116  -9.727   1.344
   29    HB   THR   5           HB       THR   5  -2.073 -12.447   1.365
   30    HG1  THR   5           1HG      THR   5  -2.703 -12.272   3.409
   31   1HG2  THR   5          1HG2      THR   5   0.443 -12.284   2.566
   32   2HG2  THR   5          2HG2      THR   5   0.387 -10.927   1.442
   33   3HG2  THR   5          3HG2      THR   5   0.113 -12.568   0.857
   34    HA   PRO   6           HA       PRO   6  -4.440 -11.519  -1.605
   35   1HB   PRO   6          2HB       PRO   6  -6.944 -11.984  -0.572
   36   2HB   PRO   6          1HB       PRO   6  -5.672 -13.224  -0.644
   37   1HG   PRO   6          2HG       PRO   6  -6.487 -11.485   1.646
   38   2HG   PRO   6          1HG       PRO   6  -6.122 -13.219   1.626
   39   1HD   PRO   6          2HD       PRO   6  -4.328 -11.440   2.492
   40   2HD   PRO   6          1HD       PRO   6  -3.832 -12.875   1.573
   41    H    GLY   7           H        GLY   7  -4.698  -9.594  -2.669
   42   1HA   GLY   7          2HA       GLY   7  -5.510  -7.130  -1.671
   43   2HA   GLY   7          1HA       GLY   7  -5.732  -7.608  -3.355
   44    H    GLN   8           H        GLN   8  -7.288  -7.300  -0.241
   45    HA   GLN   8           HA       GLN   8  -9.881  -8.167  -1.443
   46   1HB   GLN   8          2HB       GLN   8  -8.992  -7.692   1.421
   47   2HB   GLN   8          1HB       GLN   8 -10.590  -8.279   0.944
   48   1HG   GLN   8          2HG       GLN   8  -8.426  -9.821  -0.275
   49   2HG   GLN   8          1HG       GLN   8  -8.375  -9.867   1.488
   50   1HE2  GLN   8          1HE2      GLN   8  -9.354 -11.854   2.009
   51   2HE2  GLN   8          2HE2      GLN   8 -10.875 -12.347   1.440
   52    H    THR   9           H        THR   9  -8.105  -5.431  -1.040
   53    HA   THR   9           HA       THR   9  -8.643  -3.159  -1.063
   54    HB   THR   9           HB       THR   9 -11.474  -3.534  -1.653
   55    HG1  THR   9           1HG      THR   9 -11.191  -5.419  -2.559
   56   1HG2  THR   9          1HG2      THR   9 -10.907  -2.270  -3.600
   57   2HG2  THR   9          2HG2      THR   9  -9.208  -2.729  -3.485
   58   3HG2  THR   9          3HG2      THR   9  -9.907  -1.630  -2.295
   59    H    LYS  10           H        LYS  10  -9.651  -1.530   0.268
   60    HA   LYS  10           HA       LYS  10 -11.085  -2.646   2.655
   61   1HB   LYS  10          2HB       LYS  10  -9.531  -0.057   2.526
   62   2HB   LYS  10          1HB       LYS  10  -9.908  -1.037   3.942
   63   1HG   LYS  10          2HG       LYS  10  -8.491  -2.878   2.808
   64   2HG   LYS  10          1HG       LYS  10  -7.887  -1.585   1.770
   65   1HD   LYS  10          2HD       LYS  10  -6.328  -1.499   3.487
   66   2HD   LYS  10          1HD       LYS  10  -7.522  -0.346   4.084
   67   1HE   LYS  10          2HE       LYS  10  -8.622  -2.408   5.238
   68   2HE   LYS  10          1HE       LYS  10  -7.049  -3.187   4.976
   69   1HZ   LYS  10          1HZ       LYS  10  -7.565  -1.586   7.051
   70   2HZ   LYS  10          2HZ       LYS  10  -6.951  -0.454   5.944
   71   3HZ   LYS  10          3HZ       LYS  10  -6.016  -1.799   6.395
   72    H    LYS  11           H        LYS  11 -11.660   0.120   3.550
   73    HA   LYS  11           HA       LYS  11 -13.401   1.251   1.447
   74   1HB   LYS  11          2HB       LYS  11 -15.429   0.912   2.822
   75   2HB   LYS  11          1HB       LYS  11 -14.678  -0.632   2.425
   76   1HG   LYS  11          2HG       LYS  11 -14.664  -1.075   4.637
   77   2HG   LYS  11          1HG       LYS  11 -13.417   0.162   4.791
   78   1HD   LYS  11          2HD       LYS  11 -14.869   1.283   6.109
   79   2HD   LYS  11          1HD       LYS  11 -15.781   1.627   4.638
   80   1HE   LYS  11          2HE       LYS  11 -17.295  -0.146   5.013
   81   2HE   LYS  11          1HE       LYS  11 -16.193  -0.966   6.137
   82   1HZ   LYS  11          1HZ       LYS  11 -17.900   1.366   6.582
   83   2HZ   LYS  11          2HZ       LYS  11 -16.382   1.361   7.346
   84   3HZ   LYS  11          3HZ       LYS  11 -17.491   0.109   7.643
   85    H    GLN  12           H        GLN  12 -11.510   2.806   2.223
   86    HA   GLN  12           HA       GLN  12 -12.249   4.269   4.710
   87   1HB   GLN  12          2HB       GLN  12  -9.857   3.905   2.970
   88   2HB   GLN  12          1HB       GLN  12 -10.004   5.456   3.796
   89   1HG   GLN  12          2HG       GLN  12 -10.676   3.372   5.646
   90   2HG   GLN  12          1HG       GLN  12  -9.132   2.977   4.890
   91   1HE2  GLN  12          1HE2      GLN  12  -7.617   3.631   6.465
   92   2HE2  GLN  12          2HE2      GLN  12  -7.553   5.190   7.132
   93    H    ASP  13           H        ASP  13 -13.969   4.472   2.350
   94    HA   ASP  13           HA       ASP  13 -15.076   6.171   1.136
   95   1HB   ASP  13          2HB       ASP  13 -14.069   7.219   3.572
   96   2HB   ASP  13          1HB       ASP  13 -13.737   8.434   2.334
   97    H    CYS  14           H        CYS  14 -14.336   6.201  -0.967
   98    HA   CYS  14           HA       CYS  14 -13.112   6.969  -2.842
   99   1HB   CYS  14          2HB       CYS  14 -11.639   8.751  -0.895
  100   2HB   CYS  14          1HB       CYS  14 -12.025   9.066  -2.584
  101    H    ASN  15           H        ASN  15 -10.749   7.271  -0.173
  102    HA   ASN  15           HA       ASN  15  -8.546   6.188  -1.599
  103   1HB   ASN  15          2HB       ASN  15  -9.319   6.912   1.141
  104   2HB   ASN  15          1HB       ASN  15  -8.094   5.641   1.075
  105   1HD2  ASN  15          1HD2      ASN  15  -6.007   6.167   0.134
  106   2HD2  ASN  15          2HD2      ASN  15  -5.549   7.782  -0.177
  107    H    THR  16           H        THR  16  -9.142   4.203  -2.644
  108    HA   THR  16           HA       THR  16 -10.176   1.961  -1.027
  109    HB   THR  16           HB       THR  16  -9.158   1.569  -3.790
  110    HG1  THR  16           1HG      THR  16  -9.985   3.407  -4.391
  111   1HG2  THR  16          1HG2      THR  16 -10.628  -0.115  -3.568
  112   2HG2  THR  16          2HG2      THR  16 -11.935   1.069  -3.498
  113   3HG2  THR  16          3HG2      THR  16 -11.159   0.523  -2.011
  114    H    CYS  17           H        CYS  17  -8.464   1.477   0.432
  115    HA   CYS  17           HA       CYS  17  -5.698   1.282  -0.254
  116   1HB   CYS  17          2HB       CYS  17  -7.483   0.814   1.960
  117   2HB   CYS  17          1HB       CYS  17  -6.326  -0.513   1.849
  118    H    ASN  18           H        ASN  18  -4.856  -0.149  -1.716
  119    HA   ASN  18           HA       ASN  18  -6.189  -2.772  -2.168
  120   1HB   ASN  18          2HB       ASN  18  -4.100  -1.079  -3.543
  121   2HB   ASN  18          1HB       ASN  18  -4.321  -2.769  -3.997
  122   1HD2  ASN  18          1HD2      ASN  18  -5.742  -2.994  -5.722
  123   2HD2  ASN  18          2HD2      ASN  18  -7.069  -1.984  -6.036
  124    H    CYS  19           H        CYS  19  -5.237  -4.695  -1.416
  125    HA   CYS  19           HA       CYS  19  -2.789  -4.389   0.243
  126   1HB   CYS  19          2HB       CYS  19  -4.949  -5.444   1.032
  127   2HB   CYS  19          1HB       CYS  19  -4.651  -6.752  -0.110
  128    H    THR  20           H        THR  20  -1.034  -5.955   0.028
  129    HA   THR  20           HA       THR  20  -0.888  -7.272  -2.669
  130    HB   THR  20           HB       THR  20   1.701  -6.450  -1.806
  131    HG1  THR  20           1HG      THR  20   0.902  -4.069  -1.968
  132   1HG2  THR  20          1HG2      THR  20   0.648  -4.686  -3.791
  133   2HG2  THR  20          2HG2      THR  20  -0.010  -6.297  -4.084
  134   3HG2  THR  20          3HG2      THR  20   1.736  -6.056  -4.014
  135    HA   PRO  21           HA       PRO  21   0.721 -10.798  -0.600
  136   1HB   PRO  21          2HB       PRO  21   3.164 -11.338  -1.724
  137   2HB   PRO  21          1HB       PRO  21   1.624 -11.620  -2.562
  138   1HG   PRO  21          2HG       PRO  21   3.524  -9.333  -2.817
  139   2HG   PRO  21          1HG       PRO  21   2.635 -10.206  -4.078
  140   1HD   PRO  21          2HD       PRO  21   1.843  -7.793  -3.153
  141   2HD   PRO  21          1HD       PRO  21   0.689  -9.027  -3.712
  142    H    THR  22           H        THR  22   1.088  -8.634   1.014
  143    HA   THR  22           HA       THR  22   3.016  -9.332   2.912
  144    HB   THR  22           HB       THR  22   4.763  -8.947   1.309
  145    HG1  THR  22           1HG      THR  22   5.809  -7.728   2.630
  146   1HG2  THR  22          1HG2      THR  22   4.874  -6.773   0.044
  147   2HG2  THR  22          2HG2      THR  22   3.263  -6.397   0.651
  148   3HG2  THR  22          3HG2      THR  22   3.503  -7.784  -0.409
  149    H    GLY  23           H        GLY  23   0.421  -8.244   2.964
  150   1HA   GLY  23          2HA       GLY  23  -0.852  -6.404   3.741
  151   2HA   GLY  23          1HA       GLY  23   0.450  -6.304   4.920
  152    H    VAL  24           H        VAL  24   1.006  -4.191   5.068
  153    HA   VAL  24           HA       VAL  24   1.917  -2.113   4.434
  154    HB   VAL  24           HB       VAL  24   2.242  -3.469   1.742
  155   1HG1  VAL  24          1HG1      VAL  24   2.925  -0.870   2.799
  156   2HG1  VAL  24          2HG1      VAL  24   3.156  -1.497   1.166
  157   3HG1  VAL  24          3HG1      VAL  24   4.392  -1.762   2.394
  158   1HG2  VAL  24          1HG2      VAL  24   3.210  -4.418   4.123
  159   2HG2  VAL  24          2HG2      VAL  24   4.509  -3.329   3.635
  160   3HG2  VAL  24          3HG2      VAL  24   4.014  -4.646   2.571
  161    H    TRP  25           H        TRP  25  -0.168  -3.437   1.814
  162    HA   TRP  25           HA       TRP  25  -1.956  -2.430   0.660
  163   1HB   TRP  25          2HB       TRP  25  -1.829  -0.724   3.166
  164   2HB   TRP  25          1HB       TRP  25  -3.129  -0.627   1.984
  165    HD1  TRP  25           HD       TRP  25  -1.646  -2.917   4.644
  166    HE1  TRP  25           1HE      TRP  25  -3.359  -4.763   5.198
  167    HE3  TRP  25           3HE      TRP  25  -5.134  -2.002   1.024
  168    HZ2  TRP  25           2HZ      TRP  25  -5.876  -5.722   4.235
  169    HZ3  TRP  25           3HZ      TRP  25  -7.176  -3.399   0.865
  170    HH2  TRP  25           HH       TRP  25  -7.549  -5.258   2.464
  171    H    ALA  26           H        ALA  26  -2.667   0.193   0.244
  172    HA   ALA  26           HA       ALA  26  -0.232   1.778  -0.354
  173   1HB   ALA  26          1HB       ALA  26  -0.535   0.152  -2.218
  174   2HB   ALA  26          2HB       ALA  26  -0.764   1.817  -2.756
  175   3HB   ALA  26          3HB       ALA  26  -2.163   0.781  -2.474
  176    H    CYS  27           H        CYS  27  -3.715   1.521  -1.125
  177    HA   CYS  27           HA       CYS  27  -5.449   3.090  -0.874
  178   1HB   CYS  27          2HB       CYS  27  -3.432   3.633   1.166
  179   2HB   CYS  27          1HB       CYS  27  -4.322   5.089   0.720
  180    H    THR  28           H        THR  28  -6.121   4.888  -2.061
  181    HA   THR  28           HA       THR  28  -4.008   6.665  -3.222
  182    HB   THR  28           HB       THR  28  -5.729   6.382  -5.292
  183    HG1  THR  28           1HG      THR  28  -5.626   3.756  -4.384
  184   1HG2  THR  28          1HG2      THR  28  -4.129   4.267  -5.800
  185   2HG2  THR  28          2HG2      THR  28  -3.249   4.985  -4.451
  186   3HG2  THR  28          3HG2      THR  28  -3.570   5.937  -5.901
  187    H    ARG  29           H        ARG  29  -4.603   8.641  -2.349
  188    HA   ARG  29           HA       ARG  29  -7.465   9.303  -1.966
  189   1HB   ARG  29          2HB       ARG  29  -5.334   9.738  -0.445
  190   2HB   ARG  29          1HB       ARG  29  -5.164  11.166  -1.467
  191   1HG   ARG  29          2HG       ARG  29  -7.915  10.935  -0.716
  192   2HG   ARG  29          1HG       ARG  29  -6.932  10.786   0.742
  193   1HD   ARG  29          2HD       ARG  29  -5.755  12.867  -0.782
  194   2HD   ARG  29          1HD       ARG  29  -7.504  13.165  -0.785
  195    HE   ARG  29           HE       ARG  29  -6.907  12.410   1.837
  196   1HH1  ARG  29          1HH2      ARG  29  -4.306  13.861   1.050
  197   2HH1  ARG  29          2HH2      ARG  29  -4.645  15.456   1.634
  198   1HH2  ARG  29          1HH1      ARG  29  -8.047  14.895   1.979
  199   2HH2  ARG  29          2HH1      ARG  29  -6.762  16.041   2.163
  200    H    LYS  30           H        LYS  30  -8.589  10.524  -3.444
  201    HA   LYS  30           HA       LYS  30  -7.453  12.689  -4.960
  202   1HB   LYS  30          2HB       LYS  30  -7.540  11.505  -7.190
  203   2HB   LYS  30          1HB       LYS  30  -6.278  10.908  -6.114
  204   1HG   LYS  30          2HG       LYS  30  -7.996   9.157  -5.343
  205   2HG   LYS  30          1HG       LYS  30  -8.941   9.633  -6.755
  206   1HD   LYS  30          2HD       LYS  30  -6.187   9.235  -7.519
  207   2HD   LYS  30          1HD       LYS  30  -6.785   7.804  -6.680
  208   1HE   LYS  30          2HE       LYS  30  -7.450   7.375  -8.896
  209   2HE   LYS  30          1HE       LYS  30  -8.903   8.153  -8.238
  210   1HZ   LYS  30          1HZ       LYS  30  -7.574  10.304  -8.888
  211   2HZ   LYS  30          2HZ       LYS  30  -8.527   9.489 -10.035
  212   3HZ   LYS  30          3HZ       LYS  30  -6.844   9.260 -10.008
  213    H    GLY  31           H        GLY  31  -9.902  10.086  -5.141
  214   1HA   GLY  31          2HA       GLY  31 -12.069  12.025  -5.047
  215   2HA   GLY  31          1HA       GLY  31 -11.877  11.310  -6.651
  216    H    CYS  32           H        CYS  32 -14.231  10.772  -5.490
  217    HA   CYS  32           HA       CYS  32 -13.936   8.044  -4.285
  218   1HB   CYS  32          2HB       CYS  32 -15.344  10.380  -3.529
  219   2HB   CYS  32          1HB       CYS  32 -16.566   9.221  -4.064
  220    HA   PRO  33           HA       PRO  33 -15.642   7.031  -8.341
  221   1HB   PRO  33          2HB       PRO  33 -14.958   4.385  -8.214
  222   2HB   PRO  33          1HB       PRO  33 -13.808   5.655  -8.676
  223   1HG   PRO  33          2HG       PRO  33 -14.133   4.250  -6.076
  224   2HG   PRO  33          1HG       PRO  33 -12.657   4.781  -6.896
  225   1HD   PRO  33          2HD       PRO  33 -13.803   6.118  -4.802
  226   2HD   PRO  33          1HD       PRO  33 -12.786   6.894  -6.037
  227    HA   PRO  34           HA       PRO  34 -19.464   5.526  -6.686
  228   1HB   PRO  34          2HB       PRO  34 -20.718   4.999  -9.061
  229   2HB   PRO  34          1HB       PRO  34 -20.492   6.643  -8.433
  230   1HG   PRO  34          2HG       PRO  34 -18.956   5.189 -10.525
  231   2HG   PRO  34          1HG       PRO  34 -19.431   6.892 -10.452
  232   1HD   PRO  34          2HD       PRO  34 -16.921   5.997  -9.859
  233   2HD   PRO  34          1HD       PRO  34 -17.629   7.476  -9.172
  234    H    HIS  35           H        HIS  35 -17.490   3.699  -8.941
  235    HA   HIS  35           HA       HIS  35 -18.754   1.168  -7.935
  236   1HB   HIS  35          2HB       HIS  35 -18.079   2.210 -10.612
  237   2HB   HIS  35          1HB       HIS  35 -17.562   0.547 -10.335
  238    HD1  HIS  35           1HD      HIS  35 -19.536   0.019 -12.146
  239    HD2  HIS  35           2HD      HIS  35 -20.775   1.345  -8.393
  240    HE1  HIS  35           1HE      HIS  35 -21.990  -0.574 -11.951