*HEADER    RNA BINDING PROTEIN                     22-OCT-98   1BY0              
*TITLE     N-TERMINAL LEUCINE-REPEAT REGION OF HEPATITIS DELTA ANTIGEN           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPATITIS DELTA ANTIGEN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 24-50;                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: N-TERMINAL LEUCINE-REPEAT REGION OF                   
*COMPND   7 HEPATITIS DELTA ANTIGEN                                              
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED FROM           
*SOURCE   4 THE HEPATITIS D VIRUS                                                
*KEYWDS    HEPATITIS DELTA ANTIGEN, HELIX, NMR, SOLUTION STRUCTURE,              
*KEYWDS   2 RNA BINDING                                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.W.CHENG, I.J.LIN, Y.C.LOU                                           
*REVDAT   3   19-JAN-00 1BY0    1       JRNL                                     
*REVDAT   2   29-DEC-99 1BY0    4       HEADER COMPND REMARK JRNL                
*REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
*REVDAT   1   28-OCT-98 1BY0    0                                                


assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 2.70 0.90 0.90
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 2.70 0.90 0.90
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 2.70 0.90 0.90
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.30 0.50 0.50
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.30 0.50 0.50
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.30 0.50 0.50
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.30 0.50 0.50
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.30 0.50 0.50
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.30 0.50 0.50
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.30 0.50 0.50
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.30 0.50 0.50
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.30 0.50 0.50
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.30 0.50 0.50
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 2.30 0.50 0.50
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.30 0.50 0.50
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 2.30 0.50 0.50
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 2.30 0.50 0.50
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.30 0.50 0.50
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.30 0.50 0.50
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.30 0.50 0.50

remarks Group 2: HNi/HNi+2 
assign (resid    4 and  name HN   )(resid    6 and  name HN   ) 3.40 1.60 1.60
assign (resid    6 and  name HN   )(resid    8 and  name HN   ) 3.40 1.60 1.60
assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 3.40 1.60 1.60
assign (resid   10 and  name HN   )(resid   12 and  name HN   ) 3.40 1.60 1.60
assign (resid   11 and  name HN   )(resid   13 and  name HN   ) 3.40 1.60 1.60
assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 3.40 1.60 1.60
assign (resid   14 and  name HN   )(resid   16 and  name HN   ) 3.40 1.60 1.60
assign (resid   16 and  name HN   )(resid   18 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HN   )(resid   20 and  name HN   ) 3.40 1.60 1.60
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 3.40 1.60 1.60

remarks Group 3: HAi/HNi+1 
assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.30 0.50 0.50
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 2.30 0.50 0.50
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.30 0.50 0.50
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.70 0.90 0.90
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 2.70 0.90 0.90
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 2.70 0.90 0.90
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 2.70 0.90 0.90
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.40 1.60 1.60
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 2.70 0.90 0.90
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 3.40 1.60 1.60
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.70 0.90 0.90
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 2.70 0.90 0.90
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 2.70 0.90 0.90
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 2.70 0.90 0.90
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 2.70 0.90 0.90
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 2.70 0.90 0.90
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 2.70 0.90 0.90
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 2.70 0.90 0.90
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 2.70 0.90 0.90
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 2.70 0.90 0.90
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 2.70 0.90 0.90
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 2.70 0.90 0.90
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.70 0.90 0.90

remarks Group 3a: HAi/HNi+2  HAi/HNi+3  HAi/HNi+4
assign (resid    2 and  name HA   )(resid    5 and  name HN   ) 3.40 1.60 1.60
assign (resid    3 and  name HA   )(resid    6 and  name HN   ) 2.70 0.90 0.90
assign (resid    5 and  name HA   )(resid    8 and  name HN   ) 2.70 0.90 0.90
assign (resid    7 and  name HA   )(resid   10 and  name HN   ) 2.70 0.90 0.90
assign (resid    8 and  name HA   )(resid   11 and  name HN   ) 2.70 0.90 0.90
assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 2.70 0.90 0.90
assign (resid   12 and  name HA   )(resid   15 and  name HN   ) 2.70 0.90 0.90
assign (resid   15 and  name HA   )(resid   18 and  name HN   ) 2.70 0.90 0.90
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 2.70 0.90 0.90
assign (resid   19 and  name HA   )(resid   22 and  name HN   ) 2.70 0.90 0.90
assign (resid    2 and  name HA   )(resid    6 and  name HN   ) 3.40 1.60 1.60
assign (resid    6 and  name HA   )(resid   10 and  name HN   ) 3.40 1.60 1.60
assign (resid    8 and  name HA   )(resid   12 and  name HN   ) 3.40 1.60 1.60
assign (resid   10 and  name HA   )(resid   14 and  name HN   ) 3.40 1.60 1.60
assign (resid   14 and  name HA   )(resid   18 and  name HN   ) 3.40 1.60 1.60
assign (resid   15 and  name HA   )(resid   19 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HA   )(resid   22 and  name HN   ) 3.40 1.60 1.60
assign (resid    2 and  name HA   )(resid    4 and  name HN   ) 3.40 1.60 1.60
assign (resid    3 and  name HA   )(resid    5 and  name HN   ) 3.40 1.60 1.60
assign (resid    4 and  name HA   )(resid    6 and  name HN   ) 3.40 1.60 1.60
assign (resid    8 and  name HA   )(resid   10 and  name HN   ) 3.40 1.60 1.60
assign (resid   10 and  name HA   )(resid   12 and  name HN   ) 3.40 1.60 1.60
assign (resid   11 and  name HA   )(resid   13 and  name HN   ) 3.40 1.60 1.60
assign (resid   15 and  name HA   )(resid   17 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HA   )(resid   20 and  name HN   ) 3.40 1.60 1.60
assign (resid   23 and  name HA   )(resid   25 and  name HN   ) 3.40 1.60 1.60 
assign (resid   10 and  name HB1  )(resid   11 and  name HN   ) 2.70 0.90 0.90
assign (resid   10 and  name HB2  )(resid   11 and  name HN   ) 2.70 0.90 0.90
assign (resid   24 and  name HB1  )(resid   25 and  name HN   ) 3.40 1.60 1.60
assign (resid   24 and  name HB2  )(resid   25 and  name HN   ) 3.40 1.60 1.60
assign (resid   24 and  name HB*  )(resid   23 and  name HN   ) 3.40 1.60 1.60
assign (resid   26 and  name HD*  )(resid   25 and  name HN   ) 3.40 1.60 1.60
assign (resid   26 and  name HD*  )(resid   27 and  name HN   ) 3.40 1.60 1.60
assign (resid   25 and  name HB*  )(resid   27 and  name HN   ) 3.40 1.60 1.60
assign (resid    6 and  name HG*  )(resid    7 and  name HN   ) 3.40 1.60 1.60
assign (resid    5 and  name HG*  )(resid    4 and  name HN   ) 3.40 1.60 1.60
assign (resid    8 and  name HG*  )(resid    9 and  name HN   ) 3.40 1.60 1.60
assign (resid   12 and  name HB*  )(resid   11 and  name HN   ) 3.40 1.60 1.60
assign (resid   17 and  name HB*  )(resid   18 and  name HN   ) 2.30 0.50 0.50
assign (resid   14 and  name HB*  )(resid   15 and  name HN   ) 3.40 1.60 1.60
assign (resid    7 and  name HB*  )(resid    8 and  name HN   ) 2.70 0.90 0.90
assign (resid   21 and  name HB*  )(resid   22 and  name HN   ) 2.70 0.90 0.90
assign (resid   21 and  name HG   )(resid   22 and  name HN   ) 2.70 0.90 0.90
assign (resid    9 and  name HB*  )(resid   10 and  name HN   ) 2.30 0.50 0.50
assign (resid    9 and  name HG*  )(resid   10 and  name HN   ) 3.40 1.60 1.60
assign (resid   13 and  name HB*  )(resid   14 and  name HN   ) 2.70 0.90 0.90
assign (resid   20 and  name HB*  )(resid   21 and  name HN   ) 3.40 1.60 1.60
assign (resid    4 and  name HB*  )(resid    5 and  name HN   ) 2.70 0.90 0.90
assign (resid    8 and  name HB*  )(resid    9 and  name HN   ) 3.40 1.60 1.60
assign (resid    6 and  name HB*  )(resid    7 and  name HN   ) 2.30 0.50 0.50
assign (resid   16 and  name HB*  )(resid   17 and  name HN   ) 2.70 0.90 0.90
assign (resid   11 and  name HD*  )(resid   12 and  name HN   ) 2.70 0.90 0.90
assign (resid   21 and  name HD*  )(resid   22 and  name HN   ) 2.70 0.90 0.90
assign (resid   26 and  name HB1  )(resid   27 and  name HN   ) 2.70 0.90 0.90
assign (resid   26 and  name HB2  )(resid   27 and  name HN   ) 2.70 0.90 0.90
assign (resid   26 and  name HG*  )(resid   27 and  name HN   ) 2.70 0.90 0.90
assign (resid   18 and  name HG1* )(resid   19 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HG2* )(resid   19 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HD*  )(resid   19 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HG2* )(resid   17 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HD*  )(resid   15 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HG2* )(resid   15 and  name HN   ) 3.40 1.60 1.60
assign (resid    1 and  name HB*  )(resid    2 and  name HN   ) 3.40 1.60 1.60
assign (resid    6 and  name HB*  )(resid    3 and  name HN   ) 3.40 1.60 1.60
assign (resid    4 and  name HD*  )(resid    8 and  name HN   ) 3.40 1.60 1.60
assign (resid    7 and  name HD*  )(resid   10 and  name HN   ) 3.40 1.60 1.60
assign (resid    4 and  name HD*  )(resid    5 and  name HN   ) 3.40 1.60 1.60
assign (resid   18 and  name HG2* )(resid   20 and  name HN   ) 3.40 1.60 1.60
assign (resid   26 and  name HD1  )(resid   25 and  name HA   ) 2.70 0.90 0.90
assign (resid   26 and  name HD2  )(resid   25 and  name HA   ) 2.70 0.90 0.90
assign (resid   13 and  name HD*  )(resid   10 and  name HA   ) 2.70 0.90 0.90
assign (resid   13 and  name HB1  )(resid   10 and  name HA   ) 2.70 0.90 0.90
assign (resid   13 and  name HB2  )(resid   10 and  name HA   ) 2.70 0.90 0.90
assign (resid   10 and  name HB1  )(resid    7 and  name HA   ) 2.70 0.90 0.90
assign (resid   10 and  name HB2  )(resid    7 and  name HA   ) 2.70 0.90 0.90
assign (resid   18 and  name HG2* )(resid   15 and  name HA   ) 2.70 0.90 0.90
assign (resid   18 and  name HG1* )(resid   15 and  name HA   ) 3.40 1.60 1.60
assign (resid   18 and  name HD1* )(resid   15 and  name HA   ) 2.70 0.90 0.90
assign (resid   21 and  name HG   )(resid   18 and  name HA   ) 2.70 0.90 0.90
assign (resid   21 and  name HB*  )(resid   18 and  name HA   ) 3.40 1.60 1.60
assign (resid   25 and  name HB*  )(resid   26 and  name HD*  ) 3.40 1.60 1.60
assign (resid   23 and  name HB*  )(resid   24 and  name HN   ) 2.70 0.90 0.90
assign (resid    4 and  name HA   )(resid    7 and  name HN   ) 3.40 1.60 1.60
assign (resid    6 and  name HA   )(resid    9 and  name HN   ) 3.40 1.60 1.60
assign (resid    9 and  name HA   )(resid   12 and  name HN   ) 3.40 1.60 1.60
assign (resid   11 and  name HA   )(resid   14 and  name HN   ) 3.40 1.60 1.60
assign (resid   13 and  name HA   )(resid   16 and  name HN   ) 3.40 1.60 1.60
assign (resid   14 and  name HA   )(resid   17 and  name HN   ) 3.40 1.60 1.60
assign (resid   16 and  name HA   )(resid   19 and  name HN   ) 3.40 1.60 1.60
assign (resid   17 and  name HA   )(resid   20 and  name HN   ) 3.40 1.60 1.60
assign (resid   20 and  name HA   )(resid   23 and  name HN   ) 3.40 1.60 1.60
assign (resid    4 and  name HA   )(resid    8 and  name HN   ) 3.40 1.60 1.60
assign (resid    5 and  name HA   )(resid    9 and  name HN   ) 3.40 1.60 1.60
assign (resid    6 and  name HA   )(resid   10 and  name HN   ) 3.40 1.60 1.60
assign (resid    7 and  name HA   )(resid   11 and  name HN   ) 3.40 1.60 1.60
assign (resid    9 and  name HA   )(resid   13 and  name HN   ) 3.40 1.60 1.60
assign (resid   13 and  name HA   )(resid   17 and  name HN   ) 3.40 1.60 1.60
assign (resid   16 and  name HA   )(resid   20 and  name HN   ) 3.40 1.60 1.60
assign (resid   17 and  name HA   )(resid   21 and  name HN   ) 3.40 1.60 1.60
assign (resid   19 and  name HA   )(resid   23 and  name HN   ) 3.40 1.60 1.60

remarks : Intraresidue constraints 
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 2.70 0.90 0.90
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 2.30 0.50 0.50
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 2.30 0.50 0.50
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.30 0.50 0.50
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.30 0.50 0.50
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 2.30 0.50 0.50
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 2.30 0.50 0.50
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.30 0.50 0.50
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.30 0.50 0.50
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.30 0.50 0.50
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.30 0.50 0.50
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.30 0.50 0.50
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.30 0.50 0.50
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.30 0.50 0.50
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.30 0.50 0.50
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.30 0.50 0.50
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.30 0.50 0.50
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 2.30 0.50 0.50
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 2.30 0.50 0.50
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 2.30 0.50 0.50
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.30 0.50 0.50
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 2.30 0.50 0.50
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.40 1.60 1.60
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 3.40 1.60 1.60
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 2.70 0.90 0.90
assign (resid    2 and  name HN   )(resid    2 and  name HB*  ) 2.70 0.90 0.90
assign (resid    2 and  name HN   )(resid    2 and  name HG*  ) 3.40 1.60 1.60
assign (resid    2 and  name HN   )(resid    2 and  name HD*  ) 3.40 1.60 1.60
assign (resid    3 and  name HN   )(resid    3 and  name HB*  ) 2.30 0.50 0.50
assign (resid    3 and  name HN   )(resid    3 and  name HG*  ) 3.40 1.60 1.60
assign (resid    3 and  name HN   )(resid    3 and  name HD*  ) 3.40 1.60 1.60
assign (resid    4 and  name HN   )(resid    4 and  name HB*  ) 2.30 0.50 0.50
assign (resid    4 and  name HN   )(resid    4 and  name HD*  ) 3.40 1.60 1.60
assign (resid    5 and  name HN   )(resid    5 and  name HB*  ) 2.30 0.50 0.50
assign (resid    5 and  name HN   )(resid    5 and  name HG*  ) 2.70 0.90 0.90
assign (resid    6 and  name HN   )(resid    6 and  name HB*  ) 2.30 0.50 0.50
assign (resid    6 and  name HN   )(resid    6 and  name HG*  ) 2.70 0.90 0.90
assign (resid    7 and  name HN   )(resid    7 and  name HB*  ) 2.30 0.50 0.50
assign (resid    7 and  name HN   )(resid    7 and  name HG*  ) 2.70 0.90 0.90
assign (resid    7 and  name HN   )(resid    7 and  name HD*  ) 3.40 1.60 1.60
assign (resid    8 and  name HN   )(resid    8 and  name HB*  ) 2.70 0.90 0.90
assign (resid    8 and  name HN   )(resid    8 and  name HG*  ) 2.70 0.90 0.90
assign (resid    9 and  name HN   )(resid    9 and  name HB*  ) 2.30 0.50 0.50
assign (resid    9 and  name HN   )(resid    9 and  name HG*  ) 2.70 0.90 0.90
assign (resid    9 and  name HN   )(resid    9 and  name HD*  ) 3.40 1.60 1.60
assign (resid   10 and  name HN   )(resid   10 and  name HB*  ) 2.70 0.90 0.90
assign (resid   11 and  name HN   )(resid   11 and  name HB*  ) 2.30 0.50 0.50
assign (resid   11 and  name HN   )(resid   11 and  name HG*  ) 2.30 0.50 0.50
assign (resid   11 and  name HN   )(resid   11 and  name HD*  ) 3.40 1.60 1.60
assign (resid   12 and  name HN   )(resid   12 and  name HB*  ) 2.30 0.50 0.50
assign (resid   12 and  name HN   )(resid   12 and  name HG*  ) 2.70 0.90 0.90
assign (resid   12 and  name HN   )(resid   12 and  name HD*  ) 3.40 1.60 1.60
assign (resid   13 and  name HN   )(resid   13 and  name HB*  ) 2.30 0.50 0.50
assign (resid   13 and  name HN   )(resid   13 and  name HG*  ) 3.40 1.60 1.60
assign (resid   14 and  name HN   )(resid   14 and  name HB*  ) 2.30 0.50 0.50
assign (resid   14 and  name HN   )(resid   14 and  name HD*  ) 3.40 1.60 1.60
assign (resid   15 and  name HN   )(resid   15 and  name HB*  ) 2.30 0.50 0.50
assign (resid   15 and  name HN   )(resid   15 and  name HG*  ) 3.40 1.60 1.60
assign (resid   16 and  name HN   )(resid   16 and  name HB*  ) 2.30 0.50 0.50
assign (resid   16 and  name HN   )(resid   16 and  name HG*  ) 2.70 0.90 0.90
assign (resid   17 and  name HN   )(resid   17 and  name HB*  ) 2.30 0.50 0.50
assign (resid   17 and  name HN   )(resid   17 and  name HG*  ) 3.40 1.60 1.60
assign (resid   18 and  name HN   )(resid   18 and  name HB*  ) 2.30 0.50 0.50
assign (resid   18 and  name HN   )(resid   18 and  name HG1* ) 3.00 1.00 1.00
assign (resid   18 and  name HN   )(resid   18 and  name HG2* ) 2.70 0.90 0.90
assign (resid   18 and  name HN   )(resid   18 and  name HD*  ) 3.40 1.60 1.60
assign (resid   19 and  name HN   )(resid   19 and  name HB*  ) 2.30 0.50 0.50
assign (resid   19 and  name HN   )(resid   19 and  name HG*  ) 3.40 1.60 1.60
assign (resid   19 and  name HN   )(resid   19 and  name HD*  ) 3.40 1.60 1.60
assign (resid   20 and  name HN   )(resid   20 and  name HB*  ) 2.30 0.50 0.50
assign (resid   20 and  name HN   )(resid   20 and  name HG*  ) 3.40 1.60 1.60
assign (resid   21 and  name HN   )(resid   21 and  name HB*  ) 2.30 0.50 0.50
assign (resid   21 and  name HN   )(resid   21 and  name HG*  ) 2.70 0.90 0.90
assign (resid   21 and  name HN   )(resid   21 and  name HD*  ) 3.40 1.60 1.60
assign (resid   22 and  name HN   )(resid   22 and  name HB*  ) 2.70 0.90 0.90
assign (resid   22 and  name HN   )(resid   22 and  name HG*  ) 2.70 0.90 0.90
assign (resid   23 and  name HN   )(resid   23 and  name HB*  ) 2.30 0.50 0.50
assign (resid   23 and  name HN   )(resid   23 and  name HG*  ) 3.40 1.60 1.60
assign (resid   24 and  name HN   )(resid   24 and  name HB*  ) 2.70 0.90 0.90
assign (resid   25 and  name HN   )(resid   25 and  name HB*  ) 2.30 0.50 0.50
assign (resid   27 and  name HN   )(resid   27 and  name HB*  ) 2.70 0.90 0.90
assign (resid   26 and  name HA   )(resid   26 and  name HB*  ) 2.70 0.90 0.90
assign (resid   26 and  name HD*  )(resid   26 and  name HB*  ) 3.40 1.60 1.60
assign (resid   26 and  name HD*  )(resid   26 and  name HG*  ) 2.70 0.90 0.90



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1H        ARG   1  -4.231  21.597   2.737
    2   2H    ARG   1          2H        ARG   1  -4.419  22.733   1.488
    3   3H    ARG   1          3H        ARG   1  -5.386  22.829   2.881
    4    HA   ARG   1           HA       ARG   1  -6.556  20.858   2.331
    5   1HB   ARG   1          1HB       ARG   1  -6.156  22.708  -0.037
    6   2HB   ARG   1          2HB       ARG   1  -7.421  21.480   0.037
    7   1HG   ARG   1          1HG       ARG   1  -8.628  23.210   0.929
    8   2HG   ARG   1          2HG       ARG   1  -7.838  22.687   2.417
    9   1HD   ARG   1          1HD       ARG   1  -6.482  24.520   2.496
   10   2HD   ARG   1          2HD       ARG   1  -6.268  24.558   0.746
   11    HE   ARG   1           HE       ARG   1  -8.953  25.334   1.589
   12   1HH1  ARG   1          1HH2      ARG   1  -6.801  27.084   2.952
   13   2HH1  ARG   1          2HH2      ARG   1  -6.717  28.404   1.833
   14   1HH2  ARG   1          1HH1      ARG   1  -8.382  26.715  -0.697
   15   2HH2  ARG   1          2HH1      ARG   1  -7.616  28.197  -0.232
   16    H    LYS   2           H        LYS   2  -4.201  19.606   2.375
   17    HA   LYS   2           HA       LYS   2  -3.509  18.660  -0.332
   18   1HB   LYS   2          1HB       LYS   2  -1.873  19.073   1.673
   19   2HB   LYS   2          2HB       LYS   2  -2.414  17.482   2.210
   20   1HG   LYS   2          1HG       LYS   2  -0.502  17.045   0.873
   21   2HG   LYS   2          2HG       LYS   2  -1.874  16.680  -0.174
   22   1HD   LYS   2          1HD       LYS   2  -0.980  18.121  -1.662
   23   2HD   LYS   2          2HD       LYS   2  -1.440  19.411  -0.553
   24   1HE   LYS   2          1HE       LYS   2   0.849  19.796  -0.789
   25   2HE   LYS   2          2HE       LYS   2   0.808  18.788   0.658
   26   1HZ   LYS   2          1HZ       LYS   2   0.853  17.056  -1.496
   27   2HZ   LYS   2          2HZ       LYS   2   2.008  18.253  -1.847
   28   3HZ   LYS   2          3HZ       LYS   2   2.111  17.366  -0.402
   29    H    LYS   3           H        LYS   3  -6.171  18.067   0.398
   30    HA   LYS   3           HA       LYS   3  -6.288  15.357   1.387
   31   1HB   LYS   3          1HB       LYS   3  -8.612  15.598   1.324
   32   2HB   LYS   3          2HB       LYS   3  -8.079  17.262   1.544
   33   1HG   LYS   3          1HG       LYS   3  -8.289  17.700  -0.839
   34   2HG   LYS   3          2HG       LYS   3  -8.680  16.008  -1.150
   35   1HD   LYS   3          1HD       LYS   3 -10.738  17.343  -1.104
   36   2HD   LYS   3          2HD       LYS   3 -10.707  16.235   0.269
   37   1HE   LYS   3          1HE       LYS   3  -9.396  18.722   0.958
   38   2HE   LYS   3          2HE       LYS   3 -11.024  19.034   0.358
   39   1HZ   LYS   3          1HZ       LYS   3 -11.422  16.912   1.941
   40   2HZ   LYS   3          2HZ       LYS   3 -10.172  17.703   2.777
   41   3HZ   LYS   3          3HZ       LYS   3 -11.618  18.524   2.440
   42    H    LEU   4           H        LEU   4  -5.003  16.348  -1.253
   43    HA   LEU   4           HA       LEU   4  -6.318  14.565  -3.180
   44   1HB   LEU   4          1HB       LEU   4  -5.476  16.793  -3.922
   45   2HB   LEU   4          2HB       LEU   4  -3.839  16.279  -3.509
   46    HG   LEU   4           HG       LEU   4  -4.609  16.030  -5.978
   47   1HD1  LEU   4          1HD1      LEU   4  -2.628  14.912  -4.675
   48   2HD1  LEU   4          2HD1      LEU   4  -3.615  13.455  -4.787
   49   3HD1  LEU   4          3HD1      LEU   4  -3.086  14.276  -6.256
   50   1HD2  LEU   4          1HD2      LEU   4  -6.794  14.974  -5.381
   51   2HD2  LEU   4          2HD2      LEU   4  -5.834  13.972  -6.469
   52   3HD2  LEU   4          3HD2      LEU   4  -5.915  13.581  -4.750
   53    H    GLU   5           H        GLU   5  -2.917  15.043  -2.161
   54    HA   GLU   5           HA       GLU   5  -2.123  12.396  -2.907
   55   1HB   GLU   5          1HB       GLU   5  -0.877  14.364  -0.965
   56   2HB   GLU   5          2HB       GLU   5  -0.073  12.940  -1.624
   57   1HG   GLU   5          1HG       GLU   5  -0.992  14.170  -3.903
   58   2HG   GLU   5          2HG       GLU   5  -0.590  15.551  -2.881
   59    H    GLU   6           H        GLU   6  -3.414  13.868  -0.001
   60    HA   GLU   6           HA       GLU   6  -2.836  11.823   1.878
   61   1HB   GLU   6          1HB       GLU   6  -4.599  14.136   1.693
   62   2HB   GLU   6          2HB       GLU   6  -5.375  12.802   2.548
   63   1HG   GLU   6          1HG       GLU   6  -2.560  13.219   3.304
   64   2HG   GLU   6          2HG       GLU   6  -3.611  14.582   3.690
   65    H    LEU   7           H        LEU   7  -5.921  12.351   0.127
   66    HA   LEU   7           HA       LEU   7  -7.049   9.832   0.771
   67   1HB   LEU   7          1HB       LEU   7  -7.542  11.943  -1.265
   68   2HB   LEU   7          2HB       LEU   7  -8.206  10.347  -1.614
   69    HG   LEU   7           HG       LEU   7  -9.545  12.151  -0.156
   70   1HD1  LEU   7          1HD1      LEU   7  -9.397   9.167   0.356
   71   2HD1  LEU   7          2HD1      LEU   7 -10.709  10.206   0.911
   72   3HD1  LEU   7          3HD1      LEU   7 -10.431   9.984  -0.816
   73   1HD2  LEU   7          1HD2      LEU   7  -7.500  11.981   1.505
   74   2HD2  LEU   7          2HD2      LEU   7  -9.142  12.062   2.143
   75   3HD2  LEU   7          3HD2      LEU   7  -8.313  10.509   2.038
   76    H    GLU   8           H        GLU   8  -4.752  10.775  -1.722
   77    HA   GLU   8           HA       GLU   8  -4.940   8.628  -3.505
   78   1HB   GLU   8          1HB       GLU   8  -2.836  10.487  -2.660
   79   2HB   GLU   8          2HB       GLU   8  -2.197   8.922  -3.168
   80   1HG   GLU   8          1HG       GLU   8  -4.200   9.554  -5.043
   81   2HG   GLU   8          2HG       GLU   8  -3.300  11.052  -4.794
   82    H    ARG   9           H        ARG   9  -3.316   8.759  -0.351
   83    HA   ARG   9           HA       ARG   9  -2.368   6.046  -0.430
   84   1HB   ARG   9          1HB       ARG   9  -2.442   8.242   1.489
   85   2HB   ARG   9          2HB       ARG   9  -2.756   6.686   2.259
   86   1HG   ARG   9          1HG       ARG   9  -0.705   5.923   0.740
   87   2HG   ARG   9          2HG       ARG   9  -0.301   7.638   0.839
   88   1HD   ARG   9          1HD       ARG   9   0.038   7.567   3.135
   89   2HD   ARG   9          2HD       ARG   9  -1.049   6.197   3.357
   90    HE   ARG   9           HE       ARG   9   1.686   5.932   2.169
   91   1HH1  ARG   9          1HH1      ARG   9  -1.141   4.327   3.060
   92   2HH1  ARG   9          2HH1      ARG   9  -0.348   3.050   3.920
   93   1HH2  ARG   9          1HH2      ARG   9   2.796   4.495   3.697
   94   2HH2  ARG   9          2HH2      ARG   9   1.881   3.145   4.282
   95    H    ASP  10           H        ASP  10  -5.264   7.601   0.926
   96    HA   ASP  10           HA       ASP  10  -6.442   5.401   2.204
   97   1HB   ASP  10          1HB       ASP  10  -7.418   7.898   0.962
   98   2HB   ASP  10          2HB       ASP  10  -8.620   6.612   1.074
   99    H    LEU  11           H        LEU  11  -6.164   6.076  -1.243
  100    HA   LEU  11           HA       LEU  11  -8.084   4.084  -2.054
  101   1HB   LEU  11          1HB       LEU  11  -7.565   4.709  -4.209
  102   2HB   LEU  11          2HB       LEU  11  -6.935   6.121  -3.365
  103    HG   LEU  11           HG       LEU  11  -4.715   4.763  -3.236
  104   1HD1  LEU  11          1HD1      LEU  11  -6.415   2.963  -4.691
  105   2HD1  LEU  11          2HD1      LEU  11  -5.107   3.490  -5.752
  106   3HD1  LEU  11          3HD1      LEU  11  -4.737   2.729  -4.204
  107   1HD2  LEU  11          1HD2      LEU  11  -5.877   6.000  -5.739
  108   2HD2  LEU  11          2HD2      LEU  11  -4.803   6.746  -4.557
  109   3HD2  LEU  11          3HD2      LEU  11  -4.189   5.497  -5.639
  110    H    ARG  12           H        ARG  12  -4.583   4.130  -1.568
  111    HA   ARG  12           HA       ARG  12  -4.176   1.424  -2.477
  112   1HB   ARG  12          1HB       ARG  12  -2.585   3.589  -1.271
  113   2HB   ARG  12          2HB       ARG  12  -2.064   1.967  -0.810
  114   1HG   ARG  12          1HG       ARG  12  -1.839   1.312  -3.129
  115   2HG   ARG  12          2HG       ARG  12  -2.551   2.832  -3.671
  116   1HD   ARG  12          1HD       ARG  12  -0.565   3.865  -2.230
  117   2HD   ARG  12          2HD       ARG  12   0.179   2.303  -2.569
  118    HE   ARG  12           HE       ARG  12  -0.850   4.029  -4.782
  119   1HH1  ARG  12          1HH2      ARG  12   1.955   4.579  -3.837
  120   2HH1  ARG  12          2HH2      ARG  12   2.890   3.574  -4.893
  121   1HH2  ARG  12          1HH1      ARG  12   0.180   1.659  -5.901
  122   2HH2  ARG  12          2HH1      ARG  12   1.885   1.920  -6.062
  123    H    LYS  13           H        LYS  13  -5.170   2.913   0.506
  124    HA   LYS  13           HA       LYS  13  -4.457   0.916   2.373
  125   1HB   LYS  13          1HB       LYS  13  -5.638   3.232   2.716
  126   2HB   LYS  13          2HB       LYS  13  -7.123   2.299   2.529
  127   1HG   LYS  13          1HG       LYS  13  -6.449   0.808   4.352
  128   2HG   LYS  13          2HG       LYS  13  -4.922   1.673   4.518
  129   1HD   LYS  13          1HD       LYS  13  -5.879   3.400   5.645
  130   2HD   LYS  13          2HD       LYS  13  -7.318   3.392   4.624
  131   1HE   LYS  13          1HE       LYS  13  -8.351   1.688   5.879
  132   2HE   LYS  13          2HE       LYS  13  -6.829   1.178   6.609
  133   1HZ   LYS  13          1HZ       LYS  13  -6.988   3.737   7.391
  134   2HZ   LYS  13          2HZ       LYS  13  -8.627   3.306   7.381
  135   3HZ   LYS  13          3HZ       LYS  13  -7.523   2.420   8.320
  136    H    LEU  14           H        LEU  14  -7.237   1.110   0.172
  137    HA   LEU  14           HA       LEU  14  -8.557  -1.219   1.200
  138   1HB   LEU  14          1HB       LEU  14  -8.774   0.480  -1.238
  139   2HB   LEU  14          2HB       LEU  14  -9.448  -1.148  -1.337
  140    HG   LEU  14           HG       LEU  14 -10.064   0.528   1.069
  141   1HD1  LEU  14          1HD1      LEU  14 -10.651   1.340  -1.607
  142   2HD1  LEU  14          2HD1      LEU  14 -12.158   0.804  -0.861
  143   3HD1  LEU  14          3HD1      LEU  14 -11.201   2.076  -0.102
  144   1HD2  LEU  14          1HD2      LEU  14 -10.795  -2.004   0.081
  145   2HD2  LEU  14          2HD2      LEU  14 -11.517  -1.155   1.449
  146   3HD2  LEU  14          3HD2      LEU  14 -12.214  -0.984  -0.162
  147    H    LYS  15           H        LYS  15  -6.756  -0.819  -1.868
  148    HA   LYS  15           HA       LYS  15  -6.554  -3.481  -2.629
  149   1HB   LYS  15          1HB       LYS  15  -5.157  -1.052  -3.228
  150   2HB   LYS  15          2HB       LYS  15  -3.971  -2.343  -3.031
  151   1HG   LYS  15          1HG       LYS  15  -4.514  -2.659  -5.256
  152   2HG   LYS  15          2HG       LYS  15  -5.728  -3.696  -4.507
  153   1HD   LYS  15          1HD       LYS  15  -7.373  -1.877  -4.602
  154   2HD   LYS  15          2HD       LYS  15  -6.162  -0.800  -5.296
  155   1HE   LYS  15          1HE       LYS  15  -5.912  -2.487  -7.183
  156   2HE   LYS  15          2HE       LYS  15  -7.346  -3.290  -6.541
  157   1HZ   LYS  15          1HZ       LYS  15  -8.089  -0.693  -6.637
  158   2HZ   LYS  15          2HZ       LYS  15  -7.128  -0.842  -8.030
  159   3HZ   LYS  15          3HZ       LYS  15  -8.468  -1.861  -7.807
  160    H    LYS  16           H        LYS  16  -4.883  -1.867   0.002
  161    HA   LYS  16           HA       LYS  16  -2.809  -3.729   0.472
  162   1HB   LYS  16          1HB       LYS  16  -4.270  -1.725   2.083
  163   2HB   LYS  16          2HB       LYS  16  -3.519  -3.023   3.011
  164   1HG   LYS  16          1HG       LYS  16  -1.521  -2.432   1.252
  165   2HG   LYS  16          2HG       LYS  16  -2.260  -0.844   1.459
  166   1HD   LYS  16          1HD       LYS  16  -1.683  -0.713   3.681
  167   2HD   LYS  16          2HD       LYS  16  -1.808  -2.455   3.923
  168   1HE   LYS  16          1HE       LYS  16   0.326  -1.586   2.065
  169   2HE   LYS  16          2HE       LYS  16   0.563  -1.133   3.754
  170   1HZ   LYS  16          1HZ       LYS  16  -0.373  -3.798   3.559
  171   2HZ   LYS  16          2HZ       LYS  16   1.018  -3.602   2.604
  172   3HZ   LYS  16          3HZ       LYS  16   1.058  -3.218   4.259
  173    H    LYS  17           H        LYS  17  -6.159  -3.737   1.685
  174    HA   LYS  17           HA       LYS  17  -5.769  -6.390   2.864
  175   1HB   LYS  17          1HB       LYS  17  -7.301  -4.294   3.621
  176   2HB   LYS  17          2HB       LYS  17  -8.488  -5.226   2.707
  177   1HG   LYS  17          1HG       LYS  17  -8.489  -6.954   4.210
  178   2HG   LYS  17          2HG       LYS  17  -6.774  -6.769   4.578
  179   1HD   LYS  17          1HD       LYS  17  -7.534  -5.877   6.534
  180   2HD   LYS  17          2HD       LYS  17  -7.765  -4.423   5.561
  181   1HE   LYS  17          1HE       LYS  17 -10.080  -4.967   5.166
  182   2HE   LYS  17          2HE       LYS  17  -9.886  -6.559   5.899
  183   1HZ   LYS  17          1HZ       LYS  17  -9.043  -5.006   7.879
  184   2HZ   LYS  17          2HZ       LYS  17 -10.164  -3.956   7.158
  185   3HZ   LYS  17          3HZ       LYS  17 -10.663  -5.486   7.700
  186    H    ILE  18           H        ILE  18  -7.936  -4.972   0.371
  187    HA   ILE  18           HA       ILE  18  -9.110  -7.395  -0.434
  188    HB   ILE  18           HB       ILE  18 -10.234  -5.572  -1.255
  189   1HG1  ILE  18          1HG1      ILE  18  -9.082  -7.134  -3.148
  190   2HG1  ILE  18          2HG1      ILE  18 -10.257  -5.870  -3.495
  191   1HG2  ILE  18          1HG2      ILE  18  -7.509  -4.370  -1.435
  192   2HG2  ILE  18          2HG2      ILE  18  -8.787  -3.686  -2.440
  193   3HG2  ILE  18          3HG2      ILE  18  -8.971  -3.731  -0.689
  194   1HD1  ILE  18          1HD1      ILE  18  -7.346  -5.159  -3.324
  195   2HD1  ILE  18          2HD1      ILE  18  -7.963  -5.908  -4.796
  196   3HD1  ILE  18          3HD1      ILE  18  -8.629  -4.372  -4.239
  197    H    LYS  19           H        LYS  19  -6.310  -5.655  -1.864
  198    HA   LYS  19           HA       LYS  19  -5.723  -7.558  -3.872
  199   1HB   LYS  19          1HB       LYS  19  -4.622  -5.292  -3.558
  200   2HB   LYS  19          2HB       LYS  19  -3.650  -6.027  -2.282
  201   1HG   LYS  19          1HG       LYS  19  -3.393  -7.831  -4.364
  202   2HG   LYS  19          2HG       LYS  19  -3.388  -6.270  -5.187
  203   1HD   LYS  19          1HD       LYS  19  -1.379  -5.679  -4.313
  204   2HD   LYS  19          2HD       LYS  19  -1.781  -6.326  -2.722
  205   1HE   LYS  19          1HE       LYS  19  -1.033  -8.464  -3.249
  206   2HE   LYS  19          2HE       LYS  19  -1.283  -8.237  -4.980
  207   1HZ   LYS  19          1HZ       LYS  19   0.540  -6.391  -4.569
  208   2HZ   LYS  19          2HZ       LYS  19   0.969  -7.440  -3.304
  209   3HZ   LYS  19          3HZ       LYS  19   0.954  -8.004  -4.902
  210    H    LYS  20           H        LYS  20  -5.138  -7.600  -0.426
  211    HA   LYS  20           HA       LYS  20  -3.197  -9.697  -0.365
  212   1HB   LYS  20          1HB       LYS  20  -4.723  -8.181   1.527
  213   2HB   LYS  20          2HB       LYS  20  -4.877  -9.891   1.928
  214   1HG   LYS  20          1HG       LYS  20  -2.199  -9.680   1.317
  215   2HG   LYS  20          2HG       LYS  20  -2.527  -8.135   2.104
  216   1HD   LYS  20          1HD       LYS  20  -2.439  -9.186   4.091
  217   2HD   LYS  20          2HD       LYS  20  -3.883 -10.088   3.630
  218   1HE   LYS  20          1HE       LYS  20  -1.019 -10.890   3.041
  219   2HE   LYS  20          2HE       LYS  20  -2.088 -11.646   4.223
  220   1HZ   LYS  20          1HZ       LYS  20  -2.779 -11.452   1.351
  221   2HZ   LYS  20          2HZ       LYS  20  -1.917 -12.769   1.992
  222   3HZ   LYS  20          3HZ       LYS  20  -3.489 -12.441   2.536
  223    H    LEU  21           H        LEU  21  -6.759  -9.747  -0.180
  224    HA   LEU  21           HA       LEU  21  -7.036 -12.556   0.151
  225   1HB   LEU  21          1HB       LEU  21  -9.302 -12.208  -0.200
  226   2HB   LEU  21          2HB       LEU  21  -8.790 -10.579   0.232
  227    HG   LEU  21           HG       LEU  21  -8.415 -10.282  -2.335
  228   1HD1  LEU  21          1HD1      LEU  21  -9.761 -12.900  -2.133
  229   2HD1  LEU  21          2HD1      LEU  21 -10.493 -11.786  -3.287
  230   3HD1  LEU  21          3HD1      LEU  21  -8.794 -12.232  -3.447
  231   1HD2  LEU  21          1HD2      LEU  21 -11.018 -10.349  -0.835
  232   2HD2  LEU  21          2HD2      LEU  21 -10.089  -8.953  -1.387
  233   3HD2  LEU  21          3HD2      LEU  21 -11.005  -9.918  -2.544
  234    H    GLU  22           H        GLU  22  -6.714 -10.554  -2.742
  235    HA   GLU  22           HA       GLU  22  -7.060 -12.800  -4.553
  236   1HB   GLU  22          1HB       GLU  22  -6.471  -9.894  -4.804
  237   2HB   GLU  22          2HB       GLU  22  -5.931 -10.932  -6.124
  238   1HG   GLU  22          1HG       GLU  22  -8.321 -11.932  -6.041
  239   2HG   GLU  22          2HG       GLU  22  -8.737 -10.490  -5.113
  240    H    GLU  23           H        GLU  23  -4.580 -11.881  -2.529
  241    HA   GLU  23           HA       GLU  23  -2.249 -12.180  -4.116
  242   1HB   GLU  23          1HB       GLU  23  -2.646 -11.601  -1.525
  243   2HB   GLU  23          2HB       GLU  23  -2.240 -13.309  -1.356
  244   1HG   GLU  23          1HG       GLU  23  -0.352 -12.401  -3.167
  245   2HG   GLU  23          2HG       GLU  23  -0.513 -11.046  -2.049
  246    H    ASP  24           H        ASP  24  -1.037 -14.428  -2.592
  247    HA   ASP  24           HA       ASP  24  -0.823 -16.767  -2.751
  248   1HB   ASP  24          1HB       ASP  24  -3.348 -16.611  -2.187
  249   2HB   ASP  24          2HB       ASP  24  -3.607 -16.862  -3.914
  250    H    ASN  25           H        ASN  25   0.432 -15.485  -4.687
  251    HA   ASN  25           HA       ASN  25  -0.546 -16.507  -7.303
  252   1HB   ASN  25          1HB       ASN  25   1.291 -14.331  -6.425
  253   2HB   ASN  25          2HB       ASN  25   1.655 -15.114  -7.962
  254   1HD2  ASN  25          2HD2      ASN  25  -0.480 -12.874  -6.373
  255   2HD2  ASN  25          1HD2      ASN  25  -1.492 -12.577  -7.703
  256    HA   PRO  26           HA       PRO  26   2.462 -19.700  -7.340
  257   1HB   PRO  26          1HB       PRO  26   2.710 -20.002 -10.061
  258   2HB   PRO  26          2HB       PRO  26   1.308 -20.568  -9.136
  259   1HG   PRO  26          1HG       PRO  26   1.533 -18.206 -10.943
  260   2HG   PRO  26          2HG       PRO  26   0.101 -19.155 -10.510
  261   1HD   PRO  26          1HD       PRO  26   0.800 -16.624  -9.444
  262   2HD   PRO  26          2HD       PRO  26  -0.438 -17.725  -8.802
  263    H    TRP  27           H        TRP  27   3.382 -17.995 -10.316
  264    HA   TRP  27           HA       TRP  27   5.955 -17.213  -9.019
  265   1HB   TRP  27          1HB       TRP  27   6.934 -17.807 -11.393
  266   2HB   TRP  27          2HB       TRP  27   6.695 -19.083 -10.201
  267    HD1  TRP  27           HD1      TRP  27   5.100 -17.596 -13.353
  268    HE1  TRP  27           HE1      TRP  27   3.524 -19.357 -14.385
  269    HE3  TRP  27           HE3      TRP  27   5.301 -21.190  -9.729
  270    HZ2  TRP  27           HZ2      TRP  27   2.486 -21.947 -13.755
  271    HZ3  TRP  27           HZ3      TRP  27   4.009 -23.291  -9.970
  272    HH2  TRP  27           HH2      TRP  27   2.604 -23.674 -11.976
  Start of MODEL    2
    1   1H    ARG   1          1H        ARG   1  -3.342  22.044   2.708
    2   2H    ARG   1          2H        ARG   1  -4.775  22.150   1.801
    3   3H    ARG   1          3H        ARG   1  -4.761  22.623   3.434
    4    HA   ARG   1           HA       ARG   1  -4.340  20.357   4.129
    5   1HB   ARG   1          1HB       ARG   1  -6.684  20.944   2.326
    6   2HB   ARG   1          2HB       ARG   1  -6.522  19.369   3.106
    7   1HG   ARG   1          1HG       ARG   1  -5.997  21.178   5.156
    8   2HG   ARG   1          2HG       ARG   1  -7.319  21.929   4.261
    9   1HD   ARG   1          1HD       ARG   1  -8.702  19.986   4.502
   10   2HD   ARG   1          2HD       ARG   1  -7.355  19.028   5.117
   11    HE   ARG   1           HE       ARG   1  -7.506  20.241   7.213
   12   1HH1  ARG   1          1HH2      ARG   1 -10.416  19.544   6.300
   13   2HH1  ARG   1          2HH2      ARG   1 -11.225  21.002   6.768
   14   1HH2  ARG   1          1HH1      ARG   1  -8.294  22.806   7.190
   15   2HH2  ARG   1          2HH1      ARG   1 -10.024  22.849   7.273
   16    H    LYS   2           H        LYS   2  -3.076  18.665   3.550
   17    HA   LYS   2           HA       LYS   2  -2.491  18.160   0.722
   18   1HB   LYS   2          1HB       LYS   2  -1.337  17.438   3.308
   19   2HB   LYS   2          2HB       LYS   2  -1.382  16.076   2.191
   20   1HG   LYS   2          1HG       LYS   2  -0.030  17.151   0.614
   21   2HG   LYS   2          2HG       LYS   2  -0.417  18.756   1.233
   22   1HD   LYS   2          1HD       LYS   2   0.981  16.836   3.054
   23   2HD   LYS   2          2HD       LYS   2   1.920  17.617   1.780
   24   1HE   LYS   2          1HE       LYS   2   0.223  19.054   3.843
   25   2HE   LYS   2          2HE       LYS   2   1.983  18.940   3.865
   26   1HZ   LYS   2          1HZ       LYS   2   1.836  19.935   1.534
   27   2HZ   LYS   2          2HZ       LYS   2   0.253  20.375   1.953
   28   3HZ   LYS   2          3HZ       LYS   2   1.564  20.970   2.854
   29    H    LYS   3           H        LYS   3  -5.204  17.754   1.143
   30    HA   LYS   3           HA       LYS   3  -5.712  14.959   1.674
   31   1HB   LYS   3          1HB       LYS   3  -7.962  15.504   1.545
   32   2HB   LYS   3          2HB       LYS   3  -7.283  17.087   1.923
   33   1HG   LYS   3          1HG       LYS   3  -7.167  17.562  -0.538
   34   2HG   LYS   3          2HG       LYS   3  -8.012  16.040  -0.827
   35   1HD   LYS   3          1HD       LYS   3  -9.468  17.449   1.171
   36   2HD   LYS   3          2HD       LYS   3  -9.129  18.586  -0.133
   37   1HE   LYS   3          1HE       LYS   3  -9.898  16.676  -1.712
   38   2HE   LYS   3          2HE       LYS   3 -10.614  15.968  -0.265
   39   1HZ   LYS   3          1HZ       LYS   3 -11.207  18.739  -0.445
   40   2HZ   LYS   3          2HZ       LYS   3 -11.699  17.932  -1.858
   41   3HZ   LYS   3          3HZ       LYS   3 -12.271  17.418  -0.345
   42    H    LEU   4           H        LEU   4  -4.002  16.027  -0.628
   43    HA   LEU   4           HA       LEU   4  -5.372  14.843  -2.938
   44   1HB   LEU   4          1HB       LEU   4  -3.818  16.968  -2.931
   45   2HB   LEU   4          2HB       LEU   4  -2.519  15.774  -2.996
   46    HG   LEU   4           HG       LEU   4  -3.240  16.509  -5.266
   47   1HD1  LEU   4          1HD1      LEU   4  -2.667  13.977  -4.394
   48   2HD1  LEU   4          2HD1      LEU   4  -4.217  13.718  -5.196
   49   3HD1  LEU   4          3HD1      LEU   4  -2.867  14.416  -6.091
   50   1HD2  LEU   4          1HD2      LEU   4  -5.803  16.282  -4.121
   51   2HD2  LEU   4          2HD2      LEU   4  -5.429  16.654  -5.804
   52   3HD2  LEU   4          3HD2      LEU   4  -5.710  14.983  -5.310
   53    H    GLU   5           H        GLU   5  -2.039  14.486  -1.711
   54    HA   GLU   5           HA       GLU   5  -1.747  11.830  -2.717
   55   1HB   GLU   5          1HB       GLU   5   0.344  11.833  -1.626
   56   2HB   GLU   5          2HB       GLU   5   0.060  13.544  -1.943
   57   1HG   GLU   5          1HG       GLU   5  -0.987  13.668   0.380
   58   2HG   GLU   5          2HG       GLU   5  -0.327  12.057   0.664
   59    H    GLU   6           H        GLU   6  -2.932  13.171   0.302
   60    HA   GLU   6           HA       GLU   6  -2.934  10.793   1.862
   61   1HB   GLU   6          1HB       GLU   6  -4.008  13.470   2.041
   62   2HB   GLU   6          2HB       GLU   6  -5.219  12.301   2.570
   63   1HG   GLU   6          1HG       GLU   6  -2.981  11.298   3.768
   64   2HG   GLU   6          2HG       GLU   6  -2.635  13.028   3.806
   65    H    LEU   7           H        LEU   7  -5.430  12.190  -0.279
   66    HA   LEU   7           HA       LEU   7  -7.331  10.097   0.172
   67   1HB   LEU   7          1HB       LEU   7  -6.991  12.284  -1.838
   68   2HB   LEU   7          2HB       LEU   7  -8.150  10.998  -2.176
   69    HG   LEU   7           HG       LEU   7  -8.923  13.123  -0.835
   70   1HD1  LEU   7          1HD1      LEU   7  -9.514  10.226  -0.239
   71   2HD1  LEU   7          2HD1      LEU   7 -10.380  11.515   0.597
   72   3HD1  LEU   7          3HD1      LEU   7 -10.483  11.379  -1.158
   73   1HD2  LEU   7          1HD2      LEU   7  -6.999  12.823   0.808
   74   2HD2  LEU   7          2HD2      LEU   7  -8.594  12.989   1.543
   75   3HD2  LEU   7          3HD2      LEU   7  -7.845  11.399   1.410
   76    H    GLU   8           H        GLU   8  -5.187  10.702  -2.659
   77    HA   GLU   8           HA       GLU   8  -5.750   8.394  -4.113
   78   1HB   GLU   8          1HB       GLU   8  -3.618   8.603  -5.132
   79   2HB   GLU   8          2HB       GLU   8  -4.003  10.245  -4.614
   80   1HG   GLU   8          1HG       GLU   8  -2.000  10.210  -3.560
   81   2HG   GLU   8          2HG       GLU   8  -2.781   9.162  -2.377
   82    H    ARG   9           H        ARG   9  -4.132   8.702  -1.060
   83    HA   ARG   9           HA       ARG   9  -3.086   5.986  -1.046
   84   1HB   ARG   9          1HB       ARG   9  -3.221   8.261   0.898
   85   2HB   ARG   9          2HB       ARG   9  -2.911   6.637   1.513
   86   1HG   ARG   9          1HG       ARG   9  -1.134   6.547  -0.425
   87   2HG   ARG   9          2HG       ARG   9  -1.240   8.306  -0.344
   88   1HD   ARG   9          1HD       ARG   9  -0.005   8.356   1.539
   89   2HD   ARG   9          2HD       ARG   9  -1.063   7.179   2.319
   90    HE   ARG   9           HE       ARG   9   0.915   6.118   0.390
   91   1HH1  ARG   9          1HH1      ARG   9  -0.693   4.793   2.733
   92   2HH1  ARG   9          2HH1      ARG   9   0.611   4.449   3.820
   93   1HH2  ARG   9          1HH2      ARG   9   2.874   6.495   2.171
   94   2HH2  ARG   9          2HH2      ARG   9   2.631   5.413   3.502
   95    H    ASP  10           H        ASP  10  -5.806   7.738   0.455
   96    HA   ASP  10           HA       ASP  10  -6.845   5.571   1.964
   97   1HB   ASP  10          1HB       ASP  10  -7.589   8.196   1.506
   98   2HB   ASP  10          2HB       ASP  10  -8.900   7.283   0.758
   99    H    LEU  11           H        LEU  11  -7.221   6.380  -1.468
  100    HA   LEU  11           HA       LEU  11  -9.302   4.463  -1.967
  101   1HB   LEU  11          1HB       LEU  11  -9.028   5.009  -4.219
  102   2HB   LEU  11          2HB       LEU  11  -8.385   6.454  -3.440
  103    HG   LEU  11           HG       LEU  11  -6.110   5.152  -3.511
  104   1HD1  LEU  11          1HD1      LEU  11  -7.908   3.413  -4.979
  105   2HD1  LEU  11          2HD1      LEU  11  -6.584   3.955  -6.011
  106   3HD1  LEU  11          3HD1      LEU  11  -6.236   3.128  -4.492
  107   1HD2  LEU  11          1HD2      LEU  11  -7.016   7.211  -4.882
  108   2HD2  LEU  11          2HD2      LEU  11  -5.554   6.381  -5.420
  109   3HD2  LEU  11          3HD2      LEU  11  -7.099   6.047  -6.204
  110    H    ARG  12           H        ARG  12  -5.803   4.364  -1.883
  111    HA   ARG  12           HA       ARG  12  -5.627   1.650  -2.902
  112   1HB   ARG  12          1HB       ARG  12  -3.472   2.245  -3.185
  113   2HB   ARG  12          2HB       ARG  12  -3.858   3.815  -2.483
  114   1HG   ARG  12          1HG       ARG  12  -3.358   3.002  -0.248
  115   2HG   ARG  12          2HG       ARG  12  -3.120   1.364  -0.860
  116   1HD   ARG  12          1HD       ARG  12  -0.981   1.818  -1.386
  117   2HD   ARG  12          2HD       ARG  12  -1.478   3.208  -2.352
  118    HE   ARG  12           HE       ARG  12  -1.603   4.348   0.039
  119   1HH1  ARG  12          1HH2      ARG  12   1.013   4.184  -1.627
  120   2HH1  ARG  12          2HH2      ARG  12   2.138   3.745  -0.384
  121   1HH2  ARG  12          1HH1      ARG  12  -0.318   2.835   1.888
  122   2HH2  ARG  12          2HH1      ARG  12   1.384   2.983   1.605
  123    H    LYS  13           H        LYS  13  -6.101   3.174   0.174
  124    HA   LYS  13           HA       LYS  13  -5.045   1.326   1.992
  125   1HB   LYS  13          1HB       LYS  13  -6.529   3.518   2.315
  126   2HB   LYS  13          2HB       LYS  13  -7.822   2.328   2.477
  127   1HG   LYS  13          1HG       LYS  13  -6.777   1.281   4.333
  128   2HG   LYS  13          2HG       LYS  13  -5.238   2.081   4.018
  129   1HD   LYS  13          1HD       LYS  13  -6.075   3.369   5.773
  130   2HD   LYS  13          2HD       LYS  13  -6.631   4.283   4.369
  131   1HE   LYS  13          1HE       LYS  13  -8.716   2.627   4.586
  132   2HE   LYS  13          2HE       LYS  13  -8.193   2.588   6.270
  133   1HZ   LYS  13          1HZ       LYS  13  -8.660   5.085   4.737
  134   2HZ   LYS  13          2HZ       LYS  13  -9.818   4.366   5.751
  135   3HZ   LYS  13          3HZ       LYS  13  -8.364   4.943   6.404
  136    H    LEU  14           H        LEU  14  -7.902   1.056  -0.043
  137    HA   LEU  14           HA       LEU  14  -8.894  -1.344   1.222
  138   1HB   LEU  14          1HB       LEU  14  -9.707   0.411  -0.896
  139   2HB   LEU  14          2HB       LEU  14  -9.716  -1.247  -1.503
  140    HG   LEU  14           HG       LEU  14 -10.937  -1.817   0.721
  141   1HD1  LEU  14          1HD1      LEU  14 -11.131   1.192   0.591
  142   2HD1  LEU  14          2HD1      LEU  14 -12.370   0.228   1.396
  143   3HD1  LEU  14          3HD1      LEU  14 -10.703   0.179   1.968
  144   1HD2  LEU  14          1HD2      LEU  14 -11.878  -1.669  -1.676
  145   2HD2  LEU  14          2HD2      LEU  14 -13.036  -1.522  -0.355
  146   3HD2  LEU  14          3HD2      LEU  14 -12.485  -0.081  -1.210
  147    H    LYS  15           H        LYS  15  -7.563  -0.917  -2.059
  148    HA   LYS  15           HA       LYS  15  -7.012  -3.510  -2.770
  149   1HB   LYS  15          1HB       LYS  15  -6.173  -1.001  -3.655
  150   2HB   LYS  15          2HB       LYS  15  -4.669  -1.844  -3.284
  151   1HG   LYS  15          1HG       LYS  15  -4.867  -3.054  -5.165
  152   2HG   LYS  15          2HG       LYS  15  -6.423  -3.676  -4.613
  153   1HD   LYS  15          1HD       LYS  15  -7.231  -1.241  -5.385
  154   2HD   LYS  15          2HD       LYS  15  -5.834  -1.400  -6.452
  155   1HE   LYS  15          1HE       LYS  15  -8.142  -3.353  -6.222
  156   2HE   LYS  15          2HE       LYS  15  -7.821  -2.273  -7.577
  157   1HZ   LYS  15          1HZ       LYS  15  -5.692  -3.403  -7.898
  158   2HZ   LYS  15          2HZ       LYS  15  -6.062  -4.473  -6.636
  159   3HZ   LYS  15          3HZ       LYS  15  -7.000  -4.474  -8.053
  160    H    LYS  16           H        LYS  16  -5.427  -1.658  -0.271
  161    HA   LYS  16           HA       LYS  16  -3.061  -3.195   0.043
  162   1HB   LYS  16          1HB       LYS  16  -4.687  -1.405   1.769
  163   2HB   LYS  16          2HB       LYS  16  -3.608  -2.521   2.606
  164   1HG   LYS  16          1HG       LYS  16  -2.221  -1.374   0.363
  165   2HG   LYS  16          2HG       LYS  16  -2.920  -0.080   1.338
  166   1HD   LYS  16          1HD       LYS  16  -1.470  -2.348   2.679
  167   2HD   LYS  16          2HD       LYS  16  -0.556  -1.013   1.973
  168   1HE   LYS  16          1HE       LYS  16  -2.715   0.125   3.435
  169   2HE   LYS  16          2HE       LYS  16  -1.960  -1.082   4.474
  170   1HZ   LYS  16          1HZ       LYS  16   0.029   0.377   3.114
  171   2HZ   LYS  16          2HZ       LYS  16  -1.030   1.462   3.877
  172   3HZ   LYS  16          3HZ       LYS  16  -0.246   0.257   4.783
  173    H    LYS  17           H        LYS  17  -6.205  -3.547   1.701
  174    HA   LYS  17           HA       LYS  17  -5.416  -6.130   2.802
  175   1HB   LYS  17          1HB       LYS  17  -7.497  -4.184   3.267
  176   2HB   LYS  17          2HB       LYS  17  -8.199  -5.793   3.091
  177   1HG   LYS  17          1HG       LYS  17  -6.905  -6.677   4.870
  178   2HG   LYS  17          2HG       LYS  17  -5.797  -5.303   4.853
  179   1HD   LYS  17          1HD       LYS  17  -7.264  -5.003   6.742
  180   2HD   LYS  17          2HD       LYS  17  -7.755  -3.838   5.512
  181   1HE   LYS  17          1HE       LYS  17  -9.786  -4.797   5.276
  182   2HE   LYS  17          2HE       LYS  17  -9.094  -6.416   5.190
  183   1HZ   LYS  17          1HZ       LYS  17  -8.769  -6.187   7.678
  184   2HZ   LYS  17          2HZ       LYS  17  -9.817  -4.858   7.596
  185   3HZ   LYS  17          3HZ       LYS  17 -10.364  -6.397   7.133
  186    H    ILE  18           H        ILE  18  -7.825  -4.997   0.415
  187    HA   ILE  18           HA       ILE  18  -8.827  -7.543  -0.287
  188    HB   ILE  18           HB       ILE  18 -10.165  -5.877  -1.124
  189   1HG1  ILE  18          1HG1      ILE  18  -8.164  -6.367  -3.335
  190   2HG1  ILE  18          2HG1      ILE  18  -9.718  -7.167  -3.095
  191   1HG2  ILE  18          1HG2      ILE  18  -7.600  -4.376  -1.313
  192   2HG2  ILE  18          2HG2      ILE  18  -8.939  -3.837  -2.323
  193   3HG2  ILE  18          3HG2      ILE  18  -9.126  -3.901  -0.573
  194   1HD1  ILE  18          1HD1      ILE  18 -10.618  -4.662  -3.234
  195   2HD1  ILE  18          2HD1      ILE  18  -9.129  -4.431  -4.150
  196   3HD1  ILE  18          3HD1      ILE  18 -10.326  -5.604  -4.697
  197    H    LYS  19           H        LYS  19  -6.402  -5.545  -2.003
  198    HA   LYS  19           HA       LYS  19  -5.673  -7.565  -3.874
  199   1HB   LYS  19          1HB       LYS  19  -5.053  -4.959  -3.648
  200   2HB   LYS  19          2HB       LYS  19  -3.583  -5.649  -2.964
  201   1HG   LYS  19          1HG       LYS  19  -3.380  -7.107  -4.987
  202   2HG   LYS  19          2HG       LYS  19  -4.768  -6.268  -5.683
  203   1HD   LYS  19          1HD       LYS  19  -3.601  -4.268  -5.942
  204   2HD   LYS  19          2HD       LYS  19  -2.438  -4.665  -4.678
  205   1HE   LYS  19          1HE       LYS  19  -1.141  -5.024  -6.572
  206   2HE   LYS  19          2HE       LYS  19  -1.803  -6.639  -6.322
  207   1HZ   LYS  19          1HZ       LYS  19  -3.491  -4.891  -7.873
  208   2HZ   LYS  19          2HZ       LYS  19  -1.998  -5.236  -8.607
  209   3HZ   LYS  19          3HZ       LYS  19  -3.040  -6.501  -8.161
  210    H    LYS  20           H        LYS  20  -5.012  -7.261  -0.527
  211    HA   LYS  20           HA       LYS  20  -2.525  -8.751  -0.525
  212   1HB   LYS  20          1HB       LYS  20  -2.858  -7.322   1.345
  213   2HB   LYS  20          2HB       LYS  20  -4.483  -7.947   1.629
  214   1HG   LYS  20          1HG       LYS  20  -3.677  -9.998   2.475
  215   2HG   LYS  20          2HG       LYS  20  -2.074  -9.755   1.778
  216   1HD   LYS  20          1HD       LYS  20  -1.367  -8.647   3.609
  217   2HD   LYS  20          2HD       LYS  20  -2.768  -7.575   3.566
  218   1HE   LYS  20          1HE       LYS  20  -2.693  -8.896   5.663
  219   2HE   LYS  20          2HE       LYS  20  -4.126  -9.274   4.707
  220   1HZ   LYS  20          1HZ       LYS  20  -2.283 -11.004   3.753
  221   2HZ   LYS  20          2HZ       LYS  20  -1.899 -10.947   5.409
  222   3HZ   LYS  20          3HZ       LYS  20  -3.464 -11.377   4.916
  223    H    LEU  21           H        LEU  21  -5.896  -9.548   0.391
  224    HA   LEU  21           HA       LEU  21  -5.451 -12.275   0.974
  225   1HB   LEU  21          1HB       LEU  21  -7.782 -12.512   0.930
  226   2HB   LEU  21          2HB       LEU  21  -7.573 -10.798   1.272
  227    HG   LEU  21           HG       LEU  21  -7.687 -10.493  -1.305
  228   1HD1  LEU  21          1HD1      LEU  21  -7.866 -13.294  -1.163
  229   2HD1  LEU  21          2HD1      LEU  21  -9.502 -12.752  -1.533
  230   3HD1  LEU  21          3HD1      LEU  21  -8.164 -12.293  -2.585
  231   1HD2  LEU  21          1HD2      LEU  21  -9.578 -10.416   0.739
  232   2HD2  LEU  21          2HD2      LEU  21  -9.775  -9.739  -0.876
  233   3HD2  LEU  21          3HD2      LEU  21 -10.363 -11.364  -0.524
  234    H    GLU  22           H        GLU  22  -6.131 -10.678  -2.113
  235    HA   GLU  22           HA       GLU  22  -6.363 -13.088  -3.646
  236   1HB   GLU  22          1HB       GLU  22  -6.153 -10.200  -4.194
  237   2HB   GLU  22          2HB       GLU  22  -5.489 -11.233  -5.462
  238   1HG   GLU  22          1HG       GLU  22  -7.812 -12.549  -4.884
  239   2HG   GLU  22          2HG       GLU  22  -8.293 -10.877  -4.599
  240    H    GLU  23           H        GLU  23  -3.603 -11.098  -2.703
  241    HA   GLU  23           HA       GLU  23  -1.803 -12.664  -4.408
  242   1HB   GLU  23          1HB       GLU  23  -1.567 -10.203  -2.743
  243   2HB   GLU  23          2HB       GLU  23  -0.101 -11.146  -3.024
  244   1HG   GLU  23          1HG       GLU  23  -0.480 -11.037  -5.452
  245   2HG   GLU  23          2HG       GLU  23  -1.965 -10.123  -5.188
  246    H    ASP  24           H        ASP  24  -0.714 -11.683  -1.252
  247    HA   ASP  24           HA       ASP  24   0.106 -12.955   0.541
  248   1HB   ASP  24          1HB       ASP  24  -2.355 -14.374  -0.367
  249   2HB   ASP  24          2HB       ASP  24  -1.279 -15.248   0.724
  250    H    ASN  25           H        ASN  25   1.671 -13.142  -1.679
  251    HA   ASN  25           HA       ASN  25   2.136 -16.025  -2.209
  252   1HB   ASN  25          1HB       ASN  25   2.668 -13.517  -3.618
  253   2HB   ASN  25          2HB       ASN  25   4.074 -14.584  -3.585
  254   1HD2  ASN  25          2HD2      ASN  25   2.523 -14.031  -5.989
  255   2HD2  ASN  25          1HD2      ASN  25   1.816 -15.494  -6.482
  256    HA   PRO  26           HA       PRO  26   5.739 -16.269   0.282
  257   1HB   PRO  26          1HB       PRO  26   7.432 -17.722  -1.322
  258   2HB   PRO  26          2HB       PRO  26   6.021 -18.419  -0.507
  259   1HG   PRO  26          1HG       PRO  26   6.382 -17.749  -3.389
  260   2HG   PRO  26          2HG       PRO  26   5.321 -18.955  -2.641
  261   1HD   PRO  26          1HD       PRO  26   4.528 -16.412  -3.613
  262   2HD   PRO  26          2HD       PRO  26   3.556 -17.493  -2.590
  263    H    TRP  27           H        TRP  27   7.467 -16.235  -2.813
  264    HA   TRP  27           HA       TRP  27   8.450 -13.488  -2.305
  265   1HB   TRP  27          1HB       TRP  27  10.059 -14.827  -1.081
  266   2HB   TRP  27          2HB       TRP  27  10.231 -15.938  -2.438
  267    HD1  TRP  27           HD1      TRP  27  11.047 -12.343  -1.393
  268    HE1  TRP  27           HE1      TRP  27  12.945 -11.461  -2.898
  269    HE3  TRP  27           HE3      TRP  27  11.434 -16.222  -4.691
  270    HZ2  TRP  27           HZ2      TRP  27  14.432 -12.290  -5.197
  271    HZ3  TRP  27           HZ3      TRP  27  13.096 -16.150  -6.527
  272    HH2  TRP  27           HH2      TRP  27  14.595 -14.191  -6.784
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1  -5.076  22.310   0.824
    2   2H    ARG   1          2H        ARG   1  -6.607  22.747   1.417
    3   3H    ARG   1          3H        ARG   1  -5.205  23.191   2.268
    4    HA   ARG   1           HA       ARG   1  -5.336  21.343   3.452
    5   1HB   ARG   1          1HB       ARG   1  -7.490  20.392   1.544
    6   2HB   ARG   1          2HB       ARG   1  -7.236  19.869   3.210
    7   1HG   ARG   1          1HG       ARG   1  -7.469  22.749   3.093
    8   2HG   ARG   1          2HG       ARG   1  -8.868  21.992   2.329
    9   1HD   ARG   1          1HD       ARG   1  -9.178  20.569   4.333
   10   2HD   ARG   1          2HD       ARG   1  -7.805  21.366   5.099
   11    HE   ARG   1           HE       ARG   1 -10.256  22.885   4.300
   12   1HH1  ARG   1          1HH1      ARG   1  -8.651  21.467   6.894
   13   2HH1  ARG   1          2HH1      ARG   1  -8.691  22.869   7.909
   14   1HH2  ARG   1          1HH2      ARG   1  -9.920  24.957   5.430
   15   2HH2  ARG   1          2HH2      ARG   1  -9.409  24.844   7.082
   16    H    LYS   2           H        LYS   2  -4.265  19.349   3.487
   17    HA   LYS   2           HA       LYS   2  -2.967  18.572   0.951
   18   1HB   LYS   2          1HB       LYS   2  -2.393  18.300   3.808
   19   2HB   LYS   2          2HB       LYS   2  -2.112  16.804   2.916
   20   1HG   LYS   2          1HG       LYS   2  -0.927  18.421   1.193
   21   2HG   LYS   2          2HG       LYS   2  -0.786  19.474   2.602
   22   1HD   LYS   2          1HD       LYS   2   0.563  17.959   3.765
   23   2HD   LYS   2          2HD       LYS   2   0.002  16.581   2.818
   24   1HE   LYS   2          1HE       LYS   2   1.637  16.866   1.292
   25   2HE   LYS   2          2HE       LYS   2   1.253  18.578   1.119
   26   1HZ   LYS   2          1HZ       LYS   2   2.410  18.621   3.487
   27   2HZ   LYS   2          2HZ       LYS   2   3.216  17.276   2.835
   28   3HZ   LYS   2          3HZ       LYS   2   3.290  18.777   2.041
   29    H    LYS   3           H        LYS   3  -5.734  18.037   0.973
   30    HA   LYS   3           HA       LYS   3  -6.012  15.192   1.599
   31   1HB   LYS   3          1HB       LYS   3  -7.815  17.405   1.314
   32   2HB   LYS   3          2HB       LYS   3  -8.292  16.130   0.192
   33   1HG   LYS   3          1HG       LYS   3  -9.116  14.897   1.882
   34   2HG   LYS   3          2HG       LYS   3  -7.565  14.957   2.721
   35   1HD   LYS   3          1HD       LYS   3  -8.131  17.054   3.774
   36   2HD   LYS   3          2HD       LYS   3  -9.594  17.203   2.799
   37   1HE   LYS   3          1HE       LYS   3 -10.037  14.776   3.909
   38   2HE   LYS   3          2HE       LYS   3  -9.080  15.521   5.191
   39   1HZ   LYS   3          1HZ       LYS   3 -11.333  16.962   3.941
   40   2HZ   LYS   3          2HZ       LYS   3 -11.599  15.864   5.209
   41   3HZ   LYS   3          3HZ       LYS   3 -10.612  17.221   5.459
   42    H    LEU   4           H        LEU   4  -4.275  16.315  -0.565
   43    HA   LEU   4           HA       LEU   4  -5.511  15.211  -2.994
   44   1HB   LEU   4          1HB       LEU   4  -4.218  17.272  -3.251
   45   2HB   LEU   4          2HB       LEU   4  -2.807  16.503  -2.525
   46    HG   LEU   4           HG       LEU   4  -2.977  16.634  -5.134
   47   1HD1  LEU   4          1HD1      LEU   4  -1.505  15.139  -3.473
   48   2HD1  LEU   4          2HD1      LEU   4  -2.443  13.845  -4.220
   49   3HD1  LEU   4          3HD1      LEU   4  -1.455  14.909  -5.222
   50   1HD2  LEU   4          1HD2      LEU   4  -5.363  15.553  -4.897
   51   2HD2  LEU   4          2HD2      LEU   4  -4.310  15.042  -6.218
   52   3HD2  LEU   4          3HD2      LEU   4  -4.461  14.043  -4.772
   53    H    GLU   5           H        GLU   5  -2.224  14.827  -1.673
   54    HA   GLU   5           HA       GLU   5  -1.973  12.156  -2.689
   55   1HB   GLU   5          1HB       GLU   5   0.168  12.177  -1.712
   56   2HB   GLU   5          2HB       GLU   5  -0.129  13.883  -2.039
   57   1HG   GLU   5          1HG       GLU   5   0.560  13.998   0.175
   58   2HG   GLU   5          2HG       GLU   5  -1.183  13.832   0.391
   59    H    GLU   6           H        GLU   6  -3.091  13.569   0.310
   60    HA   GLU   6           HA       GLU   6  -2.957  11.356   2.048
   61   1HB   GLU   6          1HB       GLU   6  -4.377  13.872   1.925
   62   2HB   GLU   6          2HB       GLU   6  -5.449  12.605   2.524
   63   1HG   GLU   6          1HG       GLU   6  -2.660  12.773   3.611
   64   2HG   GLU   6          2HG       GLU   6  -3.876  13.908   4.198
   65    H    LEU   7           H        LEU   7  -5.876  12.315   0.193
   66    HA   LEU   7           HA       LEU   7  -7.220   9.843   0.589
   67   1HB   LEU   7          1HB       LEU   7  -7.507  12.129  -1.329
   68   2HB   LEU   7          2HB       LEU   7  -8.439  10.656  -1.599
   69    HG   LEU   7           HG       LEU   7  -9.495  12.523  -0.130
   70   1HD1  LEU   7          1HD1      LEU   7  -9.691   9.713  -0.163
   71   2HD1  LEU   7          2HD1      LEU   7  -9.670  10.163   1.542
   72   3HD1  LEU   7          3HD1      LEU   7 -10.886  10.850   0.463
   73   1HD2  LEU   7          1HD2      LEU   7  -7.472  12.878   1.262
   74   2HD2  LEU   7          2HD2      LEU   7  -8.857  12.400   2.244
   75   3HD2  LEU   7          3HD2      LEU   7  -7.604  11.223   1.855
   76    H    GLU   8           H        GLU   8  -5.196  10.984  -2.129
   77    HA   GLU   8           HA       GLU   8  -5.496   8.891  -3.924
   78   1HB   GLU   8          1HB       GLU   8  -2.939  10.278  -3.060
   79   2HB   GLU   8          2HB       GLU   8  -3.039   9.201  -4.454
   80   1HG   GLU   8          1HG       GLU   8  -5.102  11.327  -4.327
   81   2HG   GLU   8          2HG       GLU   8  -3.450  11.879  -4.613
   82    H    ARG   9           H        ARG   9  -3.814   8.883  -0.843
   83    HA   ARG   9           HA       ARG   9  -2.729   6.213  -1.179
   84   1HB   ARG   9          1HB       ARG   9  -2.906   8.210   1.044
   85   2HB   ARG   9          2HB       ARG   9  -2.571   6.528   1.451
   86   1HG   ARG   9          1HG       ARG   9  -0.941   7.196  -0.787
   87   2HG   ARG   9          2HG       ARG   9  -0.766   8.492   0.397
   88   1HD   ARG   9          1HD       ARG   9   0.062   7.058   2.045
   89   2HD   ARG   9          2HD       ARG   9  -0.664   5.630   1.306
   90    HE   ARG   9           HE       ARG   9   1.293   5.399   0.020
   91   1HH1  ARG   9          1HH1      ARG   9   0.812   8.361  -0.932
   92   2HH1  ARG   9          2HH1      ARG   9   2.381   9.019  -0.609
   93   1HH2  ARG   9          1HH2      ARG   9   3.387   6.346   1.358
   94   2HH2  ARG   9          2HH2      ARG   9   3.840   7.877   0.687
   95    H    ASP  10           H        ASP  10  -5.478   7.678   0.531
   96    HA   ASP  10           HA       ASP  10  -6.497   5.391   1.811
   97   1HB   ASP  10          1HB       ASP  10  -7.338   7.978   1.534
   98   2HB   ASP  10          2HB       ASP  10  -8.534   7.124   0.556
   99    H    LEU  11           H        LEU  11  -6.672   6.326  -1.592
  100    HA   LEU  11           HA       LEU  11  -8.687   4.414  -2.323
  101   1HB   LEU  11          1HB       LEU  11  -8.269   5.066  -4.519
  102   2HB   LEU  11          2HB       LEU  11  -7.683   6.475  -3.635
  103    HG   LEU  11           HG       LEU  11  -5.406   5.150  -3.621
  104   1HD1  LEU  11          1HD1      LEU  11  -7.115   3.651  -5.498
  105   2HD1  LEU  11          2HD1      LEU  11  -5.538   4.096  -6.148
  106   3HD1  LEU  11          3HD1      LEU  11  -5.645   3.146  -4.667
  107   1HD2  LEU  11          1HD2      LEU  11  -6.481   7.217  -5.128
  108   2HD2  LEU  11          2HD2      LEU  11  -4.782   6.744  -5.106
  109   3HD2  LEU  11          3HD2      LEU  11  -5.857   6.111  -6.353
  110    H    ARG  12           H        ARG  12  -5.183   4.314  -2.044
  111    HA   ARG  12           HA       ARG  12  -4.973   1.629  -3.138
  112   1HB   ARG  12          1HB       ARG  12  -3.183   3.768  -2.261
  113   2HB   ARG  12          2HB       ARG  12  -2.631   2.172  -1.750
  114   1HG   ARG  12          1HG       ARG  12  -3.623   2.297  -4.527
  115   2HG   ARG  12          2HG       ARG  12  -2.158   3.234  -4.223
  116   1HD   ARG  12          1HD       ARG  12  -1.024   1.297  -3.331
  117   2HD   ARG  12          2HD       ARG  12  -2.507   0.344  -3.396
  118    HE   ARG  12           HE       ARG  12  -1.729  -0.196  -5.559
  119   1HH1  ARG  12          1HH2      ARG  12   0.661   1.659  -5.442
  120   2HH1  ARG  12          2HH2      ARG  12   0.337   2.726  -6.768
  121   1HH2  ARG  12          1HH1      ARG  12  -3.000   1.819  -7.026
  122   2HH2  ARG  12          2HH1      ARG  12  -1.736   2.817  -7.664
  123    H    LYS  13           H        LYS  13  -5.617   3.071  -0.075
  124    HA   LYS  13           HA       LYS  13  -4.593   1.135   1.713
  125   1HB   LYS  13          1HB       LYS  13  -6.210   3.405   1.909
  126   2HB   LYS  13          2HB       LYS  13  -7.225   2.094   2.511
  127   1HG   LYS  13          1HG       LYS  13  -5.891   1.712   4.330
  128   2HG   LYS  13          2HG       LYS  13  -4.409   2.086   3.447
  129   1HD   LYS  13          1HD       LYS  13  -4.465   4.276   4.037
  130   2HD   LYS  13          2HD       LYS  13  -6.209   4.391   3.792
  131   1HE   LYS  13          1HE       LYS  13  -6.512   3.116   5.950
  132   2HE   LYS  13          2HE       LYS  13  -4.775   3.269   6.213
  133   1HZ   LYS  13          1HZ       LYS  13  -6.256   5.699   5.567
  134   2HZ   LYS  13          2HZ       LYS  13  -6.487   5.043   7.114
  135   3HZ   LYS  13          3HZ       LYS  13  -4.928   5.480   6.602
  136    H    LEU  14           H        LEU  14  -7.390   1.016  -0.403
  137    HA   LEU  14           HA       LEU  14  -8.624  -1.243   0.907
  138   1HB   LEU  14          1HB       LEU  14  -9.045   0.320  -1.568
  139   2HB   LEU  14          2HB       LEU  14  -9.539  -1.370  -1.663
  140    HG   LEU  14           HG       LEU  14 -10.321   0.223   0.752
  141   1HD1  LEU  14          1HD1      LEU  14 -10.853   1.483  -1.462
  142   2HD1  LEU  14          2HD1      LEU  14 -12.037   0.202  -1.725
  143   3HD1  LEU  14          3HD1      LEU  14 -12.163   1.240  -0.304
  144   1HD2  LEU  14          1HD2      LEU  14 -10.861  -2.350  -0.389
  145   2HD2  LEU  14          2HD2      LEU  14 -11.452  -1.686   1.135
  146   3HD2  LEU  14          3HD2      LEU  14 -12.368  -1.434  -0.350
  147    H    LYS  15           H        LYS  15  -7.156  -1.085  -2.340
  148    HA   LYS  15           HA       LYS  15  -6.784  -3.753  -2.876
  149   1HB   LYS  15          1HB       LYS  15  -5.524  -1.297  -3.712
  150   2HB   LYS  15          2HB       LYS  15  -4.308  -2.567  -3.566
  151   1HG   LYS  15          1HG       LYS  15  -6.195  -3.994  -4.809
  152   2HG   LYS  15          2HG       LYS  15  -6.664  -2.397  -5.394
  153   1HD   LYS  15          1HD       LYS  15  -3.769  -2.839  -5.497
  154   2HD   LYS  15          2HD       LYS  15  -4.674  -3.983  -6.489
  155   1HE   LYS  15          1HE       LYS  15  -4.763  -2.348  -8.047
  156   2HE   LYS  15          2HE       LYS  15  -5.935  -1.558  -6.990
  157   1HZ   LYS  15          1HZ       LYS  15  -3.324  -1.061  -6.055
  158   2HZ   LYS  15          2HZ       LYS  15  -3.411  -0.651  -7.700
  159   3HZ   LYS  15          3HZ       LYS  15  -4.489   0.049  -6.591
  160    H    LYS  16           H        LYS  16  -5.167  -1.886  -0.424
  161    HA   LYS  16           HA       LYS  16  -2.910  -3.539   0.050
  162   1HB   LYS  16          1HB       LYS  16  -4.386  -1.462   1.492
  163   2HB   LYS  16          2HB       LYS  16  -3.708  -2.682   2.571
  164   1HG   LYS  16          1HG       LYS  16  -1.585  -2.337   0.965
  165   2HG   LYS  16          2HG       LYS  16  -2.313  -0.741   0.794
  166   1HD   LYS  16          1HD       LYS  16  -2.488  -0.796   3.391
  167   2HD   LYS  16          2HD       LYS  16  -1.286  -2.081   3.286
  168   1HE   LYS  16          1HE       LYS  16   0.302  -0.494   3.124
  169   2HE   LYS  16          2HE       LYS  16  -0.373  -0.054   1.557
  170   1HZ   LYS  16          1HZ       LYS  16  -1.892   0.989   3.745
  171   2HZ   LYS  16          2HZ       LYS  16  -0.286   1.539   3.759
  172   3HZ   LYS  16          3HZ       LYS  16  -1.261   1.789   2.390
  173    H    LYS  17           H        LYS  17  -6.130  -3.637   1.603
  174    HA   LYS  17           HA       LYS  17  -5.519  -6.218   2.830
  175   1HB   LYS  17          1HB       LYS  17  -7.764  -4.258   2.944
  176   2HB   LYS  17          2HB       LYS  17  -8.124  -5.936   3.353
  177   1HG   LYS  17          1HG       LYS  17  -7.130  -5.714   5.359
  178   2HG   LYS  17          2HG       LYS  17  -5.648  -5.132   4.603
  179   1HD   LYS  17          1HD       LYS  17  -6.611  -3.454   6.162
  180   2HD   LYS  17          2HD       LYS  17  -6.561  -2.858   4.502
  181   1HE   LYS  17          1HE       LYS  17  -8.773  -2.475   4.620
  182   2HE   LYS  17          2HE       LYS  17  -9.028  -4.214   4.777
  183   1HZ   LYS  17          1HZ       LYS  17  -8.197  -2.745   7.162
  184   2HZ   LYS  17          2HZ       LYS  17  -9.795  -2.524   6.627
  185   3HZ   LYS  17          3HZ       LYS  17  -9.234  -4.079   7.018
  186    H    ILE  18           H        ILE  18  -7.807  -5.020   0.357
  187    HA   ILE  18           HA       ILE  18  -9.008  -7.493  -0.258
  188    HB   ILE  18           HB       ILE  18 -10.142  -5.762  -1.244
  189   1HG1  ILE  18          1HG1      ILE  18  -8.113  -6.554  -3.340
  190   2HG1  ILE  18          2HG1      ILE  18  -9.732  -7.216  -3.114
  191   1HG2  ILE  18          1HG2      ILE  18  -7.437  -4.531  -1.385
  192   2HG2  ILE  18          2HG2      ILE  18  -8.657  -3.932  -2.506
  193   3HG2  ILE  18          3HG2      ILE  18  -8.946  -3.860  -0.768
  194   1HD1  ILE  18          1HD1      ILE  18  -9.179  -4.314  -3.790
  195   2HD1  ILE  18          2HD1      ILE  18  -9.558  -5.542  -4.998
  196   3HD1  ILE  18          3HD1      ILE  18 -10.748  -5.117  -3.766
  197    H    LYS  19           H        LYS  19  -6.295  -5.850  -1.924
  198    HA   LYS  19           HA       LYS  19  -5.714  -7.963  -3.721
  199   1HB   LYS  19          1HB       LYS  19  -4.758  -5.553  -3.646
  200   2HB   LYS  19          2HB       LYS  19  -3.563  -6.217  -2.530
  201   1HG   LYS  19          1HG       LYS  19  -3.370  -8.088  -4.418
  202   2HG   LYS  19          2HG       LYS  19  -3.955  -6.775  -5.440
  203   1HD   LYS  19          1HD       LYS  19  -2.129  -5.327  -4.644
  204   2HD   LYS  19          2HD       LYS  19  -1.543  -6.629  -3.607
  205   1HE   LYS  19          1HE       LYS  19  -1.538  -8.003  -5.865
  206   2HE   LYS  19          2HE       LYS  19  -1.449  -6.400  -6.594
  207   1HZ   LYS  19          1HZ       LYS  19   0.352  -6.330  -4.538
  208   2HZ   LYS  19          2HZ       LYS  19   0.566  -7.872  -5.217
  209   3HZ   LYS  19          3HZ       LYS  19   0.716  -6.486  -6.188
  210    H    LYS  20           H        LYS  20  -4.823  -7.476  -0.353
  211    HA   LYS  20           HA       LYS  20  -2.783  -9.464  -0.194
  212   1HB   LYS  20          1HB       LYS  20  -4.464  -7.948   1.695
  213   2HB   LYS  20          2HB       LYS  20  -3.956  -9.529   2.288
  214   1HG   LYS  20          1HG       LYS  20  -1.649  -8.536   1.117
  215   2HG   LYS  20          2HG       LYS  20  -2.367  -7.105   1.859
  216   1HD   LYS  20          1HD       LYS  20  -2.682  -8.572   3.957
  217   2HD   LYS  20          2HD       LYS  20  -1.557  -9.693   3.187
  218   1HE   LYS  20          1HE       LYS  20  -0.286  -8.210   4.629
  219   2HE   LYS  20          2HE       LYS  20   0.075  -7.799   2.953
  220   1HZ   LYS  20          1HZ       LYS  20  -2.061  -6.428   4.469
  221   2HZ   LYS  20          2HZ       LYS  20  -0.451  -5.899   4.523
  222   3HZ   LYS  20          3HZ       LYS  20  -1.286  -5.922   3.044
  223    H    LEU  21           H        LEU  21  -6.307  -9.646   0.252
  224    HA   LEU  21           HA       LEU  21  -6.389 -12.394   1.011
  225   1HB   LEU  21          1HB       LEU  21  -8.684 -12.173   0.910
  226   2HB   LEU  21          2HB       LEU  21  -8.227 -10.474   0.995
  227    HG   LEU  21           HG       LEU  21  -8.156 -10.642  -1.623
  228   1HD1  LEU  21          1HD1      LEU  21  -8.712 -13.253  -1.151
  229   2HD1  LEU  21          2HD1      LEU  21 -10.349 -12.617  -1.306
  230   3HD1  LEU  21          3HD1      LEU  21  -9.196 -12.418  -2.626
  231   1HD2  LEU  21          1HD2      LEU  21 -10.163  -9.972   0.304
  232   2HD2  LEU  21          2HD2      LEU  21  -9.936  -9.302  -1.313
  233   3HD2  LEU  21          3HD2      LEU  21 -10.958 -10.721  -1.083
  234    H    GLU  22           H        GLU  22  -6.463 -10.796  -2.134
  235    HA   GLU  22           HA       GLU  22  -7.078 -13.102  -3.696
  236   1HB   GLU  22          1HB       GLU  22  -5.959 -10.403  -4.201
  237   2HB   GLU  22          2HB       GLU  22  -5.567 -11.633  -5.404
  238   1HG   GLU  22          1HG       GLU  22  -8.392 -11.246  -4.417
  239   2HG   GLU  22          2HG       GLU  22  -7.746 -10.292  -5.753
  240    H    GLU  23           H        GLU  23  -4.319 -12.390  -1.860
  241    HA   GLU  23           HA       GLU  23  -2.247 -13.484  -3.465
  242   1HB   GLU  23          1HB       GLU  23  -2.618 -13.391  -0.460
  243   2HB   GLU  23          2HB       GLU  23  -1.112 -13.848  -1.255
  244   1HG   GLU  23          1HG       GLU  23  -2.269 -11.333  -2.249
  245   2HG   GLU  23          2HG       GLU  23  -1.779 -11.280  -0.555
  246    H    ASP  24           H        ASP  24  -1.640 -15.503  -1.130
  247    HA   ASP  24           HA       ASP  24  -2.095 -17.768  -0.651
  248   1HB   ASP  24          1HB       ASP  24  -4.565 -16.906  -1.102
  249   2HB   ASP  24          2HB       ASP  24  -4.374 -17.830  -2.591
  250    H    ASN  25           H        ASN  25  -0.987 -16.439  -3.363
  251    HA   ASN  25           HA       ASN  25  -0.887 -18.988  -4.909
  252   1HB   ASN  25          1HB       ASN  25  -0.762 -16.107  -5.613
  253   2HB   ASN  25          2HB       ASN  25   0.308 -17.168  -6.531
  254   1HD2  ASN  25          2HD2      ASN  25  -3.117 -16.604  -5.696
  255   2HD2  ASN  25          1HD2      ASN  25  -3.751 -17.503  -6.989
  256    HA   PRO  26           HA       PRO  26   3.333 -19.527  -3.837
  257   1HB   PRO  26          1HB       PRO  26   4.136 -20.982  -6.027
  258   2HB   PRO  26          2HB       PRO  26   3.138 -21.647  -4.723
  259   1HG   PRO  26          1HG       PRO  26   2.332 -20.856  -7.483
  260   2HG   PRO  26          2HG       PRO  26   1.601 -22.053  -6.401
  261   1HD   PRO  26          1HD       PRO  26   0.619 -19.444  -6.889
  262   2HD   PRO  26          2HD       PRO  26   0.107 -20.522  -5.574
  263    H    TRP  27           H        TRP  27   3.472 -19.282  -7.396
  264    HA   TRP  27           HA       TRP  27   4.954 -16.722  -7.163
  265   1HB   TRP  27          1HB       TRP  27   6.653 -18.539  -7.083
  266   2HB   TRP  27          2HB       TRP  27   6.051 -19.142  -8.626
  267    HD1  TRP  27           HD1      TRP  27   6.397 -17.576 -10.783
  268    HE1  TRP  27           HE1      TRP  27   8.143 -15.744 -11.279
  269    HE3  TRP  27           HE3      TRP  27   8.100 -16.675  -6.053
  270    HZ2  TRP  27           HZ2      TRP  27  10.012 -14.111  -9.858
  271    HZ3  TRP  27           HZ3      TRP  27   9.862 -14.978  -5.654
  272    HH2  TRP  27           HH2      TRP  27  10.819 -13.696  -7.548
  Start of MODEL    4
    1   1H    ARG   1          1H        ARG   1  -3.650  22.316   1.260
    2   2H    ARG   1          2H        ARG   1  -4.919  23.344   1.729
    3   3H    ARG   1          3H        ARG   1  -4.430  22.081   2.750
    4    HA   ARG   1           HA       ARG   1  -6.233  21.083   1.840
    5   1HB   ARG   1          1HB       ARG   1  -6.236  23.289   0.222
    6   2HB   ARG   1          2HB       ARG   1  -5.884  22.011  -0.942
    7   1HG   ARG   1          1HG       ARG   1  -7.861  20.780  -0.288
    8   2HG   ARG   1          2HG       ARG   1  -8.164  21.890   1.050
    9   1HD   ARG   1          1HD       ARG   1  -8.560  23.724  -0.513
   10   2HD   ARG   1          2HD       ARG   1  -8.149  22.684  -1.878
   11    HE   ARG   1           HE       ARG   1 -10.189  21.327  -1.262
   12   1HH1  ARG   1          1HH1      ARG   1 -10.264  24.602  -1.604
   13   2HH1  ARG   1          2HH1      ARG   1 -11.734  24.868  -0.730
   14   1HH2  ARG   1          1HH2      ARG   1 -11.891  21.635   0.515
   15   2HH2  ARG   1          2HH2      ARG   1 -12.656  23.188   0.471
   16    H    LYS   2           H        LYS   2  -3.960  19.777   2.186
   17    HA   LYS   2           HA       LYS   2  -2.934  18.653  -0.324
   18   1HB   LYS   2          1HB       LYS   2  -1.483  17.321   1.109
   19   2HB   LYS   2          2HB       LYS   2  -1.480  18.989   1.684
   20   1HG   LYS   2          1HG       LYS   2  -2.207  18.304   3.697
   21   2HG   LYS   2          2HG       LYS   2  -3.651  17.623   2.946
   22   1HD   LYS   2          1HD       LYS   2  -2.642  15.503   2.657
   23   2HD   LYS   2          2HD       LYS   2  -1.019  16.148   2.900
   24   1HE   LYS   2          1HE       LYS   2  -2.253  16.844   5.254
   25   2HE   LYS   2          2HE       LYS   2  -3.013  15.295   4.889
   26   1HZ   LYS   2          1HZ       LYS   2  -0.097  15.587   4.646
   27   2HZ   LYS   2          2HZ       LYS   2  -0.792  15.348   6.177
   28   3HZ   LYS   2          3HZ       LYS   2  -1.012  14.192   4.951
   29    H    LYS   3           H        LYS   3  -5.618  18.189  -0.343
   30    HA   LYS   3           HA       LYS   3  -6.131  15.547   0.783
   31   1HB   LYS   3          1HB       LYS   3  -7.740  17.720  -0.325
   32   2HB   LYS   3          2HB       LYS   3  -8.260  16.134  -0.896
   33   1HG   LYS   3          1HG       LYS   3  -9.220  15.701   1.090
   34   2HG   LYS   3          2HG       LYS   3  -7.682  15.963   1.911
   35   1HD   LYS   3          1HD       LYS   3  -8.473  17.884   2.771
   36   2HD   LYS   3          2HD       LYS   3  -8.685  18.517   1.139
   37   1HE   LYS   3          1HE       LYS   3 -10.906  17.503   0.997
   38   2HE   LYS   3          2HE       LYS   3 -10.697  16.769   2.587
   39   1HZ   LYS   3          1HZ       LYS   3 -10.150  19.400   3.005
   40   2HZ   LYS   3          2HZ       LYS   3 -11.439  19.448   1.904
   41   3HZ   LYS   3          3HZ       LYS   3 -11.612  18.618   3.375
   42    H    LEU   4           H        LEU   4  -4.174  16.183  -1.441
   43    HA   LEU   4           HA       LEU   4  -5.254  14.571  -3.647
   44   1HB   LEU   4          1HB       LEU   4  -3.838  16.611  -4.087
   45   2HB   LEU   4          2HB       LEU   4  -2.479  15.754  -3.361
   46    HG   LEU   4           HG       LEU   4  -2.670  15.624  -5.915
   47   1HD1  LEU   4          1HD1      LEU   4  -1.767  13.815  -4.014
   48   2HD1  LEU   4          2HD1      LEU   4  -2.776  12.823  -5.066
   49   3HD1  LEU   4          3HD1      LEU   4  -1.429  13.739  -5.742
   50   1HD2  LEU   4          1HD2      LEU   4  -5.225  15.185  -5.673
   51   2HD2  LEU   4          2HD2      LEU   4  -4.335  14.254  -6.880
   52   3HD2  LEU   4          3HD2      LEU   4  -4.753  13.520  -5.332
   53    H    GLU   5           H        GLU   5  -2.269  14.524  -1.684
   54    HA   GLU   5           HA       GLU   5  -1.824  11.715  -2.195
   55   1HB   GLU   5          1HB       GLU   5  -0.622  13.646  -0.194
   56   2HB   GLU   5          2HB       GLU   5  -0.036  12.004  -0.468
   57   1HG   GLU   5          1HG       GLU   5  -0.250  13.189  -3.020
   58   2HG   GLU   5          2HG       GLU   5   0.510  14.397  -1.985
   59    H    GLU   6           H        GLU   6  -3.376  13.663   0.272
   60    HA   GLU   6           HA       GLU   6  -3.560  11.829   2.394
   61   1HB   GLU   6          1HB       GLU   6  -4.908  14.247   1.568
   62   2HB   GLU   6          2HB       GLU   6  -6.082  13.099   2.210
   63   1HG   GLU   6          1HG       GLU   6  -3.496  13.578   3.669
   64   2HG   GLU   6          2HG       GLU   6  -4.840  14.702   3.866
   65    H    LEU   7           H        LEU   7  -6.198  12.372   0.025
   66    HA   LEU   7           HA       LEU   7  -7.527   9.927   0.635
   67   1HB   LEU   7          1HB       LEU   7  -7.656  11.932  -1.578
   68   2HB   LEU   7          2HB       LEU   7  -8.445  10.373  -1.820
   69    HG   LEU   7           HG       LEU   7  -9.769  12.364  -0.707
   70   1HD1  LEU   7          1HD1      LEU   7  -9.806   9.466  -0.398
   71   2HD1  LEU   7          2HD1      LEU   7 -10.518  10.281   0.995
   72   3HD1  LEU   7          3HD1      LEU   7 -11.154  10.581  -0.622
   73   1HD2  LEU   7          1HD2      LEU   7  -7.932  12.653   1.032
   74   2HD2  LEU   7          2HD2      LEU   7  -9.563  12.491   1.683
   75   3HD2  LEU   7          3HD2      LEU   7  -8.457  11.117   1.722
   76    H    GLU   8           H        GLU   8  -5.222  10.763  -1.973
   77    HA   GLU   8           HA       GLU   8  -5.221   8.445  -3.480
   78   1HB   GLU   8          1HB       GLU   8  -2.998  10.246  -2.563
   79   2HB   GLU   8          2HB       GLU   8  -2.596   8.768  -3.439
   80   1HG   GLU   8          1HG       GLU   8  -4.733  10.578  -4.521
   81   2HG   GLU   8          2HG       GLU   8  -3.039  10.998  -4.771
   82    H    ARG   9           H        ARG   9  -4.092   8.867  -0.197
   83    HA   ARG   9           HA       ARG   9  -2.831   6.259  -0.038
   84   1HB   ARG   9          1HB       ARG   9  -3.554   8.413   1.933
   85   2HB   ARG   9          2HB       ARG   9  -3.027   6.829   2.497
   86   1HG   ARG   9          1HG       ARG   9  -1.300   7.779   0.373
   87   2HG   ARG   9          2HG       ARG   9  -1.378   8.955   1.687
   88   1HD   ARG   9          1HD       ARG   9   0.156   7.652   2.720
   89   2HD   ARG   9          2HD       ARG   9  -1.189   6.556   3.037
   90    HE   ARG   9           HE       ARG   9  -0.012   6.092   0.424
   91   1HH1  ARG   9          1HH1      ARG   9  -0.278   5.176   3.710
   92   2HH1  ARG   9          2HH1      ARG   9   0.853   3.872   3.589
   93   1HH2  ARG   9          1HH2      ARG   9   1.702   4.556   0.299
   94   2HH2  ARG   9          2HH2      ARG   9   1.973   3.522   1.661
   95    H    ASP  10           H        ASP  10  -5.891   7.693   1.110
   96    HA   ASP  10           HA       ASP  10  -6.920   5.367   2.364
   97   1HB   ASP  10          1HB       ASP  10  -7.903   7.963   1.601
   98   2HB   ASP  10          2HB       ASP  10  -9.094   6.738   1.163
   99    H    LEU  11           H        LEU  11  -6.510   6.132  -0.995
  100    HA   LEU  11           HA       LEU  11  -8.499   4.249  -1.953
  101   1HB   LEU  11          1HB       LEU  11  -7.932   4.991  -4.062
  102   2HB   LEU  11          2HB       LEU  11  -7.341   6.355  -3.116
  103    HG   LEU  11           HG       LEU  11  -5.112   5.011  -3.003
  104   1HD1  LEU  11          1HD1      LEU  11  -6.762   3.379  -4.775
  105   2HD1  LEU  11          2HD1      LEU  11  -5.245   3.861  -5.534
  106   3HD1  LEU  11          3HD1      LEU  11  -5.226   2.988  -4.002
  107   1HD2  LEU  11          1HD2      LEU  11  -5.936   7.081  -4.512
  108   2HD2  LEU  11          2HD2      LEU  11  -4.334   6.365  -4.691
  109   3HD2  LEU  11          3HD2      LEU  11  -5.632   5.909  -5.794
  110    H    ARG  12           H        ARG  12  -5.021   4.234  -1.365
  111    HA   ARG  12           HA       ARG  12  -4.701   1.541  -2.429
  112   1HB   ARG  12          1HB       ARG  12  -2.544   2.177  -2.539
  113   2HB   ARG  12          2HB       ARG  12  -3.004   3.728  -1.842
  114   1HG   ARG  12          1HG       ARG  12  -2.663   2.875   0.408
  115   2HG   ARG  12          2HG       ARG  12  -2.352   1.254  -0.214
  116   1HD   ARG  12          1HD       ARG  12  -0.566   2.818  -1.641
  117   2HD   ARG  12          2HD       ARG  12  -0.551   3.561  -0.041
  118    HE   ARG  12           HE       ARG  12   0.350   1.529   0.855
  119   1HH1  ARG  12          1HH1      ARG  12  -1.441  -0.105  -1.151
  120   2HH1  ARG  12          2HH1      ARG  12  -0.199  -0.968  -1.996
  121   1HH2  ARG  12          1HH2      ARG  12   2.372   1.031  -0.806
  122   2HH2  ARG  12          2HH2      ARG  12   1.957  -0.325  -1.803
  123    H    LYS  13           H        LYS  13  -5.439   3.022   0.606
  124    HA   LYS  13           HA       LYS  13  -4.508   1.105   2.451
  125   1HB   LYS  13          1HB       LYS  13  -6.421   3.268   2.432
  126   2HB   LYS  13          2HB       LYS  13  -7.080   1.897   3.322
  127   1HG   LYS  13          1HG       LYS  13  -5.697   2.286   5.054
  128   2HG   LYS  13          2HG       LYS  13  -4.291   2.258   3.988
  129   1HD   LYS  13          1HD       LYS  13  -4.340   4.558   3.636
  130   2HD   LYS  13          2HD       LYS  13  -6.062   4.680   3.994
  131   1HE   LYS  13          1HE       LYS  13  -5.367   5.448   6.018
  132   2HE   LYS  13          2HE       LYS  13  -5.078   3.746   6.376
  133   1HZ   LYS  13          1HZ       LYS  13  -2.814   4.133   5.323
  134   2HZ   LYS  13          2HZ       LYS  13  -3.139   5.790   5.485
  135   3HZ   LYS  13          3HZ       LYS  13  -3.077   4.800   6.865
  136    H    LEU  14           H        LEU  14  -7.290   1.012   0.287
  137    HA   LEU  14           HA       LEU  14  -8.391  -1.386   1.497
  138   1HB   LEU  14          1HB       LEU  14  -9.238   0.539  -0.418
  139   2HB   LEU  14          2HB       LEU  14  -9.272  -1.037  -1.209
  140    HG   LEU  14           HG       LEU  14 -10.310  -1.478   1.367
  141   1HD1  LEU  14          1HD1      LEU  14 -10.524   1.131   1.238
  142   2HD1  LEU  14          2HD1      LEU  14 -11.850   0.789   0.127
  143   3HD1  LEU  14          3HD1      LEU  14 -11.909   0.184   1.782
  144   1HD2  LEU  14          1HD2      LEU  14 -10.954  -1.959  -1.316
  145   2HD2  LEU  14          2HD2      LEU  14 -11.819  -2.574   0.092
  146   3HD2  LEU  14          3HD2      LEU  14 -12.342  -1.077  -0.680
  147    H    LYS  15           H        LYS  15  -7.276  -0.882  -1.848
  148    HA   LYS  15           HA       LYS  15  -6.862  -3.456  -2.670
  149   1HB   LYS  15          1HB       LYS  15  -5.349  -2.633  -4.264
  150   2HB   LYS  15          2HB       LYS  15  -6.273  -1.195  -3.835
  151   1HG   LYS  15          1HG       LYS  15  -4.465  -0.743  -2.074
  152   2HG   LYS  15          2HG       LYS  15  -3.507  -1.974  -2.898
  153   1HD   LYS  15          1HD       LYS  15  -4.740   0.291  -4.452
  154   2HD   LYS  15          2HD       LYS  15  -3.203   0.510  -3.617
  155   1HE   LYS  15          1HE       LYS  15  -2.098  -1.044  -4.957
  156   2HE   LYS  15          2HE       LYS  15  -3.587  -1.892  -5.375
  157   1HZ   LYS  15          1HZ       LYS  15  -3.247   0.904  -6.208
  158   2HZ   LYS  15          2HZ       LYS  15  -2.455  -0.318  -7.083
  159   3HZ   LYS  15          3HZ       LYS  15  -4.145  -0.340  -6.940
  160    H    LYS  16           H        LYS  16  -5.028  -1.756  -0.243
  161    HA   LYS  16           HA       LYS  16  -2.701  -3.369  -0.155
  162   1HB   LYS  16          1HB       LYS  16  -4.076  -1.495   1.628
  163   2HB   LYS  16          2HB       LYS  16  -3.228  -2.772   2.501
  164   1HG   LYS  16          1HG       LYS  16  -1.364  -2.135   0.621
  165   2HG   LYS  16          2HG       LYS  16  -2.138  -0.567   0.853
  166   1HD   LYS  16          1HD       LYS  16  -0.403  -0.633   2.475
  167   2HD   LYS  16          2HD       LYS  16  -1.876  -0.998   3.375
  168   1HE   LYS  16          1HE       LYS  16  -1.236  -3.496   2.702
  169   2HE   LYS  16          2HE       LYS  16   0.383  -2.804   2.623
  170   1HZ   LYS  16          1HZ       LYS  16  -1.116  -1.996   4.942
  171   2HZ   LYS  16          2HZ       LYS  16  -0.831  -3.667   4.875
  172   3HZ   LYS  16          3HZ       LYS  16   0.474  -2.582   4.826
  173    H    LYS  17           H        LYS  17  -5.718  -3.712   1.727
  174    HA   LYS  17           HA       LYS  17  -4.913  -6.376   2.622
  175   1HB   LYS  17          1HB       LYS  17  -7.122  -4.480   3.218
  176   2HB   LYS  17          2HB       LYS  17  -7.465  -6.194   3.450
  177   1HG   LYS  17          1HG       LYS  17  -5.016  -6.036   4.612
  178   2HG   LYS  17          2HG       LYS  17  -5.626  -4.416   4.949
  179   1HD   LYS  17          1HD       LYS  17  -7.574  -5.290   6.052
  180   2HD   LYS  17          2HD       LYS  17  -7.212  -6.932   5.517
  181   1HE   LYS  17          1HE       LYS  17  -6.125  -7.201   7.476
  182   2HE   LYS  17          2HE       LYS  17  -4.888  -6.123   6.830
  183   1HZ   LYS  17          1HZ       LYS  17  -7.311  -5.205   8.274
  184   2HZ   LYS  17          2HZ       LYS  17  -5.791  -5.409   8.999
  185   3HZ   LYS  17          3HZ       LYS  17  -5.999  -4.251   7.774
  186    H    ILE  18           H        ILE  18  -7.475  -5.013   0.541
  187    HA   ILE  18           HA       ILE  18  -8.719  -7.450  -0.140
  188    HB   ILE  18           HB       ILE  18  -9.982  -5.655  -0.810
  189   1HG1  ILE  18          1HG1      ILE  18  -8.247  -6.230  -3.218
  190   2HG1  ILE  18          2HG1      ILE  18  -9.799  -6.968  -2.824
  191   1HG2  ILE  18          1HG2      ILE  18  -7.328  -4.382  -1.174
  192   2HG2  ILE  18          2HG2      ILE  18  -8.652  -3.733  -2.137
  193   3HG2  ILE  18          3HG2      ILE  18  -8.774  -3.762  -0.379
  194   1HD1  ILE  18          1HD1      ILE  18 -10.324  -4.228  -2.792
  195   2HD1  ILE  18          2HD1      ILE  18  -9.243  -4.439  -4.169
  196   3HD1  ILE  18          3HD1      ILE  18 -10.751  -5.349  -4.085
  197    H    LYS  19           H        LYS  19  -6.249  -5.603  -1.973
  198    HA   LYS  19           HA       LYS  19  -5.866  -7.437  -4.060
  199   1HB   LYS  19          1HB       LYS  19  -4.726  -5.134  -3.642
  200   2HB   LYS  19          2HB       LYS  19  -3.510  -6.069  -2.771
  201   1HG   LYS  19          1HG       LYS  19  -3.046  -7.407  -4.739
  202   2HG   LYS  19          2HG       LYS  19  -4.380  -6.654  -5.615
  203   1HD   LYS  19          1HD       LYS  19  -3.036  -4.978  -6.275
  204   2HD   LYS  19          2HD       LYS  19  -2.668  -4.590  -4.595
  205   1HE   LYS  19          1HE       LYS  19  -1.318  -6.931  -5.907
  206   2HE   LYS  19          2HE       LYS  19  -0.719  -5.298  -6.202
  207   1HZ   LYS  19          1HZ       LYS  19  -1.226  -5.642  -3.452
  208   2HZ   LYS  19          2HZ       LYS  19  -0.237  -6.909  -3.993
  209   3HZ   LYS  19          3HZ       LYS  19   0.246  -5.296  -4.228
  210    H    LYS  20           H        LYS  20  -4.845  -7.637  -0.718
  211    HA   LYS  20           HA       LYS  20  -2.952  -9.777  -1.089
  212   1HB   LYS  20          1HB       LYS  20  -3.423  -8.167   0.980
  213   2HB   LYS  20          2HB       LYS  20  -4.472  -9.499   1.470
  214   1HG   LYS  20          1HG       LYS  20  -2.565 -11.071   1.215
  215   2HG   LYS  20          2HG       LYS  20  -1.521  -9.710   0.797
  216   1HD   LYS  20          1HD       LYS  20  -1.888  -8.695   2.978
  217   2HD   LYS  20          2HD       LYS  20  -3.059  -9.945   3.399
  218   1HE   LYS  20          1HE       LYS  20  -1.362 -11.166   4.233
  219   2HE   LYS  20          2HE       LYS  20  -0.734 -11.320   2.593
  220   1HZ   LYS  20          1HZ       LYS  20   0.155  -8.921   3.138
  221   2HZ   LYS  20          2HZ       LYS  20   0.071  -9.500   4.734
  222   3HZ   LYS  20          3HZ       LYS  20   1.023 -10.310   3.580
  223    H    LEU  21           H        LEU  21  -6.371  -9.698  -0.060
  224    HA   LEU  21           HA       LEU  21  -6.813 -12.421   0.360
  225   1HB   LEU  21          1HB       LEU  21  -9.085 -11.957   0.134
  226   2HB   LEU  21          2HB       LEU  21  -8.434 -10.352   0.454
  227    HG   LEU  21           HG       LEU  21  -8.218 -10.234  -2.163
  228   1HD1  LEU  21          1HD1      LEU  21  -9.555 -12.746  -1.751
  229   2HD1  LEU  21          2HD1      LEU  21 -10.639 -11.640  -2.595
  230   3HD1  LEU  21          3HD1      LEU  21  -9.051 -12.004  -3.269
  231   1HD2  LEU  21          1HD2      LEU  21 -10.304  -9.582  -0.264
  232   2HD2  LEU  21          2HD2      LEU  21  -9.761  -8.667  -1.671
  233   3HD2  LEU  21          3HD2      LEU  21 -10.999  -9.911  -1.853
  234    H    GLU  22           H        GLU  22  -6.597 -10.674  -2.692
  235    HA   GLU  22           HA       GLU  22  -7.376 -12.872  -4.367
  236   1HB   GLU  22          1HB       GLU  22  -5.483 -10.669  -5.192
  237   2HB   GLU  22          2HB       GLU  22  -6.639 -11.544  -6.194
  238   1HG   GLU  22          1HG       GLU  22  -8.462 -10.557  -4.685
  239   2HG   GLU  22          2HG       GLU  22  -7.214  -9.474  -4.070
  240    H    GLU  23           H        GLU  23  -4.154 -11.551  -3.538
  241    HA   GLU  23           HA       GLU  23  -2.813 -13.823  -4.759
  242   1HB   GLU  23          1HB       GLU  23  -1.924 -11.405  -3.203
  243   2HB   GLU  23          2HB       GLU  23  -0.792 -12.710  -3.564
  244   1HG   GLU  23          1HG       GLU  23  -0.752 -12.239  -5.806
  245   2HG   GLU  23          2HG       GLU  23  -2.442 -11.730  -5.833
  246    H    ASP  24           H        ASP  24  -1.630 -12.781  -1.670
  247    HA   ASP  24           HA       ASP  24  -1.639 -13.842   0.443
  248   1HB   ASP  24          1HB       ASP  24  -4.023 -14.737  -0.669
  249   2HB   ASP  24          2HB       ASP  24  -3.157 -16.228  -0.297
  250    H    ASN  25           H        ASN  25  -0.837 -15.298  -2.559
  251    HA   ASN  25           HA       ASN  25   0.253 -17.773  -1.827
  252   1HB   ASN  25          1HB       ASN  25   1.555 -17.632  -3.810
  253   2HB   ASN  25          2HB       ASN  25   0.105 -16.688  -4.148
  254   1HD2  ASN  25          2HD2      ASN  25   3.307 -16.531  -4.721
  255   2HD2  ASN  25          1HD2      ASN  25   3.564 -14.857  -4.616
  256    HA   PRO  26           HA       PRO  26   3.626 -16.756   0.792
  257   1HB   PRO  26          1HB       PRO  26   5.063 -19.077   0.458
  258   2HB   PRO  26          2HB       PRO  26   3.588 -18.971   1.434
  259   1HG   PRO  26          1HG       PRO  26   3.969 -20.181  -1.263
  260   2HG   PRO  26          2HG       PRO  26   2.769 -20.569  -0.019
  261   1HD   PRO  26          1HD       PRO  26   2.310 -19.014  -2.342
  262   2HD   PRO  26          2HD       PRO  26   1.228 -19.143  -0.939
  263    H    TRP  27           H        TRP  27   5.079 -18.687  -1.837
  264    HA   TRP  27           HA       TRP  27   7.114 -18.287  -2.976
  265   1HB   TRP  27          1HB       TRP  27   5.513 -17.170  -4.427
  266   2HB   TRP  27          2HB       TRP  27   5.559 -15.723  -3.419
  267    HD1  TRP  27           HD1      TRP  27   6.360 -14.530  -5.785
  268    HE1  TRP  27           HE1      TRP  27   8.748 -14.207  -6.698
  269    HE3  TRP  27           HE3      TRP  27   8.850 -18.057  -3.043
  270    HZ2  TRP  27           HZ2      TRP  27  11.362 -15.294  -6.318
  271    HZ3  TRP  27           HZ3      TRP  27  11.285 -18.387  -3.341
  272    HH2  TRP  27           HH2      TRP  27  12.545 -17.011  -4.974
  Start of MODEL    5
    1   1H    ARG   1          1H        ARG   1  -2.010  21.543   3.047
    2   2H    ARG   1          2H        ARG   1  -2.712  23.028   2.611
    3   3H    ARG   1          3H        ARG   1  -3.016  22.359   4.143
    4    HA   ARG   1           HA       ARG   1  -4.635  21.034   3.403
    5   1HB   ARG   1          1HB       ARG   1  -4.237  23.122   1.292
    6   2HB   ARG   1          2HB       ARG   1  -5.412  21.841   0.991
    7   1HG   ARG   1          1HG       ARG   1  -6.804  22.521   2.704
    8   2HG   ARG   1          2HG       ARG   1  -5.480  23.197   3.653
    9   1HD   ARG   1          1HD       ARG   1  -5.278  25.056   2.030
   10   2HD   ARG   1          2HD       ARG   1  -6.631  24.393   1.116
   11    HE   ARG   1           HE       ARG   1  -8.111  25.025   2.920
   12   1HH1  ARG   1          1HH1      ARG   1  -6.074  24.593   5.144
   13   2HH1  ARG   1          2HH1      ARG   1  -5.813  26.219   5.679
   14   1HH2  ARG   1          1HH2      ARG   1  -7.230  27.658   2.860
   15   2HH2  ARG   1          2HH2      ARG   1  -6.468  27.954   4.388
   16    H    LYS   2           H        LYS   2  -2.786  19.300   3.256
   17    HA   LYS   2           HA       LYS   2  -2.212  18.464   0.484
   18   1HB   LYS   2          1HB       LYS   2  -1.455  17.152   3.112
   19   2HB   LYS   2          2HB       LYS   2  -0.814  16.741   1.521
   20   1HG   LYS   2          1HG       LYS   2  -0.606  19.548   2.606
   21   2HG   LYS   2          2HG       LYS   2   0.598  18.322   3.004
   22   1HD   LYS   2          1HD       LYS   2   1.368  18.167   0.821
   23   2HD   LYS   2          2HD       LYS   2  -0.169  18.692   0.133
   24   1HE   LYS   2          1HE       LYS   2   1.040  20.631  -0.172
   25   2HE   LYS   2          2HE       LYS   2   0.438  20.933   1.458
   26   1HZ   LYS   2          1HZ       LYS   2   2.806  19.373   1.526
   27   2HZ   LYS   2          2HZ       LYS   2   3.072  20.805   0.659
   28   3HZ   LYS   2          3HZ       LYS   2   2.490  20.875   2.253
   29    H    LYS   3           H        LYS   3  -4.964  18.396   1.085
   30    HA   LYS   3           HA       LYS   3  -5.688  15.699   1.845
   31   1HB   LYS   3          1HB       LYS   3  -7.876  16.452   1.847
   32   2HB   LYS   3          2HB       LYS   3  -7.031  17.987   2.046
   33   1HG   LYS   3          1HG       LYS   3  -7.001  17.968  -0.592
   34   2HG   LYS   3          2HG       LYS   3  -8.362  16.865  -0.397
   35   1HD   LYS   3          1HD       LYS   3  -9.311  18.635   1.234
   36   2HD   LYS   3          2HD       LYS   3  -8.127  19.729   0.516
   37   1HE   LYS   3          1HE       LYS   3  -9.190  19.769  -1.526
   38   2HE   LYS   3          2HE       LYS   3  -9.809  18.126  -1.354
   39   1HZ   LYS   3          1HZ       LYS   3 -10.856  19.927   0.614
   40   2HZ   LYS   3          2HZ       LYS   3 -11.231  20.407  -0.972
   41   3HZ   LYS   3          3HZ       LYS   3 -11.674  18.862  -0.423
   42    H    LEU   4           H        LEU   4  -4.071  16.470  -0.644
   43    HA   LEU   4           HA       LEU   4  -5.723  15.280  -2.760
   44   1HB   LEU   4          1HB       LEU   4  -4.112  17.247  -3.133
   45   2HB   LEU   4          2HB       LEU   4  -2.813  16.062  -2.979
   46    HG   LEU   4           HG       LEU   4  -3.578  16.505  -5.358
   47   1HD1  LEU   4          1HD1      LEU   4  -2.532  14.315  -4.342
   48   2HD1  LEU   4          2HD1      LEU   4  -4.136  13.642  -4.638
   49   3HD1  LEU   4          3HD1      LEU   4  -3.189  14.289  -5.980
   50   1HD2  LEU   4          1HD2      LEU   4  -6.069  16.469  -4.426
   51   2HD2  LEU   4          2HD2      LEU   4  -5.712  15.920  -6.063
   52   3HD2  LEU   4          3HD2      LEU   4  -5.930  14.744  -4.766
   53    H    GLU   5           H        GLU   5  -2.350  14.694  -1.755
   54    HA   GLU   5           HA       GLU   5  -2.375  11.962  -2.605
   55   1HB   GLU   5          1HB       GLU   5  -0.197  11.848  -1.641
   56   2HB   GLU   5          2HB       GLU   5  -0.360  13.504  -2.224
   57   1HG   GLU   5          1HG       GLU   5  -1.149  14.131   0.107
   58   2HG   GLU   5          2HG       GLU   5  -0.656  12.518   0.622
   59    H    GLU   6           H        GLU   6  -3.230  13.602   0.358
   60    HA   GLU   6           HA       GLU   6  -3.117  11.524   2.237
   61   1HB   GLU   6          1HB       GLU   6  -4.393  14.089   2.014
   62   2HB   GLU   6          2HB       GLU   6  -5.548  12.936   2.681
   63   1HG   GLU   6          1HG       GLU   6  -3.188  12.312   4.004
   64   2HG   GLU   6          2HG       GLU   6  -3.149  14.073   3.903
   65    H    LEU   7           H        LEU   7  -6.013  12.387   0.282
   66    HA   LEU   7           HA       LEU   7  -7.303   9.904   0.993
   67   1HB   LEU   7          1HB       LEU   7  -9.020  11.253   0.396
   68   2HB   LEU   7          2HB       LEU   7  -7.962  12.316  -0.531
   69    HG   LEU   7           HG       LEU   7  -7.985  10.751  -2.404
   70   1HD1  LEU   7          1HD1      LEU   7  -8.745   8.898  -0.434
   71   2HD1  LEU   7          2HD1      LEU   7 -10.160   9.054  -1.475
   72   3HD1  LEU   7          3HD1      LEU   7  -8.605   8.588  -2.164
   73   1HD2  LEU   7          1HD2      LEU   7 -10.311  12.110  -1.340
   74   2HD2  LEU   7          2HD2      LEU   7  -9.793  11.950  -3.018
   75   3HD2  LEU   7          3HD2      LEU   7 -10.800  10.703  -2.283
   76    H    GLU   8           H        GLU   8  -5.591  11.133  -1.886
   77    HA   GLU   8           HA       GLU   8  -5.974   9.089  -3.710
   78   1HB   GLU   8          1HB       GLU   8  -3.853  10.993  -3.157
   79   2HB   GLU   8          2HB       GLU   8  -3.178   9.461  -3.710
   80   1HG   GLU   8          1HG       GLU   8  -5.149   9.655  -5.496
   81   2HG   GLU   8          2HG       GLU   8  -4.962  11.377  -5.149
   82    H    ARG   9           H        ARG   9  -4.271   8.979  -0.675
   83    HA   ARG   9           HA       ARG   9  -3.093   6.362  -1.126
   84   1HB   ARG   9          1HB       ARG   9  -3.128   8.403   0.987
   85   2HB   ARG   9          2HB       ARG   9  -3.133   6.748   1.600
   86   1HG   ARG   9          1HG       ARG   9  -1.226   6.326  -0.098
   87   2HG   ARG   9          2HG       ARG   9  -1.094   8.082  -0.179
   88   1HD   ARG   9          1HD       ARG   9  -1.067   7.911   2.448
   89   2HD   ARG   9          2HD       ARG   9  -0.562   6.249   2.137
   90    HE   ARG   9           HE       ARG   9   1.073   7.895   0.536
   91   1HH1  ARG   9          1HH1      ARG   9   1.006   9.778   2.810
   92   2HH1  ARG   9          2HH1      ARG   9   2.273   9.191   3.835
   93   1HH2  ARG   9          1HH2      ARG   9   2.430   6.085   2.304
   94   2HH2  ARG   9          2HH2      ARG   9   3.079   7.100   3.550
   95    H    ASP  10           H        ASP  10  -5.918   7.703   0.538
   96    HA   ASP  10           HA       ASP  10  -6.811   5.315   1.791
   97   1HB   ASP  10          1HB       ASP  10  -7.758   7.934   1.519
   98   2HB   ASP  10          2HB       ASP  10  -9.011   6.934   0.786
   99    H    LEU  11           H        LEU  11  -6.925   6.316  -1.557
  100    HA   LEU  11           HA       LEU  11  -8.985   4.438  -2.334
  101   1HB   LEU  11          1HB       LEU  11  -8.708   5.291  -4.452
  102   2HB   LEU  11          2HB       LEU  11  -7.919   6.589  -3.560
  103    HG   LEU  11           HG       LEU  11  -5.763   5.159  -3.827
  104   1HD1  LEU  11          1HD1      LEU  11  -7.662   3.504  -5.140
  105   2HD1  LEU  11          2HD1      LEU  11  -6.592   4.145  -6.386
  106   3HD1  LEU  11          3HD1      LEU  11  -5.920   3.257  -5.019
  107   1HD2  LEU  11          1HD2      LEU  11  -6.978   7.184  -5.375
  108   2HD2  LEU  11          2HD2      LEU  11  -5.264   6.775  -5.312
  109   3HD2  LEU  11          3HD2      LEU  11  -6.305   6.031  -6.527
  110    H    ARG  12           H        ARG  12  -5.475   4.451  -2.193
  111    HA   ARG  12           HA       ARG  12  -5.201   1.808  -3.364
  112   1HB   ARG  12          1HB       ARG  12  -3.399   3.888  -2.213
  113   2HB   ARG  12          2HB       ARG  12  -2.806   2.228  -2.251
  114   1HG   ARG  12          1HG       ARG  12  -4.104   3.020  -4.752
  115   2HG   ARG  12          2HG       ARG  12  -2.703   4.020  -4.364
  116   1HD   ARG  12          1HD       ARG  12  -2.282   1.149  -3.887
  117   2HD   ARG  12          2HD       ARG  12  -2.579   1.555  -5.577
  118    HE   ARG  12           HE       ARG  12  -0.688   3.285  -5.239
  119   1HH1  ARG  12          1HH2      ARG  12  -0.292   0.079  -5.092
  120   2HH1  ARG  12          2HH2      ARG  12   1.074   0.057  -4.028
  121   1HH2  ARG  12          1HH1      ARG  12   0.775   3.396  -3.144
  122   2HH2  ARG  12          2HH1      ARG  12   1.679   1.935  -2.925
  123    H    LYS  13           H        LYS  13  -5.761   3.132  -0.221
  124    HA   LYS  13           HA       LYS  13  -4.621   1.180   1.465
  125   1HB   LYS  13          1HB       LYS  13  -6.396   3.338   1.764
  126   2HB   LYS  13          2HB       LYS  13  -7.270   1.936   2.378
  127   1HG   LYS  13          1HG       LYS  13  -5.852   1.659   4.143
  128   2HG   LYS  13          2HG       LYS  13  -4.433   2.115   3.199
  129   1HD   LYS  13          1HD       LYS  13  -5.860   4.474   3.295
  130   2HD   LYS  13          2HD       LYS  13  -6.166   3.779   4.888
  131   1HE   LYS  13          1HE       LYS  13  -3.364   3.612   3.937
  132   2HE   LYS  13          2HE       LYS  13  -3.950   5.235   4.301
  133   1HZ   LYS  13          1HZ       LYS  13  -4.396   3.000   6.177
  134   2HZ   LYS  13          2HZ       LYS  13  -2.936   3.868   6.186
  135   3HZ   LYS  13          3HZ       LYS  13  -4.404   4.668   6.488
  136    H    LEU  14           H        LEU  14  -7.314   0.972  -0.708
  137    HA   LEU  14           HA       LEU  14  -8.548  -1.330   0.512
  138   1HB   LEU  14          1HB       LEU  14  -8.755   0.066  -2.136
  139   2HB   LEU  14          2HB       LEU  14  -9.460  -1.541  -1.954
  140    HG   LEU  14           HG       LEU  14 -10.017   0.610   0.077
  141   1HD1  LEU  14          1HD1      LEU  14 -10.711   0.764  -2.672
  142   2HD1  LEU  14          2HD1      LEU  14 -12.176   0.319  -1.798
  143   3HD1  LEU  14          3HD1      LEU  14 -11.295   1.781  -1.355
  144   1HD2  LEU  14          1HD2      LEU  14 -10.631  -2.067  -0.057
  145   2HD2  LEU  14          2HD2      LEU  14 -11.544  -0.876   0.871
  146   3HD2  LEU  14          3HD2      LEU  14 -12.076  -1.330  -0.747
  147    H    LYS  15           H        LYS  15  -6.834  -1.106  -2.614
  148    HA   LYS  15           HA       LYS  15  -6.344  -3.763  -3.128
  149   1HB   LYS  15          1HB       LYS  15  -4.918  -1.256  -3.710
  150   2HB   LYS  15          2HB       LYS  15  -3.881  -2.682  -3.725
  151   1HG   LYS  15          1HG       LYS  15  -4.822  -3.484  -5.622
  152   2HG   LYS  15          2HG       LYS  15  -6.456  -3.116  -5.065
  153   1HD   LYS  15          1HD       LYS  15  -4.736  -0.794  -5.777
  154   2HD   LYS  15          2HD       LYS  15  -5.301  -1.799  -7.111
  155   1HE   LYS  15          1HE       LYS  15  -7.393  -1.211  -5.137
  156   2HE   LYS  15          2HE       LYS  15  -6.753   0.231  -5.925
  157   1HZ   LYS  15          1HZ       LYS  15  -7.005  -1.296  -8.033
  158   2HZ   LYS  15          2HZ       LYS  15  -8.196  -2.037  -7.074
  159   3HZ   LYS  15          3HZ       LYS  15  -8.305  -0.382  -7.444
  160    H    LYS  16           H        LYS  16  -4.965  -1.853  -0.556
  161    HA   LYS  16           HA       LYS  16  -2.730  -3.475   0.095
  162   1HB   LYS  16          1HB       LYS  16  -2.512  -2.038   1.832
  163   2HB   LYS  16          2HB       LYS  16  -3.911  -1.203   1.161
  164   1HG   LYS  16          1HG       LYS  16  -5.419  -2.453   2.587
  165   2HG   LYS  16          2HG       LYS  16  -4.104  -3.484   3.150
  166   1HD   LYS  16          1HD       LYS  16  -3.222  -1.853   4.520
  167   2HD   LYS  16          2HD       LYS  16  -3.792  -0.535   3.495
  168   1HE   LYS  16          1HE       LYS  16  -5.121  -0.491   5.503
  169   2HE   LYS  16          2HE       LYS  16  -6.148  -1.123   4.216
  170   1HZ   LYS  16          1HZ       LYS  16  -4.661  -3.178   5.531
  171   2HZ   LYS  16          2HZ       LYS  16  -5.652  -2.325   6.612
  172   3HZ   LYS  16          3HZ       LYS  16  -6.333  -3.067   5.244
  173    H    LYS  17           H        LYS  17  -6.067  -3.617   1.356
  174    HA   LYS  17           HA       LYS  17  -5.507  -6.169   2.673
  175   1HB   LYS  17          1HB       LYS  17  -7.569  -4.108   2.806
  176   2HB   LYS  17          2HB       LYS  17  -8.248  -5.737   2.811
  177   1HG   LYS  17          1HG       LYS  17  -6.003  -4.825   4.635
  178   2HG   LYS  17          2HG       LYS  17  -7.701  -4.887   5.107
  179   1HD   LYS  17          1HD       LYS  17  -7.681  -7.336   4.434
  180   2HD   LYS  17          2HD       LYS  17  -5.928  -7.203   4.299
  181   1HE   LYS  17          1HE       LYS  17  -7.252  -6.239   6.808
  182   2HE   LYS  17          2HE       LYS  17  -7.041  -7.975   6.574
  183   1HZ   LYS  17          1HZ       LYS  17  -4.642  -6.950   5.844
  184   2HZ   LYS  17          2HZ       LYS  17  -5.085  -5.954   7.147
  185   3HZ   LYS  17          3HZ       LYS  17  -4.996  -7.638   7.354
  186    H    ILE  18           H        ILE  18  -7.615  -5.010   0.026
  187    HA   ILE  18           HA       ILE  18  -8.802  -7.472  -0.623
  188    HB   ILE  18           HB       ILE  18  -9.813  -5.765  -1.763
  189   1HG1  ILE  18          1HG1      ILE  18  -7.615  -6.630  -3.648
  190   2HG1  ILE  18          2HG1      ILE  18  -9.256  -7.271  -3.553
  191   1HG2  ILE  18          1HG2      ILE  18  -7.092  -4.576  -1.683
  192   2HG2  ILE  18          2HG2      ILE  18  -8.191  -3.993  -2.932
  193   3HG2  ILE  18          3HG2      ILE  18  -8.644  -3.870  -1.233
  194   1HD1  ILE  18          1HD1      ILE  18  -9.938  -4.763  -4.009
  195   2HD1  ILE  18          2HD1      ILE  18  -8.303  -4.649  -4.664
  196   3HD1  ILE  18          3HD1      ILE  18  -9.452  -5.797  -5.354
  197    H    LYS  19           H        LYS  19  -5.864  -5.970  -2.027
  198    HA   LYS  19           HA       LYS  19  -5.225  -8.137  -3.742
  199   1HB   LYS  19          1HB       LYS  19  -3.215  -7.056  -4.118
  200   2HB   LYS  19          2HB       LYS  19  -4.146  -5.723  -3.438
  201   1HG   LYS  19          1HG       LYS  19  -2.336  -5.560  -2.043
  202   2HG   LYS  19          2HG       LYS  19  -3.193  -6.821  -1.156
  203   1HD   LYS  19          1HD       LYS  19  -1.489  -8.243  -1.515
  204   2HD   LYS  19          2HD       LYS  19  -1.703  -8.068  -3.257
  205   1HE   LYS  19          1HE       LYS  19  -0.420  -5.796  -2.892
  206   2HE   LYS  19          2HE       LYS  19   0.150  -6.583  -1.421
  207   1HZ   LYS  19          1HZ       LYS  19   0.357  -7.742  -4.147
  208   2HZ   LYS  19          2HZ       LYS  19   1.621  -6.950  -3.335
  209   3HZ   LYS  19          3HZ       LYS  19   0.995  -8.399  -2.717
  210    H    LYS  20           H        LYS  20  -4.867  -7.743  -0.305
  211    HA   LYS  20           HA       LYS  20  -2.905  -9.811   0.093
  212   1HB   LYS  20          1HB       LYS  20  -4.556  -8.068   1.747
  213   2HB   LYS  20          2HB       LYS  20  -4.431  -9.693   2.423
  214   1HG   LYS  20          1HG       LYS  20  -1.856  -8.846   1.427
  215   2HG   LYS  20          2HG       LYS  20  -2.494  -7.642   2.548
  216   1HD   LYS  20          1HD       LYS  20  -1.267  -9.269   3.845
  217   2HD   LYS  20          2HD       LYS  20  -2.983  -9.518   4.159
  218   1HE   LYS  20          1HE       LYS  20  -2.936 -11.269   2.304
  219   2HE   LYS  20          2HE       LYS  20  -1.178 -11.143   2.358
  220   1HZ   LYS  20          1HZ       LYS  20  -2.120 -11.391   4.978
  221   2HZ   LYS  20          2HZ       LYS  20  -2.863 -12.602   4.048
  222   3HZ   LYS  20          3HZ       LYS  20  -1.170 -12.486   4.097
  223    H    LEU  21           H        LEU  21  -6.465  -9.775   0.491
  224    HA   LEU  21           HA       LEU  21  -6.835 -12.454   1.220
  225   1HB   LEU  21          1HB       LEU  21  -9.074 -12.159   0.672
  226   2HB   LEU  21          2HB       LEU  21  -8.545 -10.487   0.837
  227    HG   LEU  21           HG       LEU  21  -8.026 -10.653  -1.714
  228   1HD1  LEU  21          1HD1      LEU  21  -8.915 -13.265  -1.256
  229   2HD1  LEU  21          2HD1      LEU  21 -10.279 -12.472  -2.041
  230   3HD1  LEU  21          3HD1      LEU  21  -8.702 -12.498  -2.829
  231   1HD2  LEU  21          1HD2      LEU  21 -10.830 -10.586  -0.567
  232   2HD2  LEU  21          2HD2      LEU  21  -9.765  -9.209  -0.850
  233   3HD2  LEU  21          3HD2      LEU  21 -10.435 -10.103  -2.216
  234    H    GLU  22           H        GLU  22  -6.324 -11.086  -1.994
  235    HA   GLU  22           HA       GLU  22  -6.879 -13.340  -3.582
  236   1HB   GLU  22          1HB       GLU  22  -5.231 -10.914  -3.842
  237   2HB   GLU  22          2HB       GLU  22  -4.651 -12.273  -4.806
  238   1HG   GLU  22          1HG       GLU  22  -7.291 -12.460  -5.332
  239   2HG   GLU  22          2HG       GLU  22  -7.175 -10.723  -5.049
  240    H    GLU  23           H        GLU  23  -3.856 -12.489  -1.903
  241    HA   GLU  23           HA       GLU  23  -2.646 -15.047  -2.656
  242   1HB   GLU  23          1HB       GLU  23  -1.131 -13.191  -2.570
  243   2HB   GLU  23          2HB       GLU  23  -1.699 -12.723  -0.967
  244   1HG   GLU  23          1HG       GLU  23   0.421 -13.880  -0.720
  245   2HG   GLU  23          2HG       GLU  23  -0.859 -14.922  -0.095
  246    H    ASP  24           H        ASP  24  -3.598 -13.425   0.382
  247    HA   ASP  24           HA       ASP  24  -4.217 -14.332   2.453
  248   1HB   ASP  24          1HB       ASP  24  -5.894 -15.474   0.940
  249   2HB   ASP  24          2HB       ASP  24  -4.793 -16.849   0.871
  250    H    ASN  25           H        ASN  25  -1.524 -14.328   2.145
  251    HA   ASN  25           HA       ASN  25  -0.152 -16.794   2.212
  252   1HB   ASN  25          1HB       ASN  25   1.676 -15.585   3.077
  253   2HB   ASN  25          2HB       ASN  25   0.757 -14.358   2.208
  254   1HD2  ASN  25          2HD2      ASN  25   2.546 -14.165   4.704
  255   2HD2  ASN  25          1HD2      ASN  25   1.568 -13.381   5.851
  256    HA   PRO  26           HA       PRO  26  -1.343 -18.542   6.064
  257   1HB   PRO  26          1HB       PRO  26   0.842 -20.167   6.441
  258   2HB   PRO  26          2HB       PRO  26  -0.447 -20.515   5.278
  259   1HG   PRO  26          1HG       PRO  26   2.319 -19.518   4.772
  260   2HG   PRO  26          2HG       PRO  26   1.256 -20.462   3.715
  261   1HD   PRO  26          1HD       PRO  26   1.735 -17.682   3.517
  262   2HD   PRO  26          2HD       PRO  26   0.425 -18.574   2.713
  263    H    TRP  27           H        TRP  27   2.215 -18.283   6.266
  264    HA   TRP  27           HA       TRP  27   2.124 -16.135   8.231
  265   1HB   TRP  27          1HB       TRP  27   1.720 -18.746   9.204
  266   2HB   TRP  27          2HB       TRP  27   3.405 -18.368   9.567
  267    HD1  TRP  27           HD1      TRP  27  -0.153 -17.077  10.189
  268    HE1  TRP  27           HE1      TRP  27  -0.120 -15.549  12.264
  269    HE3  TRP  27           HE3      TRP  27   4.874 -16.898  11.073
  270    HZ2  TRP  27           HZ2      TRP  27   1.785 -14.404  14.065
  271    HZ3  TRP  27           HZ3      TRP  27   5.769 -15.583  12.974
  272    HH2  TRP  27           HH2      TRP  27   4.232 -14.337  14.469
  Start of MODEL    6
    1   1H    ARG   1          1H        ARG   1  -4.299  22.503  -0.076
    2   2H    ARG   1          2H        ARG   1  -5.932  22.153   0.230
    3   3H    ARG   1          3H        ARG   1  -5.110  23.270   1.206
    4    HA   ARG   1           HA       ARG   1  -3.824  21.633   2.237
    5   1HB   ARG   1          1HB       ARG   1  -6.670  21.446   2.163
    6   2HB   ARG   1          2HB       ARG   1  -6.028  19.803   2.219
    7   1HG   ARG   1          1HG       ARG   1  -4.602  21.624   4.013
    8   2HG   ARG   1          2HG       ARG   1  -6.318  21.500   4.399
    9   1HD   ARG   1          1HD       ARG   1  -6.188  19.112   4.608
   10   2HD   ARG   1          2HD       ARG   1  -4.560  19.081   3.930
   11    HE   ARG   1           HE       ARG   1  -5.062  20.486   6.513
   12   1HH1  ARG   1          1HH1      ARG   1  -2.736  19.173   4.520
   13   2HH1  ARG   1          2HH1      ARG   1  -1.930  18.256   5.749
   14   1HH2  ARG   1          1HH2      ARG   1  -4.368  18.831   8.148
   15   2HH2  ARG   1          2HH2      ARG   1  -2.854  18.062   7.803
   16    H    LYS   2           H        LYS   2  -3.301  19.236   2.358
   17    HA   LYS   2           HA       LYS   2  -2.668  18.287  -0.363
   18   1HB   LYS   2          1HB       LYS   2  -1.955  17.023   2.298
   19   2HB   LYS   2          2HB       LYS   2  -1.210  16.698   0.731
   20   1HG   LYS   2          1HG       LYS   2  -1.080  19.507   1.140
   21   2HG   LYS   2          2HG       LYS   2  -0.542  18.743   2.636
   22   1HD   LYS   2          1HD       LYS   2   1.428  18.251   1.674
   23   2HD   LYS   2          2HD       LYS   2   0.587  17.280   0.464
   24   1HE   LYS   2          1HE       LYS   2   0.637  20.269   0.180
   25   2HE   LYS   2          2HE       LYS   2   2.047  19.328  -0.305
   26   1HZ   LYS   2          1HZ       LYS   2  -0.544  18.359  -1.212
   27   2HZ   LYS   2          2HZ       LYS   2   0.009  19.799  -1.920
   28   3HZ   LYS   2          3HZ       LYS   2   0.951  18.389  -2.019
   29    H    LYS   3           H        LYS   3  -5.362  18.131  -0.124
   30    HA   LYS   3           HA       LYS   3  -6.181  15.590   0.970
   31   1HB   LYS   3          1HB       LYS   3  -8.353  16.258   0.499
   32   2HB   LYS   3          2HB       LYS   3  -7.549  17.826   0.598
   33   1HG   LYS   3          1HG       LYS   3  -7.192  17.747  -1.875
   34   2HG   LYS   3          2HG       LYS   3  -8.136  16.259  -1.930
   35   1HD   LYS   3          1HD       LYS   3  -9.698  17.974  -2.435
   36   2HD   LYS   3          2HD       LYS   3  -9.987  17.593  -0.736
   37   1HE   LYS   3          1HE       LYS   3  -8.033  19.503  -0.537
   38   2HE   LYS   3          2HE       LYS   3  -8.922  20.060  -1.954
   39   1HZ   LYS   3          1HZ       LYS   3 -10.888  19.350  -0.242
   40   2HZ   LYS   3          2HZ       LYS   3  -9.720  20.003   0.807
   41   3HZ   LYS   3          3HZ       LYS   3 -10.321  20.936  -0.476
   42    H    LEU   4           H        LEU   4  -4.306  16.118  -1.467
   43    HA   LEU   4           HA       LEU   4  -5.586  14.366  -3.446
   44   1HB   LEU   4          1HB       LEU   4  -4.065  16.459  -3.940
   45   2HB   LEU   4          2HB       LEU   4  -2.748  15.318  -3.667
   46    HG   LEU   4           HG       LEU   4  -3.289  15.327  -6.039
   47   1HD1  LEU   4          1HD1      LEU   4  -2.842  13.134  -4.733
   48   2HD1  LEU   4          2HD1      LEU   4  -4.567  12.827  -4.929
   49   3HD1  LEU   4          3HD1      LEU   4  -3.535  12.992  -6.348
   50   1HD2  LEU   4          1HD2      LEU   4  -5.973  15.564  -5.014
   51   2HD2  LEU   4          2HD2      LEU   4  -5.410  15.756  -6.676
   52   3HD2  LEU   4          3HD2      LEU   4  -5.880  14.163  -6.083
   53    H    GLU   5           H        GLU   5  -2.313  14.418  -2.013
   54    HA   GLU   5           HA       GLU   5  -1.856  11.633  -2.347
   55   1HB   GLU   5          1HB       GLU   5   0.054  11.956  -0.960
   56   2HB   GLU   5          2HB       GLU   5  -0.165  13.491  -1.801
   57   1HG   GLU   5          1HG       GLU   5  -0.143  14.444   0.251
   58   2HG   GLU   5          2HG       GLU   5  -1.765  13.780   0.441
   59    H    GLU   6           H        GLU   6  -3.640  13.476  -0.025
   60    HA   GLU   6           HA       GLU   6  -3.708  11.642   2.147
   61   1HB   GLU   6          1HB       GLU   6  -5.182  14.016   1.282
   62   2HB   GLU   6          2HB       GLU   6  -6.223  12.844   2.092
   63   1HG   GLU   6          1HG       GLU   6  -3.567  13.403   3.332
   64   2HG   GLU   6          2HG       GLU   6  -4.806  14.652   3.465
   65    H    LEU   7           H        LEU   7  -5.975  12.060  -0.592
   66    HA   LEU   7           HA       LEU   7  -7.556   9.772   0.093
   67   1HB   LEU   7          1HB       LEU   7  -7.269  11.536  -2.304
   68   2HB   LEU   7          2HB       LEU   7  -8.148  10.016  -2.471
   69    HG   LEU   7           HG       LEU   7  -9.454  12.170  -1.754
   70   1HD1  LEU   7          1HD1      LEU   7  -9.654   9.498  -0.335
   71   2HD1  LEU   7          2HD1      LEU   7 -10.910  10.735  -0.274
   72   3HD1  LEU   7          3HD1      LEU   7 -10.491   9.979  -1.811
   73   1HD2  LEU   7          1HD2      LEU   7  -7.845  12.742   0.068
   74   2HD2  LEU   7          2HD2      LEU   7  -9.488  12.530   0.670
   75   3HD2  LEU   7          3HD2      LEU   7  -8.295  11.252   0.897
   76    H    GLU   8           H        GLU   8  -4.997  10.225  -2.391
   77    HA   GLU   8           HA       GLU   8  -4.971   7.682  -3.496
   78   1HB   GLU   8          1HB       GLU   8  -2.756   8.073  -4.155
   79   2HB   GLU   8          2HB       GLU   8  -3.326   9.713  -3.841
   80   1HG   GLU   8          1HG       GLU   8  -1.464   9.836  -2.527
   81   2HG   GLU   8          2HG       GLU   8  -2.477   8.993  -1.355
   82    H    ARG   9           H        ARG   9  -4.116   8.609  -0.261
   83    HA   ARG   9           HA       ARG   9  -2.838   6.076   0.393
   84   1HB   ARG   9          1HB       ARG   9  -3.617   8.557   1.871
   85   2HB   ARG   9          2HB       ARG   9  -3.330   7.084   2.799
   86   1HG   ARG   9          1HG       ARG   9  -1.152   6.952   1.290
   87   2HG   ARG   9          2HG       ARG   9  -1.411   8.692   1.151
   88   1HD   ARG   9          1HD       ARG   9   0.014   8.383   3.051
   89   2HD   ARG   9          2HD       ARG   9  -1.588   8.738   3.695
   90    HE   ARG   9           HE       ARG   9  -0.897   5.881   3.380
   91   1HH1  ARG   9          1HH2      ARG   9   0.709   7.461   5.508
   92   2HH1  ARG   9          2HH2      ARG   9  -0.226   7.108   6.923
   93   1HH2  ARG   9          1HH1      ARG   9  -2.962   5.935   5.142
   94   2HH2  ARG   9          2HH1      ARG   9  -2.309   6.244   6.715
   95    H    ASP  10           H        ASP  10  -5.979   7.622   0.915
   96    HA   ASP  10           HA       ASP  10  -7.121   5.559   2.521
   97   1HB   ASP  10          1HB       ASP  10  -7.933   8.031   1.719
   98   2HB   ASP  10          2HB       ASP  10  -8.944   7.008   0.698
   99    H    LEU  11           H        LEU  11  -7.221   6.073  -1.038
  100    HA   LEU  11           HA       LEU  11  -8.846   3.749  -1.498
  101   1HB   LEU  11          1HB       LEU  11  -8.225   4.114  -3.860
  102   2HB   LEU  11          2HB       LEU  11  -8.732   5.615  -3.085
  103    HG   LEU  11           HG       LEU  11  -6.134   5.804  -2.554
  104   1HD1  LEU  11          1HD1      LEU  11  -6.299   3.551  -4.325
  105   2HD1  LEU  11          2HD1      LEU  11  -5.471   4.865  -5.159
  106   3HD1  LEU  11          3HD1      LEU  11  -4.861   4.279  -3.612
  107   1HD2  LEU  11          1HD2      LEU  11  -7.768   6.546  -4.940
  108   2HD2  LEU  11          2HD2      LEU  11  -6.968   7.586  -3.761
  109   3HD2  LEU  11          3HD2      LEU  11  -6.028   6.814  -5.039
  110    H    ARG  12           H        ARG  12  -5.385   4.389  -1.408
  111    HA   ARG  12           HA       ARG  12  -4.584   1.810  -2.411
  112   1HB   ARG  12          1HB       ARG  12  -3.304   4.175  -1.187
  113   2HB   ARG  12          2HB       ARG  12  -2.475   2.646  -0.896
  114   1HG   ARG  12          1HG       ARG  12  -3.168   2.518  -3.589
  115   2HG   ARG  12          2HG       ARG  12  -2.676   4.196  -3.360
  116   1HD   ARG  12          1HD       ARG  12  -0.612   3.318  -2.174
  117   2HD   ARG  12          2HD       ARG  12  -1.075   1.708  -2.725
  118    HE   ARG  12           HE       ARG  12  -1.043   2.942  -5.084
  119   1HH1  ARG  12          1HH2      ARG  12   1.443   1.699  -3.570
  120   2HH1  ARG  12          2HH2      ARG  12   2.636   2.882  -3.990
  121   1HH2  ARG  12          1HH1      ARG  12   0.323   5.202  -5.123
  122   2HH2  ARG  12          2HH1      ARG  12   2.003   4.864  -4.869
  123    H    LYS  13           H        LYS  13  -5.471   3.092   0.715
  124    HA   LYS  13           HA       LYS  13  -4.371   1.062   2.380
  125   1HB   LYS  13          1HB       LYS  13  -5.958   3.339   2.735
  126   2HB   LYS  13          2HB       LYS  13  -6.978   2.009   3.284
  127   1HG   LYS  13          1HG       LYS  13  -5.708   1.669   5.123
  128   2HG   LYS  13          2HG       LYS  13  -4.209   1.752   4.196
  129   1HD   LYS  13          1HD       LYS  13  -3.855   3.898   4.798
  130   2HD   LYS  13          2HD       LYS  13  -5.506   4.354   4.371
  131   1HE   LYS  13          1HE       LYS  13  -6.155   4.318   6.528
  132   2HE   LYS  13          2HE       LYS  13  -5.464   2.714   6.769
  133   1HZ   LYS  13          1HZ       LYS  13  -3.328   4.450   6.547
  134   2HZ   LYS  13          2HZ       LYS  13  -4.443   5.231   7.563
  135   3HZ   LYS  13          3HZ       LYS  13  -3.878   3.677   7.952
  136    H    LEU  14           H        LEU  14  -7.259   1.188   0.384
  137    HA   LEU  14           HA       LEU  14  -8.472  -1.188   1.486
  138   1HB   LEU  14          1HB       LEU  14  -9.392   0.786  -0.118
  139   2HB   LEU  14          2HB       LEU  14  -9.020  -0.433  -1.338
  140    HG   LEU  14           HG       LEU  14 -10.270  -1.982   0.502
  141   1HD1  LEU  14          1HD1      LEU  14 -10.671   0.462   1.608
  142   2HD1  LEU  14          2HD1      LEU  14 -12.084   0.367   0.558
  143   3HD1  LEU  14          3HD1      LEU  14 -11.811  -0.872   1.782
  144   1HD2  LEU  14          1HD2      LEU  14 -11.434  -0.317  -1.744
  145   2HD2  LEU  14          2HD2      LEU  14 -10.896  -1.995  -1.811
  146   3HD2  LEU  14          3HD2      LEU  14 -12.355  -1.573  -0.916
  147    H    LYS  15           H        LYS  15  -7.148  -0.677  -1.783
  148    HA   LYS  15           HA       LYS  15  -6.825  -3.268  -2.635
  149   1HB   LYS  15          1HB       LYS  15  -5.323  -0.748  -3.079
  150   2HB   LYS  15          2HB       LYS  15  -4.490  -2.234  -3.537
  151   1HG   LYS  15          1HG       LYS  15  -6.582  -2.899  -4.804
  152   2HG   LYS  15          2HG       LYS  15  -7.188  -1.268  -4.508
  153   1HD   LYS  15          1HD       LYS  15  -4.554  -0.944  -5.463
  154   2HD   LYS  15          2HD       LYS  15  -5.294  -2.162  -6.500
  155   1HE   LYS  15          1HE       LYS  15  -6.675   0.439  -5.812
  156   2HE   LYS  15          2HE       LYS  15  -5.638   0.260  -7.227
  157   1HZ   LYS  15          1HZ       LYS  15  -7.354  -1.916  -7.209
  158   2HZ   LYS  15          2HZ       LYS  15  -8.316  -0.555  -6.885
  159   3HZ   LYS  15          3HZ       LYS  15  -7.359  -0.606  -8.286
  160    H    LYS  16           H        LYS  16  -5.049  -1.676  -0.093
  161    HA   LYS  16           HA       LYS  16  -2.771  -3.358   0.046
  162   1HB   LYS  16          1HB       LYS  16  -4.194  -1.530   1.867
  163   2HB   LYS  16          2HB       LYS  16  -3.311  -2.820   2.685
  164   1HG   LYS  16          1HG       LYS  16  -1.609  -1.900   0.629
  165   2HG   LYS  16          2HG       LYS  16  -2.271  -0.454   1.392
  166   1HD   LYS  16          1HD       LYS  16  -1.082  -0.790   3.285
  167   2HD   LYS  16          2HD       LYS  16  -1.518  -2.498   3.344
  168   1HE   LYS  16          1HE       LYS  16   0.709  -1.232   1.728
  169   2HE   LYS  16          2HE       LYS  16   0.872  -2.385   3.052
  170   1HZ   LYS  16          1HZ       LYS  16  -0.662  -3.808   1.495
  171   2HZ   LYS  16          2HZ       LYS  16   0.026  -2.831   0.287
  172   3HZ   LYS  16          3HZ       LYS  16   1.021  -3.781   1.283
  173    H    LYS  17           H        LYS  17  -5.899  -3.674   1.744
  174    HA   LYS  17           HA       LYS  17  -5.192  -6.372   2.626
  175   1HB   LYS  17          1HB       LYS  17  -7.213  -4.373   3.288
  176   2HB   LYS  17          2HB       LYS  17  -7.892  -5.997   3.168
  177   1HG   LYS  17          1HG       LYS  17  -6.263  -6.852   4.755
  178   2HG   LYS  17          2HG       LYS  17  -5.430  -5.298   4.792
  179   1HD   LYS  17          1HD       LYS  17  -6.972  -4.359   6.180
  180   2HD   LYS  17          2HD       LYS  17  -8.322  -5.173   5.389
  181   1HE   LYS  17          1HE       LYS  17  -7.355  -7.330   6.489
  182   2HE   LYS  17          2HE       LYS  17  -6.502  -6.209   7.551
  183   1HZ   LYS  17          1HZ       LYS  17  -8.970  -5.189   7.577
  184   2HZ   LYS  17          2HZ       LYS  17  -9.322  -6.843   7.414
  185   3HZ   LYS  17          3HZ       LYS  17  -8.392  -6.299   8.725
  186    H    ILE  18           H        ILE  18  -7.624  -4.906   0.460
  187    HA   ILE  18           HA       ILE  18  -8.846  -7.306  -0.381
  188    HB   ILE  18           HB       ILE  18 -10.075  -5.490  -1.053
  189   1HG1  ILE  18          1HG1      ILE  18  -8.176  -5.901  -3.373
  190   2HG1  ILE  18          2HG1      ILE  18  -9.741  -6.681  -3.130
  191   1HG2  ILE  18          1HG2      ILE  18  -7.407  -4.187  -1.201
  192   2HG2  ILE  18          2HG2      ILE  18  -8.708  -3.475  -2.154
  193   3HG2  ILE  18          3HG2      ILE  18  -8.881  -3.639  -0.406
  194   1HD1  ILE  18          1HD1      ILE  18 -10.697  -4.268  -3.097
  195   2HD1  ILE  18          2HD1      ILE  18  -9.158  -3.803  -3.822
  196   3HD1  ILE  18          3HD1      ILE  18 -10.218  -4.937  -4.658
  197    H    LYS  19           H        LYS  19  -6.316  -5.387  -2.045
  198    HA   LYS  19           HA       LYS  19  -5.831  -7.225  -4.134
  199   1HB   LYS  19          1HB       LYS  19  -4.840  -4.812  -3.605
  200   2HB   LYS  19          2HB       LYS  19  -3.510  -5.763  -2.942
  201   1HG   LYS  19          1HG       LYS  19  -2.881  -5.491  -5.189
  202   2HG   LYS  19          2HG       LYS  19  -3.647  -7.080  -5.188
  203   1HD   LYS  19          1HD       LYS  19  -5.823  -5.538  -5.622
  204   2HD   LYS  19          2HD       LYS  19  -4.590  -4.526  -6.376
  205   1HE   LYS  19          1HE       LYS  19  -4.127  -7.257  -7.128
  206   2HE   LYS  19          2HE       LYS  19  -5.817  -6.858  -7.445
  207   1HZ   LYS  19          1HZ       LYS  19  -4.198  -4.696  -8.218
  208   2HZ   LYS  19          2HZ       LYS  19  -3.577  -6.113  -8.922
  209   3HZ   LYS  19          3HZ       LYS  19  -5.194  -5.673  -9.188
  210    H    LYS  20           H        LYS  20  -4.807  -7.290  -0.782
  211    HA   LYS  20           HA       LYS  20  -2.785  -9.324  -1.156
  212   1HB   LYS  20          1HB       LYS  20  -3.517  -7.653   0.924
  213   2HB   LYS  20          2HB       LYS  20  -4.048  -9.238   1.488
  214   1HG   LYS  20          1HG       LYS  20  -1.620  -9.904   0.499
  215   2HG   LYS  20          2HG       LYS  20  -1.298  -8.236   0.972
  216   1HD   LYS  20          1HD       LYS  20  -1.909  -8.655   3.241
  217   2HD   LYS  20          2HD       LYS  20  -2.632 -10.213   2.833
  218   1HE   LYS  20          1HE       LYS  20  -0.645 -11.272   2.987
  219   2HE   LYS  20          2HE       LYS  20   0.152 -10.062   1.980
  220   1HZ   LYS  20          1HZ       LYS  20  -0.564  -9.353   4.734
  221   2HZ   LYS  20          2HZ       LYS  20   0.788 -10.345   4.480
  222   3HZ   LYS  20          3HZ       LYS  20   0.725  -8.801   3.774
  223    H    LEU  21           H        LEU  21  -6.215  -9.333  -0.224
  224    HA   LEU  21           HA       LEU  21  -6.454 -12.075   0.423
  225   1HB   LEU  21          1HB       LEU  21  -8.734 -11.723   0.391
  226   2HB   LEU  21          2HB       LEU  21  -8.186 -10.050   0.461
  227    HG   LEU  21           HG       LEU  21  -8.218 -10.170  -2.140
  228   1HD1  LEU  21          1HD1      LEU  21  -9.244 -12.780  -1.386
  229   2HD1  LEU  21          2HD1      LEU  21 -10.427 -11.892  -2.346
  230   3HD1  LEU  21          3HD1      LEU  21  -8.807 -12.178  -2.984
  231   1HD2  LEU  21          1HD2      LEU  21  -9.893  -9.091  -0.391
  232   2HD2  LEU  21          2HD2      LEU  21 -10.318  -9.179  -2.100
  233   3HD2  LEU  21          3HD2      LEU  21 -10.968 -10.365  -0.969
  234    H    GLU  22           H        GLU  22  -6.558 -10.445  -2.711
  235    HA   GLU  22           HA       GLU  22  -7.053 -12.949  -4.128
  236   1HB   GLU  22          1HB       GLU  22  -6.725 -11.497  -6.171
  237   2HB   GLU  22          2HB       GLU  22  -8.014 -10.958  -5.095
  238   1HG   GLU  22          1HG       GLU  22  -6.764  -9.159  -4.279
  239   2HG   GLU  22          2HG       GLU  22  -5.227  -9.898  -4.729
  240    H    GLU  23           H        GLU  23  -4.331 -11.114  -3.055
  241    HA   GLU  23           HA       GLU  23  -2.394 -11.977  -4.970
  242   1HB   GLU  23          1HB       GLU  23  -2.355 -10.792  -2.251
  243   2HB   GLU  23          2HB       GLU  23  -0.912 -11.695  -2.712
  244   1HG   GLU  23          1HG       GLU  23  -0.872 -10.359  -4.859
  245   2HG   GLU  23          2HG       GLU  23  -2.152  -9.354  -4.177
  246    H    ASP  24           H        ASP  24  -2.137 -13.038  -1.605
  247    HA   ASP  24           HA       ASP  24  -1.409 -15.134  -0.796
  248   1HB   ASP  24          1HB       ASP  24  -4.001 -15.271  -1.888
  249   2HB   ASP  24          2HB       ASP  24  -3.174 -16.722  -2.460
  250    H    ASN  25           H        ASN  25   0.133 -14.185  -3.030
  251    HA   ASN  25           HA       ASN  25   0.557 -15.810  -5.203
  252   1HB   ASN  25          1HB       ASN  25   2.832 -15.110  -5.187
  253   2HB   ASN  25          2HB       ASN  25   1.939 -13.804  -4.409
  254   1HD2  ASN  25          2HD2      ASN  25   4.504 -16.066  -3.969
  255   2HD2  ASN  25          1HD2      ASN  25   4.766 -15.782  -2.315
  256    HA   PRO  26           HA       PRO  26   1.630 -19.801  -3.727
  257   1HB   PRO  26          1HB       PRO  26   3.136 -20.646  -5.863
  258   2HB   PRO  26          2HB       PRO  26   1.369 -20.518  -5.902
  259   1HG   PRO  26          1HG       PRO  26   3.406 -18.742  -7.159
  260   2HG   PRO  26          2HG       PRO  26   1.730 -19.042  -7.643
  261   1HD   PRO  26          1HD       PRO  26   2.676 -16.765  -6.246
  262   2HD   PRO  26          2HD       PRO  26   0.974 -17.232  -6.455
  263    H    TRP  27           H        TRP  27   4.537 -18.926  -5.594
  264    HA   TRP  27           HA       TRP  27   6.333 -19.974  -3.621
  265   1HB   TRP  27          1HB       TRP  27   6.965 -19.704  -5.998
  266   2HB   TRP  27          2HB       TRP  27   6.880 -17.951  -5.819
  267    HD1  TRP  27           HD1      TRP  27   9.236 -17.029  -5.674
  268    HE1  TRP  27           HE1      TRP  27  11.409 -17.685  -4.453
  269    HE3  TRP  27           HE3      TRP  27   7.736 -21.394  -3.492
  270    HZ2  TRP  27           HZ2      TRP  27  12.382 -19.784  -2.770
  271    HZ3  TRP  27           HZ3      TRP  27   9.303 -22.701  -2.086
  272    HH2  TRP  27           HH2      TRP  27  11.623 -21.903  -1.723
  Start of MODEL    7
    1   1H    ARG   1          1H        ARG   1  -5.879  21.710   2.071
    2   2H    ARG   1          2H        ARG   1  -6.819  22.936   1.370
    3   3H    ARG   1          3H        ARG   1  -7.402  22.089   2.723
    4    HA   ARG   1           HA       ARG   1  -8.251  20.474   1.484
    5   1HB   ARG   1          1HB       ARG   1  -8.432  22.710   0.042
    6   2HB   ARG   1          2HB       ARG   1  -7.375  21.808  -1.045
    7   1HG   ARG   1          1HG       ARG   1  -9.095  20.538  -1.749
    8   2HG   ARG   1          2HG       ARG   1  -9.497  20.097  -0.089
    9   1HD   ARG   1          1HD       ARG   1 -10.283  22.807  -0.452
   10   2HD   ARG   1          2HD       ARG   1 -10.885  21.897  -1.838
   11    HE   ARG   1           HE       ARG   1 -11.414  20.524   0.663
   12   1HH1  ARG   1          1HH1      ARG   1 -12.840  21.716  -2.067
   13   2HH1  ARG   1          2HH1      ARG   1 -14.305  22.252  -1.313
   14   1HH2  ARG   1          1HH2      ARG   1 -13.127  21.788   1.916
   15   2HH2  ARG   1          2HH2      ARG   1 -14.467  22.295   0.941
   16    H    LYS   2           H        LYS   2  -5.684  19.789   2.284
   17    HA   LYS   2           HA       LYS   2  -4.158  18.840  -0.035
   18   1HB   LYS   2          1HB       LYS   2  -3.812  18.855   2.923
   19   2HB   LYS   2          2HB       LYS   2  -2.992  17.574   2.030
   20   1HG   LYS   2          1HG       LYS   2  -1.893  19.216   0.599
   21   2HG   LYS   2          2HG       LYS   2  -2.781  20.527   1.375
   22   1HD   LYS   2          1HD       LYS   2  -1.350  20.592   3.121
   23   2HD   LYS   2          2HD       LYS   2  -1.391  18.840   3.313
   24   1HE   LYS   2          1HE       LYS   2   0.096  18.805   1.173
   25   2HE   LYS   2          2HE       LYS   2   0.401  20.500   1.554
   26   1HZ   LYS   2          1HZ       LYS   2   1.120  19.821   3.768
   27   2HZ   LYS   2          2HZ       LYS   2   0.868  18.194   3.364
   28   3HZ   LYS   2          3HZ       LYS   2   2.065  19.092   2.560
   29    H    LYS   3           H        LYS   3  -6.762  17.809  -0.113
   30    HA   LYS   3           HA       LYS   3  -6.641  15.097   0.965
   31   1HB   LYS   3          1HB       LYS   3  -8.723  16.768  -0.375
   32   2HB   LYS   3          2HB       LYS   3  -8.881  15.014  -0.475
   33   1HG   LYS   3          1HG       LYS   3  -8.944  14.785   1.903
   34   2HG   LYS   3          2HG       LYS   3  -8.419  16.452   2.145
   35   1HD   LYS   3          1HD       LYS   3 -10.537  17.210   2.022
   36   2HD   LYS   3          2HD       LYS   3 -10.809  16.354   0.503
   37   1HE   LYS   3          1HE       LYS   3 -10.802  14.279   2.286
   38   2HE   LYS   3          2HE       LYS   3 -11.516  15.564   3.258
   39   1HZ   LYS   3          1HZ       LYS   3 -12.824  15.917   0.986
   40   2HZ   LYS   3          2HZ       LYS   3 -12.545  14.244   0.881
   41   3HZ   LYS   3          3HZ       LYS   3 -13.377  14.881   2.214
   42    H    LEU   4           H        LEU   4  -4.820  16.130  -1.154
   43    HA   LEU   4           HA       LEU   4  -5.530  14.483  -3.482
   44   1HB   LEU   4          1HB       LEU   4  -4.493  16.725  -3.817
   45   2HB   LEU   4          2HB       LEU   4  -3.053  16.156  -2.973
   46    HG   LEU   4           HG       LEU   4  -3.012  16.044  -5.546
   47   1HD1  LEU   4          1HD1      LEU   4  -1.673  14.653  -3.711
   48   2HD1  LEU   4          2HD1      LEU   4  -2.585  13.312  -4.403
   49   3HD1  LEU   4          3HD1      LEU   4  -1.523  14.278  -5.427
   50   1HD2  LEU   4          1HD2      LEU   4  -5.359  15.101  -5.664
   51   2HD2  LEU   4          2HD2      LEU   4  -4.162  14.186  -6.580
   52   3HD2  LEU   4          3HD2      LEU   4  -4.717  13.593  -5.016
   53    H    GLU   5           H        GLU   5  -2.436  14.849  -1.754
   54    HA   GLU   5           HA       GLU   5  -1.705  12.107  -2.218
   55   1HB   GLU   5          1HB       GLU   5   0.287  12.638  -1.101
   56   2HB   GLU   5          2HB       GLU   5  -0.212  14.212  -1.719
   57   1HG   GLU   5          1HG       GLU   5   0.134  14.816   0.471
   58   2HG   GLU   5          2HG       GLU   5  -1.532  14.252   0.623
   59    H    GLU   6           H        GLU   6  -3.400  13.852   0.285
   60    HA   GLU   6           HA       GLU   6  -3.187  11.970   2.406
   61   1HB   GLU   6          1HB       GLU   6  -5.007  14.196   1.677
   62   2HB   GLU   6          2HB       GLU   6  -5.675  12.994   2.782
   63   1HG   GLU   6          1HG       GLU   6  -2.912  13.991   3.319
   64   2HG   GLU   6          2HG       GLU   6  -4.261  15.069   3.683
   65    H    LEU   7           H        LEU   7  -5.914  12.379   0.110
   66    HA   LEU   7           HA       LEU   7  -7.118   9.893   0.855
   67   1HB   LEU   7          1HB       LEU   7  -7.736  12.065  -0.873
   68   2HB   LEU   7          2HB       LEU   7  -7.828  10.587  -1.832
   69    HG   LEU   7           HG       LEU   7  -9.357  11.308   0.659
   70   1HD1  LEU   7          1HD1      LEU   7  -9.887  10.867  -2.191
   71   2HD1  LEU   7          2HD1      LEU   7 -10.978   9.964  -1.138
   72   3HD1  LEU   7          3HD1      LEU   7 -10.859  11.717  -0.986
   73   1HD2  LEU   7          1HD2      LEU   7  -8.361   8.661  -0.179
   74   2HD2  LEU   7          2HD2      LEU   7  -8.995   9.178   1.384
   75   3HD2  LEU   7          3HD2      LEU   7 -10.103   8.718   0.091
   76    H    GLU   8           H        GLU   8  -4.929  10.795  -1.822
   77    HA   GLU   8           HA       GLU   8  -4.955   8.488  -3.353
   78   1HB   GLU   8          1HB       GLU   8  -2.982   9.244  -4.215
   79   2HB   GLU   8          2HB       GLU   8  -3.267  10.645  -3.185
   80   1HG   GLU   8          1HG       GLU   8  -1.931   9.641  -1.397
   81   2HG   GLU   8          2HG       GLU   8  -1.703   8.181  -2.359
   82    H    ARG   9           H        ARG   9  -3.704   8.931  -0.119
   83    HA   ARG   9           HA       ARG   9  -2.427   6.336   0.044
   84   1HB   ARG   9          1HB       ARG   9  -2.966   8.615   1.856
   85   2HB   ARG   9          2HB       ARG   9  -2.873   7.036   2.634
   86   1HG   ARG   9          1HG       ARG   9  -0.692   6.647   1.452
   87   2HG   ARG   9          2HG       ARG   9  -0.770   8.306   0.861
   88   1HD   ARG   9          1HD       ARG   9   0.611   8.168   2.899
   89   2HD   ARG   9          2HD       ARG   9  -0.836   9.136   3.184
   90    HE   ARG   9           HE       ARG   9  -1.540   6.532   3.926
   91   1HH1  ARG   9          1HH1      ARG   9   1.391   6.427   4.716
   92   2HH1  ARG   9          2HH1      ARG   9   1.322   6.965   6.361
   93   1HH2  ARG   9          1HH2      ARG   9  -1.875   8.277   6.077
   94   2HH2  ARG   9          2HH2      ARG   9  -0.529   8.007   7.132
   95    H    ASP  10           H        ASP  10  -5.529   7.724   1.109
   96    HA   ASP  10           HA       ASP  10  -6.485   5.353   2.396
   97   1HB   ASP  10          1HB       ASP  10  -7.457   7.970   1.864
   98   2HB   ASP  10          2HB       ASP  10  -8.657   6.837   1.242
   99    H    LEU  11           H        LEU  11  -6.169   6.213  -0.940
  100    HA   LEU  11           HA       LEU  11  -8.174   4.310  -1.859
  101   1HB   LEU  11          1HB       LEU  11  -7.887   5.262  -3.920
  102   2HB   LEU  11          2HB       LEU  11  -7.169   6.557  -2.965
  103    HG   LEU  11           HG       LEU  11  -4.947   5.233  -3.245
  104   1HD1  LEU  11          1HD1      LEU  11  -6.774   3.573  -4.697
  105   2HD1  LEU  11          2HD1      LEU  11  -5.625   4.266  -5.844
  106   3HD1  LEU  11          3HD1      LEU  11  -5.042   3.341  -4.460
  107   1HD2  LEU  11          1HD2      LEU  11  -5.938   7.386  -4.487
  108   2HD2  LEU  11          2HD2      LEU  11  -4.405   6.660  -4.973
  109   3HD2  LEU  11          3HD2      LEU  11  -5.877   6.297  -5.873
  110    H    ARG  12           H        ARG  12  -4.641   4.491  -1.653
  111    HA   ARG  12           HA       ARG  12  -4.227   1.921  -2.911
  112   1HB   ARG  12          1HB       ARG  12  -2.549   3.959  -1.533
  113   2HB   ARG  12          2HB       ARG  12  -1.921   2.311  -1.599
  114   1HG   ARG  12          1HG       ARG  12  -1.745   2.319  -3.904
  115   2HG   ARG  12          2HG       ARG  12  -3.055   3.483  -4.103
  116   1HD   ARG  12          1HD       ARG  12  -1.574   5.171  -4.192
  117   2HD   ARG  12          2HD       ARG  12  -0.937   4.720  -2.609
  118    HE   ARG  12           HE       ARG  12   0.553   3.090  -3.872
  119   1HH1  ARG  12          1HH2      ARG  12   0.524   6.282  -4.499
  120   2HH1  ARG  12          2HH2      ARG  12   1.091   6.198  -6.133
  121   1HH2  ARG  12          1HH1      ARG  12   0.673   2.764  -6.381
  122   2HH2  ARG  12          2HH1      ARG  12   1.176   4.205  -7.201
  123    H    LYS  13           H        LYS  13  -4.709   3.062   0.371
  124    HA   LYS  13           HA       LYS  13  -3.760   0.856   1.843
  125   1HB   LYS  13          1HB       LYS  13  -5.315   3.151   2.367
  126   2HB   LYS  13          2HB       LYS  13  -6.283   1.782   2.917
  127   1HG   LYS  13          1HG       LYS  13  -4.788   1.205   4.559
  128   2HG   LYS  13          2HG       LYS  13  -3.392   1.730   3.617
  129   1HD   LYS  13          1HD       LYS  13  -3.416   3.786   4.549
  130   2HD   LYS  13          2HD       LYS  13  -5.155   3.956   4.294
  131   1HE   LYS  13          1HE       LYS  13  -5.571   2.545   6.292
  132   2HE   LYS  13          2HE       LYS  13  -3.832   2.438   6.562
  133   1HZ   LYS  13          1HZ       LYS  13  -3.787   4.884   6.695
  134   2HZ   LYS  13          2HZ       LYS  13  -5.482   4.905   6.584
  135   3HZ   LYS  13          3HZ       LYS  13  -4.731   4.175   7.918
  136    H    LEU  14           H        LEU  14  -6.503   1.118  -0.265
  137    HA   LEU  14           HA       LEU  14  -7.941  -1.149   0.800
  138   1HB   LEU  14          1HB       LEU  14  -8.098   0.489  -1.718
  139   2HB   LEU  14          2HB       LEU  14  -9.040  -0.996  -1.559
  140    HG   LEU  14           HG       LEU  14  -9.131   0.924   0.719
  141   1HD1  LEU  14          1HD1      LEU  14  -9.966   1.564  -2.035
  142   2HD1  LEU  14          2HD1      LEU  14 -11.230   1.784  -0.824
  143   3HD1  LEU  14          3HD1      LEU  14  -9.696   2.639  -0.663
  144   1HD2  LEU  14          1HD2      LEU  14 -11.079  -0.913  -0.695
  145   2HD2  LEU  14          2HD2      LEU  14 -10.367  -1.137   0.902
  146   3HD2  LEU  14          3HD2      LEU  14 -11.542   0.150   0.634
  147    H    LYS  15           H        LYS  15  -6.386  -0.769  -2.391
  148    HA   LYS  15           HA       LYS  15  -6.246  -3.360  -3.247
  149   1HB   LYS  15          1HB       LYS  15  -4.348  -1.060  -3.458
  150   2HB   LYS  15          2HB       LYS  15  -3.818  -2.637  -4.042
  151   1HG   LYS  15          1HG       LYS  15  -4.927  -2.172  -5.954
  152   2HG   LYS  15          2HG       LYS  15  -6.414  -2.388  -5.033
  153   1HD   LYS  15          1HD       LYS  15  -5.739   0.159  -4.323
  154   2HD   LYS  15          2HD       LYS  15  -5.127   0.103  -5.977
  155   1HE   LYS  15          1HE       LYS  15  -7.215   0.233  -6.806
  156   2HE   LYS  15          2HE       LYS  15  -7.724  -1.155  -5.845
  157   1HZ   LYS  15          1HZ       LYS  15  -7.404   1.490  -4.590
  158   2HZ   LYS  15          2HZ       LYS  15  -8.830   1.109  -5.432
  159   3HZ   LYS  15          3HZ       LYS  15  -8.363   0.180  -4.093
  160    H    LYS  16           H        LYS  16  -4.483  -1.979  -0.569
  161    HA   LYS  16           HA       LYS  16  -2.485  -3.999  -0.290
  162   1HB   LYS  16          1HB       LYS  16  -3.685  -1.915   1.450
  163   2HB   LYS  16          2HB       LYS  16  -2.922  -3.269   2.286
  164   1HG   LYS  16          1HG       LYS  16  -1.166  -2.592   0.189
  165   2HG   LYS  16          2HG       LYS  16  -1.675  -1.059   0.895
  166   1HD   LYS  16          1HD       LYS  16  -0.206  -1.423   2.563
  167   2HD   LYS  16          2HD       LYS  16  -1.224  -2.766   3.084
  168   1HE   LYS  16          1HE       LYS  16   0.151  -4.346   2.163
  169   2HE   LYS  16          2HE       LYS  16   0.588  -3.319   0.797
  170   1HZ   LYS  16          1HZ       LYS  16   1.545  -2.878   3.570
  171   2HZ   LYS  16          2HZ       LYS  16   2.424  -3.727   2.389
  172   3HZ   LYS  16          3HZ       LYS  16   2.068  -2.080   2.167
  173    H    LYS  17           H        LYS  17  -5.682  -3.697   1.294
  174    HA   LYS  17           HA       LYS  17  -5.488  -6.381   2.399
  175   1HB   LYS  17          1HB       LYS  17  -7.480  -4.158   2.472
  176   2HB   LYS  17          2HB       LYS  17  -8.046  -5.789   2.832
  177   1HG   LYS  17          1HG       LYS  17  -5.522  -4.923   4.152
  178   2HG   LYS  17          2HG       LYS  17  -7.018  -4.182   4.725
  179   1HD   LYS  17          1HD       LYS  17  -7.993  -6.473   4.987
  180   2HD   LYS  17          2HD       LYS  17  -6.421  -7.149   4.560
  181   1HE   LYS  17          1HE       LYS  17  -5.626  -6.805   6.639
  182   2HE   LYS  17          2HE       LYS  17  -6.152  -5.122   6.620
  183   1HZ   LYS  17          1HZ       LYS  17  -8.255  -7.105   6.887
  184   2HZ   LYS  17          2HZ       LYS  17  -7.202  -6.973   8.213
  185   3HZ   LYS  17          3HZ       LYS  17  -8.061  -5.612   7.675
  186    H    ILE  18           H        ILE  18  -7.476  -4.817  -0.131
  187    HA   ILE  18           HA       ILE  18  -8.995  -7.056  -0.869
  188    HB   ILE  18           HB       ILE  18  -9.784  -5.209  -1.945
  189   1HG1  ILE  18          1HG1      ILE  18  -7.650  -6.169  -3.860
  190   2HG1  ILE  18          2HG1      ILE  18  -9.353  -6.632  -3.839
  191   1HG2  ILE  18          1HG2      ILE  18  -6.932  -4.327  -1.835
  192   2HG2  ILE  18          2HG2      ILE  18  -8.043  -3.497  -2.923
  193   3HG2  ILE  18          3HG2      ILE  18  -8.374  -3.539  -1.193
  194   1HD1  ILE  18          1HD1      ILE  18  -9.899  -4.177  -4.239
  195   2HD1  ILE  18          2HD1      ILE  18  -8.180  -3.930  -4.540
  196   3HD1  ILE  18          3HD1      ILE  18  -9.113  -4.998  -5.588
  197    H    LYS  19           H        LYS  19  -5.845  -5.965  -2.156
  198    HA   LYS  19           HA       LYS  19  -5.574  -8.172  -3.968
  199   1HB   LYS  19          1HB       LYS  19  -4.247  -6.027  -4.080
  200   2HB   LYS  19          2HB       LYS  19  -3.337  -6.586  -2.676
  201   1HG   LYS  19          1HG       LYS  19  -3.577  -8.501  -4.938
  202   2HG   LYS  19          2HG       LYS  19  -2.555  -7.090  -5.211
  203   1HD   LYS  19          1HD       LYS  19  -2.120  -8.290  -2.578
  204   2HD   LYS  19          2HD       LYS  19  -1.782  -9.412  -3.897
  205   1HE   LYS  19          1HE       LYS  19  -0.685  -6.962  -4.724
  206   2HE   LYS  19          2HE       LYS  19  -0.248  -7.111  -3.022
  207   1HZ   LYS  19          1HZ       LYS  19   0.038  -9.569  -4.470
  208   2HZ   LYS  19          2HZ       LYS  19   1.011  -8.330  -5.100
  209   3HZ   LYS  19          3HZ       LYS  19   1.148  -8.767  -3.464
  210    H    LYS  20           H        LYS  20  -5.101  -7.811  -0.565
  211    HA   LYS  20           HA       LYS  20  -3.320 -10.061  -0.224
  212   1HB   LYS  20          1HB       LYS  20  -3.660  -8.165   1.433
  213   2HB   LYS  20          2HB       LYS  20  -5.206  -8.908   1.841
  214   1HG   LYS  20          1HG       LYS  20  -3.916  -9.991   3.400
  215   2HG   LYS  20          2HG       LYS  20  -3.625 -11.080   2.044
  216   1HD   LYS  20          1HD       LYS  20  -1.438 -10.638   2.646
  217   2HD   LYS  20          2HD       LYS  20  -1.698  -9.315   1.509
  218   1HE   LYS  20          1HE       LYS  20  -2.577  -8.716   4.254
  219   2HE   LYS  20          2HE       LYS  20  -0.842  -9.001   4.104
  220   1HZ   LYS  20          1HZ       LYS  20  -1.291  -7.455   1.982
  221   2HZ   LYS  20          2HZ       LYS  20  -2.465  -6.844   3.048
  222   3HZ   LYS  20          3HZ       LYS  20  -0.827  -6.853   3.499
  223    H    LEU  21           H        LEU  21  -6.812  -9.642   0.499
  224    HA   LEU  21           HA       LEU  21  -7.315 -12.368   1.073
  225   1HB   LEU  21          1HB       LEU  21  -9.677 -11.767   0.689
  226   2HB   LEU  21          2HB       LEU  21  -8.853 -10.542   1.652
  227    HG   LEU  21           HG       LEU  21  -8.376  -9.476  -0.726
  228   1HD1  LEU  21          1HD1      LEU  21 -10.145 -11.642  -1.335
  229   2HD1  LEU  21          2HD1      LEU  21 -11.008 -10.131  -1.616
  230   3HD1  LEU  21          3HD1      LEU  21  -9.477 -10.438  -2.437
  231   1HD2  LEU  21          1HD2      LEU  21 -10.895  -9.358   0.932
  232   2HD2  LEU  21          2HD2      LEU  21  -9.559  -8.208   0.883
  233   3HD2  LEU  21          3HD2      LEU  21 -10.681  -8.315  -0.474
  234    H    GLU  22           H        GLU  22  -7.528 -10.551  -1.988
  235    HA   GLU  22           HA       GLU  22  -8.586 -12.708  -3.533
  236   1HB   GLU  22          1HB       GLU  22  -8.177 -11.372  -5.412
  237   2HB   GLU  22          2HB       GLU  22  -8.313 -10.173  -4.126
  238   1HG   GLU  22          1HG       GLU  22  -6.333  -9.470  -5.083
  239   2HG   GLU  22          2HG       GLU  22  -5.692 -10.634  -3.921
  240    H    GLU  23           H        GLU  23  -5.359 -11.973  -2.422
  241    HA   GLU  23           HA       GLU  23  -3.932 -13.632  -4.277
  242   1HB   GLU  23          1HB       GLU  23  -2.680 -12.016  -3.026
  243   2HB   GLU  23          2HB       GLU  23  -3.279 -12.649  -1.493
  244   1HG   GLU  23          1HG       GLU  23  -1.702 -14.265  -1.431
  245   2HG   GLU  23          2HG       GLU  23  -1.986 -14.710  -3.115
  246    H    ASP  24           H        ASP  24  -3.716 -14.433  -0.869
  247    HA   ASP  24           HA       ASP  24  -4.072 -16.458   0.264
  248   1HB   ASP  24          1HB       ASP  24  -6.393 -16.096  -0.900
  249   2HB   ASP  24          2HB       ASP  24  -5.851 -17.381  -1.980
  250    H    ASN  25           H        ASN  25  -1.870 -16.201  -1.541
  251    HA   ASN  25           HA       ASN  25  -1.727 -18.737  -3.036
  252   1HB   ASN  25          1HB       ASN  25  -0.035 -16.285  -2.790
  253   2HB   ASN  25          2HB       ASN  25   0.749 -17.785  -3.288
  254   1HD2  ASN  25          2HD2      ASN  25  -0.511 -18.990  -5.138
  255   2HD2  ASN  25          1HD2      ASN  25  -1.166 -18.008  -6.358
  256    HA   PRO  26           HA       PRO  26   0.448 -21.000   0.022
  257   1HB   PRO  26          1HB       PRO  26   2.183 -22.443  -1.551
  258   2HB   PRO  26          2HB       PRO  26   0.445 -22.778  -1.445
  259   1HG   PRO  26          1HG       PRO  26   1.977 -21.481  -3.651
  260   2HG   PRO  26          2HG       PRO  26   0.452 -22.380  -3.722
  261   1HD   PRO  26          1HD       PRO  26   0.720 -19.562  -3.790
  262   2HD   PRO  26          2HD       PRO  26  -0.789 -20.462  -3.527
  263    H    TRP  27           H        TRP  27   3.094 -20.569  -2.326
  264    HA   TRP  27           HA       TRP  27   4.836 -19.628  -0.136
  265   1HB   TRP  27          1HB       TRP  27   5.635 -19.924  -3.033
  266   2HB   TRP  27          2HB       TRP  27   6.652 -20.043  -1.597
  267    HD1  TRP  27           HD1      TRP  27   6.073 -22.328  -3.943
  268    HE1  TRP  27           HE1      TRP  27   5.415 -24.680  -3.120
  269    HE3  TRP  27           HE3      TRP  27   4.509 -21.201   0.784
  270    HZ2  TRP  27           HZ2      TRP  27   4.362 -25.920  -0.766
  271    HZ3  TRP  27           HZ3      TRP  27   3.683 -22.983   2.295
  272    HH2  TRP  27           HH2      TRP  27   3.607 -25.339   1.527
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1  -5.141  22.382   1.863
    2   2H    ARG   1          2H        ARG   1  -5.448  22.940   3.439
    3   3H    ARG   1          3H        ARG   1  -3.849  22.809   2.877
    4    HA   ARG   1           HA       ARG   1  -4.010  20.925   4.152
    5   1HB   ARG   1          1HB       ARG   1  -6.059  19.566   4.272
    6   2HB   ARG   1          2HB       ARG   1  -6.414  21.247   4.666
    7   1HG   ARG   1          1HG       ARG   1  -6.652  20.976   1.843
    8   2HG   ARG   1          2HG       ARG   1  -7.537  19.638   2.576
    9   1HD   ARG   1          1HD       ARG   1  -9.217  21.131   2.864
   10   2HD   ARG   1          2HD       ARG   1  -8.237  21.769   4.185
   11    HE   ARG   1           HE       ARG   1  -7.226  23.121   2.038
   12   1HH1  ARG   1          1HH1      ARG   1  -9.942  23.259   3.990
   13   2HH1  ARG   1          2HH1      ARG   1 -10.828  24.361   2.988
   14   1HH2  ARG   1          1HH2      ARG   1  -8.569  24.208   0.362
   15   2HH2  ARG   1          2HH2      ARG   1 -10.051  24.898   0.936
   16    H    LYS   2           H        LYS   2  -2.920  19.192   3.334
   17    HA   LYS   2           HA       LYS   2  -2.945  18.758   0.431
   18   1HB   LYS   2          1HB       LYS   2  -1.190  18.113   2.673
   19   2HB   LYS   2          2HB       LYS   2  -1.400  16.746   1.577
   20   1HG   LYS   2          1HG       LYS   2   0.178  17.744   0.298
   21   2HG   LYS   2          2HG       LYS   2  -1.098  18.874  -0.161
   22   1HD   LYS   2          1HD       LYS   2   0.169  20.509   0.740
   23   2HD   LYS   2          2HD       LYS   2  -0.197  19.809   2.317
   24   1HE   LYS   2          1HE       LYS   2   1.784  18.146   1.537
   25   2HE   LYS   2          2HE       LYS   2   2.277  19.608   0.686
   26   1HZ   LYS   2          1HZ       LYS   2   1.854  20.748   2.924
   27   2HZ   LYS   2          2HZ       LYS   2   1.929  19.187   3.584
   28   3HZ   LYS   2          3HZ       LYS   2   3.267  19.821   2.751
   29    H    LYS   3           H        LYS   3  -5.438  18.154   1.069
   30    HA   LYS   3           HA       LYS   3  -5.692  15.360   1.830
   31   1HB   LYS   3          1HB       LYS   3  -7.643  17.517   1.048
   32   2HB   LYS   3          2HB       LYS   3  -8.160  15.840   1.240
   33   1HG   LYS   3          1HG       LYS   3  -6.759  17.494   3.361
   34   2HG   LYS   3          2HG       LYS   3  -8.482  17.122   3.333
   35   1HD   LYS   3          1HD       LYS   3  -7.550  14.623   3.121
   36   2HD   LYS   3          2HD       LYS   3  -6.169  15.342   3.952
   37   1HE   LYS   3          1HE       LYS   3  -9.011  15.072   4.896
   38   2HE   LYS   3          2HE       LYS   3  -7.515  14.682   5.747
   39   1HZ   LYS   3          1HZ       LYS   3  -7.072  17.190   5.559
   40   2HZ   LYS   3          2HZ       LYS   3  -8.739  17.321   5.270
   41   3HZ   LYS   3          3HZ       LYS   3  -8.180  16.646   6.726
   42    H    LEU   4           H        LEU   4  -4.384  16.434  -0.703
   43    HA   LEU   4           HA       LEU   4  -5.985  15.118  -2.784
   44   1HB   LEU   4          1HB       LEU   4  -4.744  17.283  -3.215
   45   2HB   LEU   4          2HB       LEU   4  -3.242  16.375  -3.041
   46    HG   LEU   4           HG       LEU   4  -4.084  16.656  -5.431
   47   1HD1  LEU   4          1HD1      LEU   4  -2.622  14.712  -4.339
   48   2HD1  LEU   4          2HD1      LEU   4  -4.021  13.737  -4.786
   49   3HD1  LEU   4          3HD1      LEU   4  -3.138  14.630  -6.024
   50   1HD2  LEU   4          1HD2      LEU   4  -6.508  16.118  -4.560
   51   2HD2  LEU   4          2HD2      LEU   4  -6.011  15.538  -6.150
   52   3HD2  LEU   4          3HD2      LEU   4  -6.007  14.439  -4.769
   53    H    GLU   5           H        GLU   5  -2.501  14.969  -2.022
   54    HA   GLU   5           HA       GLU   5  -2.208  12.289  -2.962
   55   1HB   GLU   5          1HB       GLU   5   0.005  12.429  -2.146
   56   2HB   GLU   5          2HB       GLU   5  -0.400  14.104  -2.522
   57   1HG   GLU   5          1HG       GLU   5  -0.926  14.553  -0.190
   58   2HG   GLU   5          2HG       GLU   5  -0.682  12.858   0.228
   59    H    GLU   6           H        GLU   6  -3.127  13.715   0.097
   60    HA   GLU   6           HA       GLU   6  -2.757  11.491   1.815
   61   1HB   GLU   6          1HB       GLU   6  -4.330  13.978   1.824
   62   2HB   GLU   6          2HB       GLU   6  -5.069  12.671   2.748
   63   1HG   GLU   6          1HG       GLU   6  -2.410  12.481   3.472
   64   2HG   GLU   6          2HG       GLU   6  -2.644  14.224   3.321
   65    H    LEU   7           H        LEU   7  -5.896  12.511   0.420
   66    HA   LEU   7           HA       LEU   7  -7.239  10.076   0.911
   67   1HB   LEU   7          1HB       LEU   7  -7.643  12.416  -0.874
   68   2HB   LEU   7          2HB       LEU   7  -8.501  10.942  -1.321
   69    HG   LEU   7           HG       LEU   7  -9.520  12.719   0.413
   70   1HD1  LEU   7          1HD1      LEU   7 -10.622  10.680  -0.455
   71   2HD1  LEU   7          2HD1      LEU   7  -9.726   9.709   0.712
   72   3HD1  LEU   7          3HD1      LEU   7 -10.916  10.885   1.273
   73   1HD2  LEU   7          1HD2      LEU   7  -7.401  12.095   1.883
   74   2HD2  LEU   7          2HD2      LEU   7  -8.972  12.347   2.644
   75   3HD2  LEU   7          3HD2      LEU   7  -8.396  10.710   2.335
   76    H    GLU   8           H        GLU   8  -5.395  11.118  -1.959
   77    HA   GLU   8           HA       GLU   8  -5.875   9.030  -3.720
   78   1HB   GLU   8          1HB       GLU   8  -3.678  10.872  -3.231
   79   2HB   GLU   8          2HB       GLU   8  -3.076   9.303  -3.766
   80   1HG   GLU   8          1HG       GLU   8  -5.431  10.348  -5.234
   81   2HG   GLU   8          2HG       GLU   8  -3.921  11.225  -5.479
   82    H    ARG   9           H        ARG   9  -4.046   8.962  -0.730
   83    HA   ARG   9           HA       ARG   9  -2.955   6.319  -1.117
   84   1HB   ARG   9          1HB       ARG   9  -3.349   8.102   1.290
   85   2HB   ARG   9          2HB       ARG   9  -2.634   6.493   1.416
   86   1HG   ARG   9          1HG       ARG   9  -1.527   8.285  -0.688
   87   2HG   ARG   9          2HG       ARG   9  -1.150   8.701   0.984
   88   1HD   ARG   9          1HD       ARG   9   0.560   7.214   0.673
   89   2HD   ARG   9          2HD       ARG   9  -0.690   6.031   1.055
   90    HE   ARG   9           HE       ARG   9  -0.170   5.228  -1.103
   91   1HH1  ARG   9          1HH1      ARG   9   1.026   8.317  -1.202
   92   2HH1  ARG   9          2HH1      ARG   9   0.553   8.659  -2.833
   93   1HH2  ARG   9          1HH2      ARG   9  -1.395   5.808  -3.147
   94   2HH2  ARG   9          2HH2      ARG   9  -0.817   7.239  -3.933
   95    H    ASP  10           H        ASP  10  -5.737   7.656   0.647
   96    HA   ASP  10           HA       ASP  10  -6.740   5.353   1.862
   97   1HB   ASP  10          1HB       ASP  10  -7.671   7.878   1.596
   98   2HB   ASP  10          2HB       ASP  10  -8.749   7.046   0.475
   99    H    LEU  11           H        LEU  11  -6.914   6.293  -1.548
  100    HA   LEU  11           HA       LEU  11  -8.765   4.246  -2.328
  101   1HB   LEU  11          1HB       LEU  11  -8.339   4.923  -4.508
  102   2HB   LEU  11          2HB       LEU  11  -7.823   6.358  -3.627
  103    HG   LEU  11           HG       LEU  11  -5.493   5.157  -3.571
  104   1HD1  LEU  11          1HD1      LEU  11  -6.976   3.233  -4.939
  105   2HD1  LEU  11          2HD1      LEU  11  -6.071   4.053  -6.212
  106   3HD1  LEU  11          3HD1      LEU  11  -5.216   3.318  -4.855
  107   1HD2  LEU  11          1HD2      LEU  11  -6.648   7.109  -5.163
  108   2HD2  LEU  11          2HD2      LEU  11  -4.929   6.715  -5.116
  109   3HD2  LEU  11          3HD2      LEU  11  -5.968   5.988  -6.343
  110    H    ARG  12           H        ARG  12  -5.275   4.383  -1.953
  111    HA   ARG  12           HA       ARG  12  -4.793   1.748  -3.042
  112   1HB   ARG  12          1HB       ARG  12  -3.243   3.949  -1.888
  113   2HB   ARG  12          2HB       ARG  12  -2.638   2.361  -1.413
  114   1HG   ARG  12          1HG       ARG  12  -2.798   1.728  -3.892
  115   2HG   ARG  12          2HG       ARG  12  -3.009   3.452  -4.206
  116   1HD   ARG  12          1HD       ARG  12  -0.753   3.588  -4.222
  117   2HD   ARG  12          2HD       ARG  12  -0.836   3.374  -2.473
  118    HE   ARG  12           HE       ARG  12  -0.173   1.095  -2.756
  119   1HH1  ARG  12          1HH2      ARG  12   1.528   2.368  -4.931
  120   2HH1  ARG  12          2HH2      ARG  12   1.230   1.301  -6.262
  121   1HH2  ARG  12          1HH1      ARG  12  -1.574  -0.144  -4.820
  122   2HH2  ARG  12          2HH1      ARG  12  -0.527  -0.121  -6.199
  123    H    LYS  13           H        LYS  13  -5.710   3.049   0.047
  124    HA   LYS  13           HA       LYS  13  -4.787   1.060   1.814
  125   1HB   LYS  13          1HB       LYS  13  -6.423   3.267   2.028
  126   2HB   LYS  13          2HB       LYS  13  -7.541   1.939   2.344
  127   1HG   LYS  13          1HG       LYS  13  -6.713   1.811   4.431
  128   2HG   LYS  13          2HG       LYS  13  -5.171   1.306   3.741
  129   1HD   LYS  13          1HD       LYS  13  -4.774   3.847   3.348
  130   2HD   LYS  13          2HD       LYS  13  -6.063   4.071   4.531
  131   1HE   LYS  13          1HE       LYS  13  -4.410   2.123   5.666
  132   2HE   LYS  13          2HE       LYS  13  -3.293   3.291   4.958
  133   1HZ   LYS  13          1HZ       LYS  13  -5.142   4.879   6.092
  134   2HZ   LYS  13          2HZ       LYS  13  -5.094   3.586   7.190
  135   3HZ   LYS  13          3HZ       LYS  13  -3.671   4.437   6.819
  136    H    LEU  14           H        LEU  14  -7.493   0.981  -0.450
  137    HA   LEU  14           HA       LEU  14  -8.721  -1.386   0.590
  138   1HB   LEU  14          1HB       LEU  14  -9.134   0.374  -1.603
  139   2HB   LEU  14          2HB       LEU  14  -8.979  -1.251  -2.273
  140    HG   LEU  14           HG       LEU  14 -11.323  -0.782  -1.691
  141   1HD1  LEU  14          1HD1      LEU  14  -9.739  -2.859  -0.246
  142   2HD1  LEU  14          2HD1      LEU  14 -11.426  -2.651   0.222
  143   3HD1  LEU  14          3HD1      LEU  14 -11.019  -3.055  -1.444
  144   1HD2  LEU  14          1HD2      LEU  14 -10.062   0.348   0.654
  145   2HD2  LEU  14          2HD2      LEU  14 -11.731   0.512   0.110
  146   3HD2  LEU  14          3HD2      LEU  14 -11.266  -0.848   1.133
  147    H    LYS  15           H        LYS  15  -6.743  -1.035  -2.358
  148    HA   LYS  15           HA       LYS  15  -6.198  -3.665  -2.946
  149   1HB   LYS  15          1HB       LYS  15  -4.540  -1.170  -3.103
  150   2HB   LYS  15          2HB       LYS  15  -3.814  -2.719  -3.533
  151   1HG   LYS  15          1HG       LYS  15  -5.284  -3.058  -5.329
  152   2HG   LYS  15          2HG       LYS  15  -6.479  -1.929  -4.684
  153   1HD   LYS  15          1HD       LYS  15  -4.666  -0.118  -5.019
  154   2HD   LYS  15          2HD       LYS  15  -3.853  -1.306  -6.037
  155   1HE   LYS  15          1HE       LYS  15  -5.698  -1.416  -7.551
  156   2HE   LYS  15          2HE       LYS  15  -6.751  -0.539  -6.440
  157   1HZ   LYS  15          1HZ       LYS  15  -4.270   0.704  -7.427
  158   2HZ   LYS  15          2HZ       LYS  15  -5.669   0.719  -8.387
  159   3HZ   LYS  15          3HZ       LYS  15  -5.686   1.447  -6.852
  160    H    LYS  16           H        LYS  16  -5.029  -1.841  -0.200
  161    HA   LYS  16           HA       LYS  16  -2.821  -3.475   0.519
  162   1HB   LYS  16          1HB       LYS  16  -2.701  -2.110   2.324
  163   2HB   LYS  16          2HB       LYS  16  -4.031  -1.231   1.578
  164   1HG   LYS  16          1HG       LYS  16  -4.742  -1.667   3.802
  165   2HG   LYS  16          2HG       LYS  16  -5.591  -2.852   2.815
  166   1HD   LYS  16          1HD       LYS  16  -4.539  -4.583   3.819
  167   2HD   LYS  16          2HD       LYS  16  -2.963  -3.801   3.675
  168   1HE   LYS  16          1HE       LYS  16  -5.040  -3.078   5.762
  169   2HE   LYS  16          2HE       LYS  16  -3.673  -4.153   6.053
  170   1HZ   LYS  16          1HZ       LYS  16  -2.344  -2.152   5.070
  171   2HZ   LYS  16          2HZ       LYS  16  -3.699  -1.259   5.576
  172   3HZ   LYS  16          3HZ       LYS  16  -2.803  -2.161   6.704
  173    H    LYS  17           H        LYS  17  -6.256  -3.754   1.460
  174    HA   LYS  17           HA       LYS  17  -5.697  -6.315   2.778
  175   1HB   LYS  17          1HB       LYS  17  -7.765  -4.307   2.922
  176   2HB   LYS  17          2HB       LYS  17  -8.482  -5.897   2.647
  177   1HG   LYS  17          1HG       LYS  17  -6.488  -6.380   4.536
  178   2HG   LYS  17          2HG       LYS  17  -7.190  -4.844   5.043
  179   1HD   LYS  17          1HD       LYS  17  -9.393  -5.784   5.153
  180   2HD   LYS  17          2HD       LYS  17  -8.871  -7.259   4.338
  181   1HE   LYS  17          1HE       LYS  17  -7.237  -6.774   6.677
  182   2HE   LYS  17          2HE       LYS  17  -8.945  -6.796   7.117
  183   1HZ   LYS  17          1HZ       LYS  17  -8.938  -8.872   5.546
  184   2HZ   LYS  17          2HZ       LYS  17  -7.294  -8.920   5.958
  185   3HZ   LYS  17          3HZ       LYS  17  -8.476  -9.009   7.175
  186    H    ILE  18           H        ILE  18  -7.643  -5.134   0.024
  187    HA   ILE  18           HA       ILE  18  -8.695  -7.601  -0.809
  188    HB   ILE  18           HB       ILE  18  -9.656  -5.899  -1.991
  189   1HG1  ILE  18          1HG1      ILE  18  -7.242  -6.592  -3.671
  190   2HG1  ILE  18          2HG1      ILE  18  -8.863  -7.275  -3.791
  191   1HG2  ILE  18          1HG2      ILE  18  -6.999  -4.600  -1.623
  192   2HG2  ILE  18          2HG2      ILE  18  -8.060  -3.982  -2.888
  193   3HG2  ILE  18          3HG2      ILE  18  -8.607  -4.004  -1.212
  194   1HD1  ILE  18          1HD1      ILE  18  -9.412  -4.624  -4.100
  195   2HD1  ILE  18          2HD1      ILE  18  -7.807  -4.707  -4.827
  196   3HD1  ILE  18          3HD1      ILE  18  -9.111  -5.719  -5.451
  197    H    LYS  19           H        LYS  19  -5.725  -5.953  -1.948
  198    HA   LYS  19           HA       LYS  19  -4.837  -7.987  -3.686
  199   1HB   LYS  19          1HB       LYS  19  -2.775  -6.892  -3.696
  200   2HB   LYS  19          2HB       LYS  19  -3.850  -5.606  -3.148
  201   1HG   LYS  19          1HG       LYS  19  -2.146  -5.481  -1.563
  202   2HG   LYS  19          2HG       LYS  19  -3.290  -6.554  -0.755
  203   1HD   LYS  19          1HD       LYS  19  -1.706  -8.146  -0.661
  204   2HD   LYS  19          2HD       LYS  19  -1.651  -8.175  -2.424
  205   1HE   LYS  19          1HE       LYS  19  -0.247  -5.896  -1.158
  206   2HE   LYS  19          2HE       LYS  19   0.469  -7.481  -0.861
  207   1HZ   LYS  19          1HZ       LYS  19  -0.348  -7.100  -3.584
  208   2HZ   LYS  19          2HZ       LYS  19   0.828  -5.979  -3.088
  209   3HZ   LYS  19          3HZ       LYS  19   1.134  -7.647  -2.964
  210    H    LYS  20           H        LYS  20  -4.853  -7.846  -0.209
  211    HA   LYS  20           HA       LYS  20  -2.941  -9.998   0.163
  212   1HB   LYS  20          1HB       LYS  20  -4.364  -8.150   1.824
  213   2HB   LYS  20          2HB       LYS  20  -4.673  -9.784   2.414
  214   1HG   LYS  20          1HG       LYS  20  -1.983  -9.891   1.877
  215   2HG   LYS  20          2HG       LYS  20  -2.173  -8.227   2.431
  216   1HD   LYS  20          1HD       LYS  20  -1.808  -9.414   4.430
  217   2HD   LYS  20          2HD       LYS  20  -3.565  -9.265   4.367
  218   1HE   LYS  20          1HE       LYS  20  -2.642 -11.596   4.907
  219   2HE   LYS  20          2HE       LYS  20  -3.832 -11.506   3.609
  220   1HZ   LYS  20          1HZ       LYS  20  -0.971 -11.265   2.981
  221   2HZ   LYS  20          2HZ       LYS  20  -1.640 -12.802   3.251
  222   3HZ   LYS  20          3HZ       LYS  20  -2.241 -11.818   2.003
  223    H    LEU  21           H        LEU  21  -6.495  -9.738   0.260
  224    HA   LEU  21           HA       LEU  21  -6.976 -12.477   0.887
  225   1HB   LEU  21          1HB       LEU  21  -9.212 -11.973   0.589
  226   2HB   LEU  21          2HB       LEU  21  -8.562 -10.350   0.800
  227    HG   LEU  21           HG       LEU  21  -8.276 -10.389  -1.793
  228   1HD1  LEU  21          1HD1      LEU  21  -9.276 -12.967  -1.409
  229   2HD1  LEU  21          2HD1      LEU  21 -10.663 -12.054  -2.002
  230   3HD1  LEU  21          3HD1      LEU  21  -9.176 -12.111  -2.948
  231   1HD2  LEU  21          1HD2      LEU  21 -10.273  -9.488  -0.057
  232   2HD2  LEU  21          2HD2      LEU  21 -10.051  -8.995  -1.736
  233   3HD2  LEU  21          3HD2      LEU  21 -11.154 -10.312  -1.343
  234    H    GLU  22           H        GLU  22  -6.591 -10.785  -2.194
  235    HA   GLU  22           HA       GLU  22  -7.227 -13.100  -3.801
  236   1HB   GLU  22          1HB       GLU  22  -6.275 -10.339  -4.272
  237   2HB   GLU  22          2HB       GLU  22  -5.769 -11.527  -5.475
  238   1HG   GLU  22          1HG       GLU  22  -8.637 -11.241  -4.551
  239   2HG   GLU  22          2HG       GLU  22  -7.991 -10.392  -5.956
  240    H    GLU  23           H        GLU  23  -4.662 -12.541  -1.805
  241    HA   GLU  23           HA       GLU  23  -2.897 -14.252  -3.464
  242   1HB   GLU  23          1HB       GLU  23  -1.925 -12.024  -3.407
  243   2HB   GLU  23          2HB       GLU  23  -2.098 -11.963  -1.652
  244   1HG   GLU  23          1HG       GLU  23  -0.586 -14.264  -2.799
  245   2HG   GLU  23          2HG       GLU  23   0.204 -12.687  -2.812
  246    H    ASP  24           H        ASP  24  -3.536 -13.154  -0.126
  247    HA   ASP  24           HA       ASP  24  -2.131 -15.100   1.293
  248   1HB   ASP  24          1HB       ASP  24  -3.490 -13.192   2.261
  249   2HB   ASP  24          2HB       ASP  24  -4.927 -14.186   2.017
  250    H    ASN  25           H        ASN  25  -2.138 -17.174   0.379
  251    HA   ASN  25           HA       ASN  25  -4.765 -18.488  -0.049
  252   1HB   ASN  25          1HB       ASN  25  -1.958 -19.000  -0.947
  253   2HB   ASN  25          2HB       ASN  25  -3.057 -20.375  -0.826
  254   1HD2  ASN  25          2HD2      ASN  25  -5.112 -20.233  -2.118
  255   2HD2  ASN  25          1HD2      ASN  25  -5.148 -19.274  -3.516
  256    HA   PRO  26           HA       PRO  26  -4.289 -20.517   3.852
  257   1HB   PRO  26          1HB       PRO  26  -6.462 -22.177   3.562
  258   2HB   PRO  26          2HB       PRO  26  -6.589 -20.462   3.986
  259   1HG   PRO  26          1HG       PRO  26  -7.183 -21.801   1.389
  260   2HG   PRO  26          2HG       PRO  26  -7.844 -20.298   2.054
  261   1HD   PRO  26          1HD       PRO  26  -5.829 -20.494   0.071
  262   2HD   PRO  26          2HD       PRO  26  -6.275 -19.027   0.969
  263    H    TRP  27           H        TRP  27  -5.560 -22.881   1.494
  264    HA   TRP  27           HA       TRP  27  -3.049 -24.437   1.658
  265   1HB   TRP  27          1HB       TRP  27  -5.461 -25.093   3.141
  266   2HB   TRP  27          2HB       TRP  27  -5.052 -26.375   2.000
  267    HD1  TRP  27           HD1      TRP  27  -2.067 -26.594   2.018
  268    HE1  TRP  27           HE1      TRP  27  -0.708 -27.159   4.134
  269    HE3  TRP  27           HE3      TRP  27  -5.426 -25.231   5.614
  270    HZ2  TRP  27           HZ2      TRP  27  -1.006 -27.045   6.977
  271    HZ3  TRP  27           HZ3      TRP  27  -4.864 -25.470   8.016
  272    HH2  TRP  27           HH2      TRP  27  -2.660 -26.374   8.701
  Start of MODEL    9
    1   1H    ARG   1          1H        ARG   1  -2.025  21.859   1.215
    2   2H    ARG   1          2H        ARG   1  -3.376  22.842   0.901
    3   3H    ARG   1          3H        ARG   1  -2.778  22.705   2.482
    4    HA   ARG   1           HA       ARG   1  -3.859  20.809   2.885
    5   1HB   ARG   1          1HB       ARG   1  -5.217  22.268   0.739
    6   2HB   ARG   1          2HB       ARG   1  -5.645  20.557   0.775
    7   1HG   ARG   1          1HG       ARG   1  -5.771  21.074   3.412
    8   2HG   ARG   1          2HG       ARG   1  -6.159  22.681   2.797
    9   1HD   ARG   1          1HD       ARG   1  -7.755  21.264   1.188
   10   2HD   ARG   1          2HD       ARG   1  -7.689  20.132   2.538
   11    HE   ARG   1           HE       ARG   1  -8.297  22.911   3.281
   12   1HH1  ARG   1          1HH1      ARG   1  -9.036  20.143   4.551
   13   2HH1  ARG   1          2HH1      ARG   1 -10.755  20.183   4.349
   14   1HH2  ARG   1          1HH2      ARG   1 -10.696  22.811   2.089
   15   2HH2  ARG   1          2HH2      ARG   1 -11.695  21.693   2.956
   16    H    LYS   2           H        LYS   2  -2.732  18.918   2.726
   17    HA   LYS   2           HA       LYS   2  -1.865  17.920   0.095
   18   1HB   LYS   2          1HB       LYS   2  -0.470  17.768   2.227
   19   2HB   LYS   2          2HB       LYS   2  -1.600  16.525   2.765
   20   1HG   LYS   2          1HG       LYS   2  -0.259  15.071   1.662
   21   2HG   LYS   2          2HG       LYS   2  -0.999  15.713   0.196
   22   1HD   LYS   2          1HD       LYS   2   0.796  17.518   0.223
   23   2HD   LYS   2          2HD       LYS   2   1.597  16.580   1.484
   24   1HE   LYS   2          1HE       LYS   2   2.630  15.657  -0.358
   25   2HE   LYS   2          2HE       LYS   2   1.219  14.603  -0.276
   26   1HZ   LYS   2          1HZ       LYS   2   0.144  16.406  -1.747
   27   2HZ   LYS   2          2HZ       LYS   2   1.746  16.857  -2.095
   28   3HZ   LYS   2          3HZ       LYS   2   1.208  15.290  -2.459
   29    H    LYS   3           H        LYS   3  -4.629  18.021   0.147
   30    HA   LYS   3           HA       LYS   3  -5.690  15.459   0.975
   31   1HB   LYS   3          1HB       LYS   3  -7.783  16.319   0.409
   32   2HB   LYS   3          2HB       LYS   3  -6.888  17.792   0.781
   33   1HG   LYS   3          1HG       LYS   3  -6.287  17.401  -1.881
   34   2HG   LYS   3          2HG       LYS   3  -7.964  16.858  -1.790
   35   1HD   LYS   3          1HD       LYS   3  -7.448  19.331  -0.289
   36   2HD   LYS   3          2HD       LYS   3  -7.168  19.488  -2.023
   37   1HE   LYS   3          1HE       LYS   3  -9.505  18.071  -1.996
   38   2HE   LYS   3          2HE       LYS   3  -9.696  19.070  -0.555
   39   1HZ   LYS   3          1HZ       LYS   3  -8.985  20.985  -2.011
   40   2HZ   LYS   3          2HZ       LYS   3  -9.226  19.953  -3.339
   41   3HZ   LYS   3          3HZ       LYS   3 -10.525  20.340  -2.323
   42    H    LEU   4           H        LEU   4  -3.560  15.851  -1.172
   43    HA   LEU   4           HA       LEU   4  -4.850  14.600  -3.493
   44   1HB   LEU   4          1HB       LEU   4  -3.100  16.355  -3.818
   45   2HB   LEU   4          2HB       LEU   4  -1.930  15.279  -3.055
   46    HG   LEU   4           HG       LEU   4  -2.018  15.252  -5.624
   47   1HD1  LEU   4          1HD1      LEU   4  -1.242  13.391  -3.865
   48   2HD1  LEU   4          2HD1      LEU   4  -2.579  12.505  -4.598
   49   3HD1  LEU   4          3HD1      LEU   4  -1.247  13.078  -5.600
   50   1HD2  LEU   4          1HD2      LEU   4  -4.651  15.121  -5.406
   51   2HD2  LEU   4          2HD2      LEU   4  -3.829  14.263  -6.710
   52   3HD2  LEU   4          3HD2      LEU   4  -4.347  13.390  -5.268
   53    H    GLU   5           H        GLU   5  -1.816  13.844  -1.777
   54    HA   GLU   5           HA       GLU   5  -1.981  11.047  -2.376
   55   1HB   GLU   5          1HB       GLU   5   0.001  10.845  -1.132
   56   2HB   GLU   5          2HB       GLU   5   0.071  12.517  -1.686
   57   1HG   GLU   5          1HG       GLU   5   0.470  12.882   0.551
   58   2HG   GLU   5          2HG       GLU   5  -1.293  12.910   0.588
   59    H    GLU   6           H        GLU   6  -3.175  13.068   0.212
   60    HA   GLU   6           HA       GLU   6  -3.641  11.206   2.256
   61   1HB   GLU   6          1HB       GLU   6  -4.612  13.813   1.531
   62   2HB   GLU   6          2HB       GLU   6  -5.978  12.819   2.041
   63   1HG   GLU   6          1HG       GLU   6  -3.959  12.208   3.874
   64   2HG   GLU   6          2HG       GLU   6  -3.828  13.952   3.644
   65    H    LEU   7           H        LEU   7  -6.105  12.145  -0.178
   66    HA   LEU   7           HA       LEU   7  -7.772   9.896   0.369
   67   1HB   LEU   7          1HB       LEU   7  -7.586  11.923  -1.829
   68   2HB   LEU   7          2HB       LEU   7  -8.642  10.523  -2.032
   69    HG   LEU   7           HG       LEU   7  -9.642  12.658  -0.945
   70   1HD1  LEU   7          1HD1      LEU   7 -10.061   9.860  -0.553
   71   2HD1  LEU   7          2HD1      LEU   7 -10.331  10.665   0.992
   72   3HD1  LEU   7          3HD1      LEU   7 -11.246  11.161  -0.431
   73   1HD2  LEU   7          1HD2      LEU   7  -7.763  13.022   0.627
   74   2HD2  LEU   7          2HD2      LEU   7  -9.283  12.797   1.491
   75   3HD2  LEU   7          3HD2      LEU   7  -8.118  11.475   1.399
   76    H    GLU   8           H        GLU   8  -5.557  10.507  -2.398
   77    HA   GLU   8           HA       GLU   8  -5.845   8.112  -3.765
   78   1HB   GLU   8          1HB       GLU   8  -3.873   8.641  -4.808
   79   2HB   GLU   8          2HB       GLU   8  -4.042  10.153  -3.918
   80   1HG   GLU   8          1HG       GLU   8  -1.865   9.499  -3.358
   81   2HG   GLU   8          2HG       GLU   8  -2.799   8.862  -2.005
   82    H    ARG   9           H        ARG   9  -4.373   8.659  -0.651
   83    HA   ARG   9           HA       ARG   9  -3.241   5.992  -0.430
   84   1HB   ARG   9          1HB       ARG   9  -3.488   8.400   1.287
   85   2HB   ARG   9          2HB       ARG   9  -3.409   6.854   2.135
   86   1HG   ARG   9          1HG       ARG   9  -1.457   7.387  -0.080
   87   2HG   ARG   9          2HG       ARG   9  -1.182   8.136   1.494
   88   1HD   ARG   9          1HD       ARG   9  -1.573   5.757   2.456
   89   2HD   ARG   9          2HD       ARG   9  -1.304   5.202   0.804
   90    HE   ARG   9           HE       ARG   9   0.824   6.958   1.500
   91   1HH1  ARG   9          1HH1      ARG   9   0.240   3.783   0.901
   92   2HH1  ARG   9          2HH1      ARG   9   1.417   3.140   1.996
   93   1HH2  ARG   9          1HH2      ARG   9   2.034   6.182   3.539
   94   2HH2  ARG   9          2HH2      ARG   9   2.432   4.498   3.491
   95    H    ASP  10           H        ASP  10  -6.134   7.692   0.722
   96    HA   ASP  10           HA       ASP  10  -7.240   5.637   2.318
   97   1HB   ASP  10          1HB       ASP  10  -8.052   8.078   1.912
   98   2HB   ASP  10          2HB       ASP  10  -8.947   7.389   0.558
   99    H    LEU  11           H        LEU  11  -7.637   6.256  -1.184
  100    HA   LEU  11           HA       LEU  11  -9.359   4.019  -1.640
  101   1HB   LEU  11          1HB       LEU  11  -9.134   4.519  -3.908
  102   2HB   LEU  11          2HB       LEU  11  -8.715   6.069  -3.179
  103    HG   LEU  11           HG       LEU  11  -6.274   5.115  -3.189
  104   1HD1  LEU  11          1HD1      LEU  11  -7.664   2.958  -4.333
  105   2HD1  LEU  11          2HD1      LEU  11  -6.828   3.731  -5.679
  106   3HD1  LEU  11          3HD1      LEU  11  -5.915   3.173  -4.277
  107   1HD2  LEU  11          1HD2      LEU  11  -7.594   6.882  -4.747
  108   2HD2  LEU  11          2HD2      LEU  11  -5.910   6.441  -5.030
  109   3HD2  LEU  11          3HD2      LEU  11  -7.192   5.671  -5.965
  110    H    ARG  12           H        ARG  12  -5.876   4.439  -1.550
  111    HA   ARG  12           HA       ARG  12  -5.253   1.776  -2.482
  112   1HB   ARG  12          1HB       ARG  12  -3.820   4.162  -1.613
  113   2HB   ARG  12          2HB       ARG  12  -3.084   2.688  -0.984
  114   1HG   ARG  12          1HG       ARG  12  -3.594   1.934  -3.550
  115   2HG   ARG  12          2HG       ARG  12  -3.284   3.655  -3.772
  116   1HD   ARG  12          1HD       ARG  12  -1.085   3.486  -3.122
  117   2HD   ARG  12          2HD       ARG  12  -1.412   2.169  -1.997
  118    HE   ARG  12           HE       ARG  12  -0.550   0.862  -3.768
  119   1HH1  ARG  12          1HH1      ARG  12  -1.752   3.652  -5.217
  120   2HH1  ARG  12          2HH1      ARG  12  -2.250   2.882  -6.687
  121   1HH2  ARG  12          1HH2      ARG  12  -1.630  -0.326  -5.527
  122   2HH2  ARG  12          2HH2      ARG  12  -2.177   0.630  -6.862
  123    H    LYS  13           H        LYS  13  -6.260   3.158   0.501
  124    HA   LYS  13           HA       LYS  13  -5.059   1.381   2.365
  125   1HB   LYS  13          1HB       LYS  13  -6.720   3.515   2.594
  126   2HB   LYS  13          2HB       LYS  13  -7.862   2.204   2.887
  127   1HG   LYS  13          1HG       LYS  13  -6.705   1.440   4.777
  128   2HG   LYS  13          2HG       LYS  13  -5.199   2.217   4.285
  129   1HD   LYS  13          1HD       LYS  13  -5.728   4.064   5.450
  130   2HD   LYS  13          2HD       LYS  13  -7.248   4.217   4.569
  131   1HE   LYS  13          1HE       LYS  13  -8.012   2.257   6.169
  132   2HE   LYS  13          2HE       LYS  13  -6.703   2.859   7.185
  133   1HZ   LYS  13          1HZ       LYS  13  -8.292   4.981   6.143
  134   2HZ   LYS  13          2HZ       LYS  13  -9.239   3.880   7.019
  135   3HZ   LYS  13          3HZ       LYS  13  -7.899   4.619   7.756
  136    H    LEU  14           H        LEU  14  -7.966   1.078   0.362
  137    HA   LEU  14           HA       LEU  14  -8.796  -1.422   1.545
  138   1HB   LEU  14          1HB       LEU  14  -9.570   0.200  -0.842
  139   2HB   LEU  14          2HB       LEU  14 -10.009  -1.508  -0.837
  140    HG   LEU  14           HG       LEU  14 -10.705  -0.743   1.709
  141   1HD1  LEU  14          1HD1      LEU  14 -10.226   1.633   1.102
  142   2HD1  LEU  14          2HD1      LEU  14 -11.446   1.524  -0.167
  143   3HD1  LEU  14          3HD1      LEU  14 -11.917   1.369   1.526
  144   1HD2  LEU  14          1HD2      LEU  14 -11.929  -1.771  -0.550
  145   2HD2  LEU  14          2HD2      LEU  14 -12.724  -1.504   1.003
  146   3HD2  LEU  14          3HD2      LEU  14 -12.833  -0.283  -0.264
  147    H    LYS  15           H        LYS  15  -7.673  -0.793  -1.779
  148    HA   LYS  15           HA       LYS  15  -7.031  -3.329  -2.613
  149   1HB   LYS  15          1HB       LYS  15  -6.194  -0.672  -3.312
  150   2HB   LYS  15          2HB       LYS  15  -4.794  -1.746  -3.360
  151   1HG   LYS  15          1HG       LYS  15  -5.865  -1.796  -5.536
  152   2HG   LYS  15          2HG       LYS  15  -6.151  -3.345  -4.742
  153   1HD   LYS  15          1HD       LYS  15  -8.348  -2.287  -3.886
  154   2HD   LYS  15          2HD       LYS  15  -8.075  -1.051  -5.116
  155   1HE   LYS  15          1HE       LYS  15  -8.117  -2.679  -6.882
  156   2HE   LYS  15          2HE       LYS  15  -8.081  -4.015  -5.731
  157   1HZ   LYS  15          1HZ       LYS  15 -10.237  -2.726  -4.890
  158   2HZ   LYS  15          2HZ       LYS  15 -10.299  -2.316  -6.538
  159   3HZ   LYS  15          3HZ       LYS  15 -10.293  -3.947  -6.066
  160    H    LYS  16           H        LYS  16  -5.400  -1.485  -0.142
  161    HA   LYS  16           HA       LYS  16  -2.937  -2.891  -0.041
  162   1HB   LYS  16          1HB       LYS  16  -4.517  -1.208   1.805
  163   2HB   LYS  16          2HB       LYS  16  -3.429  -2.350   2.594
  164   1HG   LYS  16          1HG       LYS  16  -1.521  -1.466   1.474
  165   2HG   LYS  16          2HG       LYS  16  -2.519  -0.562   0.334
  166   1HD   LYS  16          1HD       LYS  16  -3.426   0.436   2.704
  167   2HD   LYS  16          2HD       LYS  16  -1.737   0.119   3.102
  168   1HE   LYS  16          1HE       LYS  16  -1.193   1.309   0.871
  169   2HE   LYS  16          2HE       LYS  16  -2.849   1.909   0.945
  170   1HZ   LYS  16          1HZ       LYS  16  -2.324   2.720   3.220
  171   2HZ   LYS  16          2HZ       LYS  16  -0.699   2.320   2.946
  172   3HZ   LYS  16          3HZ       LYS  16  -1.457   3.500   1.986
  173    H    LYS  17           H        LYS  17  -5.956  -3.508   1.771
  174    HA   LYS  17           HA       LYS  17  -4.930  -6.086   2.689
  175   1HB   LYS  17          1HB       LYS  17  -7.017  -4.270   3.472
  176   2HB   LYS  17          2HB       LYS  17  -7.703  -5.877   3.229
  177   1HG   LYS  17          1HG       LYS  17  -6.663  -6.712   5.056
  178   2HG   LYS  17          2HG       LYS  17  -5.132  -5.945   4.632
  179   1HD   LYS  17          1HD       LYS  17  -5.986  -3.786   5.499
  180   2HD   LYS  17          2HD       LYS  17  -7.491  -4.582   5.963
  181   1HE   LYS  17          1HE       LYS  17  -6.453  -5.852   7.643
  182   2HE   LYS  17          2HE       LYS  17  -4.849  -5.648   6.935
  183   1HZ   LYS  17          1HZ       LYS  17  -6.004  -3.136   7.566
  184   2HZ   LYS  17          2HZ       LYS  17  -5.985  -4.134   8.938
  185   3HZ   LYS  17          3HZ       LYS  17  -4.540  -3.809   8.105
  186    H    ILE  18           H        ILE  18  -7.577  -4.958   0.563
  187    HA   ILE  18           HA       ILE  18  -8.553  -7.500  -0.167
  188    HB   ILE  18           HB       ILE  18  -9.983  -5.848  -0.860
  189   1HG1  ILE  18          1HG1      ILE  18  -8.122  -6.188  -3.218
  190   2HG1  ILE  18          2HG1      ILE  18  -9.608  -7.081  -2.893
  191   1HG2  ILE  18          1HG2      ILE  18  -7.474  -4.281  -1.157
  192   2HG2  ILE  18          2HG2      ILE  18  -8.874  -3.749  -2.084
  193   3HG2  ILE  18          3HG2      ILE  18  -8.969  -3.857  -0.328
  194   1HD1  ILE  18          1HD1      ILE  18 -10.341  -4.365  -2.832
  195   2HD1  ILE  18          2HD1      ILE  18  -9.268  -4.525  -4.223
  196   3HD1  ILE  18          3HD1      ILE  18 -10.715  -5.529  -4.104
  197    H    LYS  19           H        LYS  19  -6.235  -5.398  -1.916
  198    HA   LYS  19           HA       LYS  19  -5.612  -7.238  -3.973
  199   1HB   LYS  19          1HB       LYS  19  -4.881  -4.773  -3.721
  200   2HB   LYS  19          2HB       LYS  19  -3.553  -5.403  -2.743
  201   1HG   LYS  19          1HG       LYS  19  -2.647  -6.628  -4.549
  202   2HG   LYS  19          2HG       LYS  19  -4.141  -6.524  -5.480
  203   1HD   LYS  19          1HD       LYS  19  -3.047  -4.828  -6.548
  204   2HD   LYS  19          2HD       LYS  19  -3.589  -3.884  -5.161
  205   1HE   LYS  19          1HE       LYS  19  -1.352  -3.407  -5.002
  206   2HE   LYS  19          2HE       LYS  19  -1.338  -4.930  -4.113
  207   1HZ   LYS  19          1HZ       LYS  19  -1.148  -5.221  -6.977
  208   2HZ   LYS  19          2HZ       LYS  19   0.165  -4.405  -6.282
  209   3HZ   LYS  19          3HZ       LYS  19  -0.244  -5.964  -5.745
  210    H    LYS  20           H        LYS  20  -4.731  -7.217  -0.622
  211    HA   LYS  20           HA       LYS  20  -2.406  -8.902  -0.832
  212   1HB   LYS  20          1HB       LYS  20  -3.715  -7.511   1.212
  213   2HB   LYS  20          2HB       LYS  20  -3.870  -9.210   1.661
  214   1HG   LYS  20          1HG       LYS  20  -1.444  -9.516   1.399
  215   2HG   LYS  20          2HG       LYS  20  -1.276  -7.828   0.916
  216   1HD   LYS  20          1HD       LYS  20  -0.746  -7.788   3.212
  217   2HD   LYS  20          2HD       LYS  20  -2.439  -7.291   3.175
  218   1HE   LYS  20          1HE       LYS  20  -2.241  -8.957   4.898
  219   2HE   LYS  20          2HE       LYS  20  -3.053  -9.725   3.533
  220   1HZ   LYS  20          1HZ       LYS  20  -0.549 -10.242   2.901
  221   2HZ   LYS  20          2HZ       LYS  20  -0.370 -10.160   4.586
  222   3HZ   LYS  20          3HZ       LYS  20  -1.463 -11.267   3.901
  223    H    LEU  21           H        LEU  21  -5.798  -9.592   0.080
  224    HA   LEU  21           HA       LEU  21  -5.495 -12.396   0.321
  225   1HB   LEU  21          1HB       LEU  21  -7.825 -12.487   0.427
  226   2HB   LEU  21          2HB       LEU  21  -7.505 -10.821   0.900
  227    HG   LEU  21           HG       LEU  21  -7.762 -10.274  -1.620
  228   1HD1  LEU  21          1HD1      LEU  21  -8.237 -13.117  -1.599
  229   2HD1  LEU  21          2HD1      LEU  21  -9.696 -12.282  -2.131
  230   3HD1  LEU  21          3HD1      LEU  21  -8.172 -12.024  -2.981
  231   1HD2  LEU  21          1HD2      LEU  21  -9.667 -10.625   0.526
  232   2HD2  LEU  21          2HD2      LEU  21  -9.630  -9.386  -0.729
  233   3HD2  LEU  21          3HD2      LEU  21 -10.444 -10.921  -1.029
  234    H    GLU  22           H        GLU  22  -6.241 -10.394  -2.508
  235    HA   GLU  22           HA       GLU  22  -6.846 -12.420  -4.362
  236   1HB   GLU  22          1HB       GLU  22  -6.342 -10.854  -6.070
  237   2HB   GLU  22          2HB       GLU  22  -6.842  -9.862  -4.700
  238   1HG   GLU  22          1HG       GLU  22  -4.875  -8.780  -4.855
  239   2HG   GLU  22          2HG       GLU  22  -4.077 -10.270  -4.357
  240    H    GLU  23           H        GLU  23  -3.793 -11.587  -2.910
  241    HA   GLU  23           HA       GLU  23  -2.412 -13.461  -4.743
  242   1HB   GLU  23          1HB       GLU  23  -1.547 -11.061  -4.376
  243   2HB   GLU  23          2HB       GLU  23  -1.062 -11.618  -2.776
  244   1HG   GLU  23          1HG       GLU  23   0.863 -12.214  -3.842
  245   2HG   GLU  23          2HG       GLU  23  -0.075 -13.630  -4.320
  246    H    ASP  24           H        ASP  24  -3.307 -12.872  -1.420
  247    HA   ASP  24           HA       ASP  24  -2.944 -14.141   0.532
  248   1HB   ASP  24          1HB       ASP  24  -4.203 -15.667  -1.382
  249   2HB   ASP  24          2HB       ASP  24  -2.829 -16.684  -0.945
  250    H    ASN  25           H        ASN  25  -0.533 -13.160  -0.523
  251    HA   ASN  25           HA       ASN  25   1.303 -15.437   0.093
  252   1HB   ASN  25          1HB       ASN  25   1.464 -14.948  -2.294
  253   2HB   ASN  25          2HB       ASN  25   1.702 -13.233  -1.951
  254   1HD2  ASN  25          2HD2      ASN  25   3.283 -16.364  -2.039
  255   2HD2  ASN  25          1HD2      ASN  25   4.837 -15.803  -1.648
  256    HA   PRO  26           HA       PRO  26   2.841 -12.648   3.145
  257   1HB   PRO  26          1HB       PRO  26   5.098 -14.086   3.767
  258   2HB   PRO  26          2HB       PRO  26   3.478 -14.536   4.308
  259   1HG   PRO  26          1HG       PRO  26   5.149 -15.776   2.177
  260   2HG   PRO  26          2HG       PRO  26   3.885 -16.510   3.179
  261   1HD   PRO  26          1HD       PRO  26   3.587 -15.671   0.497
  262   2HD   PRO  26          2HD       PRO  26   2.266 -16.078   1.614
  263    H    TRP  27           H        TRP  27   5.420 -14.096   1.164
  264    HA   TRP  27           HA       TRP  27   6.263 -11.439   0.207
  265   1HB   TRP  27          1HB       TRP  27   7.451 -12.509   2.523
  266   2HB   TRP  27          2HB       TRP  27   8.605 -12.816   1.226
  267    HD1  TRP  27           HD1      TRP  27   8.742 -10.471  -0.517
  268    HE1  TRP  27           HE1      TRP  27   9.234  -8.072   0.287
  269    HE3  TRP  27           HE3      TRP  27   7.458 -10.908   4.409
  270    HZ2  TRP  27           HZ2      TRP  27   9.099  -6.540   2.699
  271    HZ3  TRP  27           HZ3      TRP  27   7.650  -8.964   5.935
  272    HH2  TRP  27           HH2      TRP  27   8.468  -6.784   5.087
  Start of MODEL   10
    1   1H    ARG   1          1H        ARG   1  -3.131  22.491   0.016
    2   2H    ARG   1          2H        ARG   1  -4.689  22.902   0.556
    3   3H    ARG   1          3H        ARG   1  -3.350  23.152   1.566
    4    HA   ARG   1           HA       ARG   1  -3.372  21.076   2.325
    5   1HB   ARG   1          1HB       ARG   1  -6.008  21.362   0.908
    6   2HB   ARG   1          2HB       ARG   1  -5.594  19.830   1.678
    7   1HG   ARG   1          1HG       ARG   1  -5.174  21.023   3.807
    8   2HG   ARG   1          2HG       ARG   1  -5.628  22.543   3.034
    9   1HD   ARG   1          1HD       ARG   1  -7.450  20.130   3.221
   10   2HD   ARG   1          2HD       ARG   1  -7.496  21.491   4.340
   11    HE   ARG   1           HE       ARG   1  -7.701  22.559   1.730
   12   1HH1  ARG   1          1HH1      ARG   1  -9.686  23.015   3.954
   13   2HH1  ARG   1          2HH1      ARG   1 -11.122  22.304   3.295
   14   1HH2  ARG   1          1HH2      ARG   1  -9.436  20.533   0.836
   15   2HH2  ARG   1          2HH2      ARG   1 -10.979  20.898   1.530
   16    H    LYS   2           H        LYS   2  -2.221  19.297   1.756
   17    HA   LYS   2           HA       LYS   2  -1.848  18.675  -1.086
   18   1HB   LYS   2          1HB       LYS   2  -0.661  17.673   1.493
   19   2HB   LYS   2          2HB       LYS   2  -0.410  16.777  -0.006
   20   1HG   LYS   2          1HG       LYS   2   0.436  18.887  -1.061
   21   2HG   LYS   2          2HG       LYS   2   0.317  19.672   0.515
   22   1HD   LYS   2          1HD       LYS   2   1.910  17.140   0.065
   23   2HD   LYS   2          2HD       LYS   2   2.617  18.751  -0.066
   24   1HE   LYS   2          1HE       LYS   2   1.785  19.220   2.265
   25   2HE   LYS   2          2HE       LYS   2   1.310  17.527   2.378
   26   1HZ   LYS   2          1HZ       LYS   2   4.050  18.231   1.569
   27   2HZ   LYS   2          2HZ       LYS   2   3.627  18.253   3.213
   28   3HZ   LYS   2          3HZ       LYS   2   3.484  16.819   2.322
   29    H    LYS   3           H        LYS   3  -4.492  18.245  -0.583
   30    HA   LYS   3           HA       LYS   3  -4.910  15.465   0.161
   31   1HB   LYS   3          1HB       LYS   3  -6.535  17.775   0.040
   32   2HB   LYS   3          2HB       LYS   3  -7.207  16.630  -1.122
   33   1HG   LYS   3          1HG       LYS   3  -8.263  15.830   0.752
   34   2HG   LYS   3          2HG       LYS   3  -6.750  14.940   0.925
   35   1HD   LYS   3          1HD       LYS   3  -5.944  16.361   2.589
   36   2HD   LYS   3          2HD       LYS   3  -6.974  17.700   2.084
   37   1HE   LYS   3          1HE       LYS   3  -8.941  16.605   2.970
   38   2HE   LYS   3          2HE       LYS   3  -8.026  15.135   3.307
   39   1HZ   LYS   3          1HZ       LYS   3  -6.578  16.929   4.625
   40   2HZ   LYS   3          2HZ       LYS   3  -8.109  17.645   4.766
   41   3HZ   LYS   3          3HZ       LYS   3  -7.857  16.064   5.333
   42    H    LEU   4           H        LEU   4  -3.465  16.553  -2.339
   43    HA   LEU   4           HA       LEU   4  -4.974  15.175  -4.450
   44   1HB   LEU   4          1HB       LEU   4  -3.589  17.395  -4.703
   45   2HB   LEU   4          2HB       LEU   4  -2.218  16.293  -4.844
   46    HG   LEU   4           HG       LEU   4  -3.055  16.710  -7.076
   47   1HD1  LEU   4          1HD1      LEU   4  -2.405  14.360  -6.455
   48   2HD1  LEU   4          2HD1      LEU   4  -4.109  14.021  -6.151
   49   3HD1  LEU   4          3HD1      LEU   4  -3.572  14.440  -7.776
   50   1HD2  LEU   4          1HD2      LEU   4  -5.596  16.681  -5.689
   51   2HD2  LEU   4          2HD2      LEU   4  -5.230  17.267  -7.312
   52   3HD2  LEU   4          3HD2      LEU   4  -5.639  15.570  -7.058
   53    H    GLU   5           H        GLU   5  -1.580  15.082  -3.335
   54    HA   GLU   5           HA       GLU   5  -1.120  12.442  -4.349
   55   1HB   GLU   5          1HB       GLU   5   0.319  14.038  -2.209
   56   2HB   GLU   5          2HB       GLU   5   0.945  12.576  -2.971
   57   1HG   GLU   5          1HG       GLU   5   0.073  14.884  -4.680
   58   2HG   GLU   5          2HG       GLU   5   1.657  14.923  -3.906
   59    H    GLU   6           H        GLU   6  -2.338  13.778  -1.360
   60    HA   GLU   6           HA       GLU   6  -2.052  11.542   0.356
   61   1HB   GLU   6          1HB       GLU   6  -3.529  14.036   0.323
   62   2HB   GLU   6          2HB       GLU   6  -4.529  12.736   0.970
   63   1HG   GLU   6          1HG       GLU   6  -2.310  12.146   2.302
   64   2HG   GLU   6          2HG       GLU   6  -1.960  13.853   2.022
   65    H    LEU   7           H        LEU   7  -4.998  12.491  -1.467
   66    HA   LEU   7           HA       LEU   7  -6.291   9.982  -1.041
   67   1HB   LEU   7          1HB       LEU   7  -6.914  12.447  -2.305
   68   2HB   LEU   7          2HB       LEU   7  -7.180  11.172  -3.496
   69    HG   LEU   7           HG       LEU   7  -8.443  11.502  -0.783
   70   1HD1  LEU   7          1HD1      LEU   7  -9.290  12.210  -3.253
   71   2HD1  LEU   7          2HD1      LEU   7  -9.898  10.557  -3.192
   72   3HD1  LEU   7          3HD1      LEU   7 -10.392  11.723  -1.965
   73   1HD2  LEU   7          1HD2      LEU   7  -7.730   9.003  -2.204
   74   2HD2  LEU   7          2HD2      LEU   7  -8.109   9.257  -0.501
   75   3HD2  LEU   7          3HD2      LEU   7  -9.411   9.105  -1.680
   76    H    GLU   8           H        GLU   8  -4.479  11.250  -3.862
   77    HA   GLU   8           HA       GLU   8  -4.736   9.187  -5.671
   78   1HB   GLU   8          1HB       GLU   8  -2.440  10.931  -4.894
   79   2HB   GLU   8          2HB       GLU   8  -2.074   9.527  -5.898
   80   1HG   GLU   8          1HG       GLU   8  -4.364  11.338  -6.621
   81   2HG   GLU   8          2HG       GLU   8  -2.715  11.778  -7.065
   82    H    ARG   9           H        ARG   9  -3.117   9.123  -2.584
   83    HA   ARG   9           HA       ARG   9  -1.885   6.526  -2.985
   84   1HB   ARG   9          1HB       ARG   9  -2.262   8.400  -0.669
   85   2HB   ARG   9          2HB       ARG   9  -1.741   6.740  -0.374
   86   1HG   ARG   9          1HG       ARG   9  -0.161   7.622  -2.520
   87   2HG   ARG   9          2HG       ARG   9  -0.206   8.983  -1.398
   88   1HD   ARG   9          1HD       ARG   9   0.115   6.676   0.197
   89   2HD   ARG   9          2HD       ARG   9   1.228   6.490  -1.159
   90    HE   ARG   9           HE       ARG   9   1.384   9.155  -0.052
   91   1HH1  ARG   9          1HH2      ARG   9   1.627   7.429   2.384
   92   2HH1  ARG   9          2HH2      ARG   9   3.330   7.113   2.436
   93   1HH2  ARG   9          1HH1      ARG   9   3.878   8.080  -0.849
   94   2HH2  ARG   9          2HH1      ARG   9   4.603   7.479   0.606
   95    H    ASP  10           H        ASP  10  -4.761   7.798  -1.334
   96    HA   ASP  10           HA       ASP  10  -5.654   5.382  -0.160
   97   1HB   ASP  10          1HB       ASP  10  -6.623   7.993  -0.401
   98   2HB   ASP  10          2HB       ASP  10  -7.849   6.998  -1.186
   99    H    LEU  11           H        LEU  11  -5.698   6.431  -3.495
  100    HA   LEU  11           HA       LEU  11  -7.734   4.559  -4.344
  101   1HB   LEU  11          1HB       LEU  11  -7.364   5.394  -6.480
  102   2HB   LEU  11          2HB       LEU  11  -6.779   6.742  -5.507
  103    HG   LEU  11           HG       LEU  11  -4.481   5.500  -5.628
  104   1HD1  LEU  11          1HD1      LEU  11  -6.185   3.938  -7.421
  105   2HD1  LEU  11          2HD1      LEU  11  -4.730   4.533  -8.219
  106   3HD1  LEU  11          3HD1      LEU  11  -4.596   3.547  -6.764
  107   1HD2  LEU  11          1HD2      LEU  11  -5.124   7.689  -6.713
  108   2HD2  LEU  11          2HD2      LEU  11  -3.912   6.770  -7.605
  109   3HD2  LEU  11          3HD2      LEU  11  -5.592   6.772  -8.144
  110    H    ARG  12           H        ARG  12  -4.229   4.561  -4.079
  111    HA   ARG  12           HA       ARG  12  -3.989   1.917  -5.304
  112   1HB   ARG  12          1HB       ARG  12  -2.156   4.039  -4.332
  113   2HB   ARG  12          2HB       ARG  12  -1.553   2.386  -4.214
  114   1HG   ARG  12          1HG       ARG  12  -2.170   2.058  -6.630
  115   2HG   ARG  12          2HG       ARG  12  -2.570   3.773  -6.708
  116   1HD   ARG  12          1HD       ARG  12  -0.241   3.241  -7.495
  117   2HD   ARG  12          2HD       ARG  12  -0.296   4.395  -6.163
  118    HE   ARG  12           HE       ARG  12   0.166   1.506  -5.586
  119   1HH1  ARG  12          1HH2      ARG  12   2.345   3.579  -6.615
  120   2HH1  ARG  12          2HH2      ARG  12   3.156   3.880  -5.114
  121   1HH2  ARG  12          1HH1      ARG  12   0.673   2.423  -3.180
  122   2HH2  ARG  12          2HH1      ARG  12   2.208   3.226  -3.169
  123    H    LYS  13           H        LYS  13  -4.553   3.255  -2.205
  124    HA   LYS  13           HA       LYS  13  -3.360   1.242  -0.560
  125   1HB   LYS  13          1HB       LYS  13  -5.149   3.508  -0.218
  126   2HB   LYS  13          2HB       LYS  13  -5.661   2.140   0.771
  127   1HG   LYS  13          1HG       LYS  13  -3.242   1.949   1.542
  128   2HG   LYS  13          2HG       LYS  13  -2.961   3.507   0.763
  129   1HD   LYS  13          1HD       LYS  13  -4.326   4.656   2.263
  130   2HD   LYS  13          2HD       LYS  13  -5.260   3.218   2.672
  131   1HE   LYS  13          1HE       LYS  13  -2.422   2.938   3.332
  132   2HE   LYS  13          2HE       LYS  13  -3.187   4.278   4.182
  133   1HZ   LYS  13          1HZ       LYS  13  -5.054   2.441   4.478
  134   2HZ   LYS  13          2HZ       LYS  13  -3.703   1.417   4.374
  135   3HZ   LYS  13          3HZ       LYS  13  -3.771   2.617   5.574
  136    H    LEU  14           H        LEU  14  -6.109   1.232  -2.618
  137    HA   LEU  14           HA       LEU  14  -7.558  -0.858  -1.234
  138   1HB   LEU  14          1HB       LEU  14  -7.978   0.835  -3.512
  139   2HB   LEU  14          2HB       LEU  14  -8.218  -0.843  -4.004
  140    HG   LEU  14           HG       LEU  14  -9.467   0.315  -1.505
  141   1HD1  LEU  14          1HD1      LEU  14 -10.288   0.497  -4.361
  142   2HD1  LEU  14          2HD1      LEU  14 -11.550   0.092  -3.198
  143   3HD1  LEU  14          3HD1      LEU  14 -10.635   1.589  -3.020
  144   1HD2  LEU  14          1HD2      LEU  14  -9.644  -2.237  -3.068
  145   2HD2  LEU  14          2HD2      LEU  14  -9.601  -1.997  -1.321
  146   3HD2  LEU  14          3HD2      LEU  14 -11.081  -1.668  -2.221
  147    H    LYS  15           H        LYS  15  -6.095  -0.933  -4.486
  148    HA   LYS  15           HA       LYS  15  -5.907  -3.664  -4.856
  149   1HB   LYS  15          1HB       LYS  15  -4.817  -1.436  -6.106
  150   2HB   LYS  15          2HB       LYS  15  -3.397  -2.353  -5.598
  151   1HG   LYS  15          1HG       LYS  15  -3.765  -3.946  -7.153
  152   2HG   LYS  15          2HG       LYS  15  -5.461  -4.095  -6.690
  153   1HD   LYS  15          1HD       LYS  15  -4.807  -1.603  -8.124
  154   2HD   LYS  15          2HD       LYS  15  -4.600  -3.070  -9.081
  155   1HE   LYS  15          1HE       LYS  15  -7.055  -3.136  -7.507
  156   2HE   LYS  15          2HE       LYS  15  -7.010  -1.754  -8.601
  157   1HZ   LYS  15          1HZ       LYS  15  -6.067  -4.190  -9.796
  158   2HZ   LYS  15          2HZ       LYS  15  -7.687  -4.280  -9.293
  159   3HZ   LYS  15          3HZ       LYS  15  -7.197  -3.065 -10.375
  160    H    LYS  16           H        LYS  16  -4.126  -1.726  -2.581
  161    HA   LYS  16           HA       LYS  16  -1.896  -3.385  -2.084
  162   1HB   LYS  16          1HB       LYS  16  -3.296  -1.235  -0.714
  163   2HB   LYS  16          2HB       LYS  16  -2.712  -2.445   0.429
  164   1HG   LYS  16          1HG       LYS  16  -0.576  -2.182  -1.302
  165   2HG   LYS  16          2HG       LYS  16  -1.194  -0.532  -1.203
  166   1HD   LYS  16          1HD       LYS  16  -1.111  -0.642   1.258
  167   2HD   LYS  16          2HD       LYS  16  -0.500  -2.295   1.167
  168   1HE   LYS  16          1HE       LYS  16   1.189  -0.841  -0.519
  169   2HE   LYS  16          2HE       LYS  16   0.941   0.217   0.870
  170   1HZ   LYS  16          1HZ       LYS  16   1.523  -1.642   2.322
  171   2HZ   LYS  16          2HZ       LYS  16   1.823  -2.617   0.962
  172   3HZ   LYS  16          3HZ       LYS  16   2.793  -1.258   1.258
  173    H    LYS  17           H        LYS  17  -5.111  -3.459  -0.527
  174    HA   LYS  17           HA       LYS  17  -4.456  -6.028   0.730
  175   1HB   LYS  17          1HB       LYS  17  -6.689  -4.049   0.948
  176   2HB   LYS  17          2HB       LYS  17  -6.970  -5.711   1.473
  177   1HG   LYS  17          1HG       LYS  17  -5.019  -5.582   2.968
  178   2HG   LYS  17          2HG       LYS  17  -4.708  -3.930   2.432
  179   1HD   LYS  17          1HD       LYS  17  -6.485  -3.065   3.611
  180   2HD   LYS  17          2HD       LYS  17  -7.445  -4.537   3.453
  181   1HE   LYS  17          1HE       LYS  17  -6.626  -5.411   5.378
  182   2HE   LYS  17          2HE       LYS  17  -4.978  -4.908   5.005
  183   1HZ   LYS  17          1HZ       LYS  17  -6.649  -2.671   5.542
  184   2HZ   LYS  17          2HZ       LYS  17  -6.666  -3.764   6.841
  185   3HZ   LYS  17          3HZ       LYS  17  -5.193  -3.130   6.289
  186    H    ILE  18           H        ILE  18  -6.887  -4.779  -1.575
  187    HA   ILE  18           HA       ILE  18  -8.182  -7.215  -2.113
  188    HB   ILE  18           HB       ILE  18  -9.323  -5.453  -3.040
  189   1HG1  ILE  18          1HG1      ILE  18  -7.450  -6.317  -5.249
  190   2HG1  ILE  18          2HG1      ILE  18  -9.075  -6.921  -4.925
  191   1HG2  ILE  18          1HG2      ILE  18  -6.596  -4.307  -3.343
  192   2HG2  ILE  18          2HG2      ILE  18  -7.855  -3.679  -4.405
  193   3HG2  ILE  18          3HG2      ILE  18  -8.050  -3.582  -2.656
  194   1HD1  ILE  18          1HD1      ILE  18  -9.749  -4.388  -5.229
  195   2HD1  ILE  18          2HD1      ILE  18  -8.227  -4.299  -6.115
  196   3HD1  ILE  18          3HD1      ILE  18  -9.496  -5.403  -6.650
  197    H    LYS  19           H        LYS  19  -5.469  -5.681  -3.871
  198    HA   LYS  19           HA       LYS  19  -5.090  -7.845  -5.697
  199   1HB   LYS  19          1HB       LYS  19  -4.143  -5.425  -5.772
  200   2HB   LYS  19          2HB       LYS  19  -2.848  -6.064  -4.758
  201   1HG   LYS  19          1HG       LYS  19  -3.145  -7.964  -6.792
  202   2HG   LYS  19          2HG       LYS  19  -3.280  -6.407  -7.613
  203   1HD   LYS  19          1HD       LYS  19  -1.202  -5.847  -6.005
  204   2HD   LYS  19          2HD       LYS  19  -0.965  -7.588  -6.161
  205   1HE   LYS  19          1HE       LYS  19  -1.468  -5.878  -8.592
  206   2HE   LYS  19          2HE       LYS  19   0.156  -6.040  -7.922
  207   1HZ   LYS  19          1HZ       LYS  19  -1.510  -8.410  -8.503
  208   2HZ   LYS  19          2HZ       LYS  19  -0.556  -7.686  -9.710
  209   3HZ   LYS  19          3HZ       LYS  19   0.177  -8.316  -8.317
  210    H    LYS  20           H        LYS  20  -4.415  -7.573  -2.363
  211    HA   LYS  20           HA       LYS  20  -2.132  -9.351  -2.290
  212   1HB   LYS  20          1HB       LYS  20  -2.945  -7.617  -0.508
  213   2HB   LYS  20          2HB       LYS  20  -3.987  -8.931   0.037
  214   1HG   LYS  20          1HG       LYS  20  -1.089  -9.515  -0.445
  215   2HG   LYS  20          2HG       LYS  20  -1.539  -8.649   1.025
  216   1HD   LYS  20          1HD       LYS  20  -2.972 -11.175   0.215
  217   2HD   LYS  20          2HD       LYS  20  -1.465 -11.237   1.130
  218   1HE   LYS  20          1HE       LYS  20  -2.553  -9.619   2.777
  219   2HE   LYS  20          2HE       LYS  20  -4.074  -9.941   1.945
  220   1HZ   LYS  20          1HZ       LYS  20  -2.376 -12.140   2.946
  221   2HZ   LYS  20          2HZ       LYS  20  -3.499 -11.364   3.958
  222   3HZ   LYS  20          3HZ       LYS  20  -4.027 -12.169   2.559
  223    H    LEU  21           H        LEU  21  -5.632  -9.747  -1.710
  224    HA   LEU  21           HA       LEU  21  -5.471 -12.515  -1.018
  225   1HB   LEU  21          1HB       LEU  21  -7.824 -12.501  -1.107
  226   2HB   LEU  21          2HB       LEU  21  -7.403 -10.848  -0.666
  227    HG   LEU  21           HG       LEU  21  -7.451 -10.394  -3.226
  228   1HD1  LEU  21          1HD1      LEU  21  -8.104 -13.166  -3.160
  229   2HD1  LEU  21          2HD1      LEU  21  -9.551 -12.297  -3.672
  230   3HD1  LEU  21          3HD1      LEU  21  -8.043 -12.102  -4.566
  231   1HD2  LEU  21          1HD2      LEU  21  -9.347 -10.209  -1.172
  232   2HD2  LEU  21          2HD2      LEU  21  -9.396  -9.368  -2.721
  233   3HD2  LEU  21          3HD2      LEU  21 -10.227 -10.912  -2.529
  234    H    GLU  22           H        GLU  22  -5.989 -10.853  -4.105
  235    HA   GLU  22           HA       GLU  22  -6.376 -13.316  -5.576
  236   1HB   GLU  22          1HB       GLU  22  -6.202 -11.853  -7.580
  237   2HB   GLU  22          2HB       GLU  22  -7.358 -11.237  -6.398
  238   1HG   GLU  22          1HG       GLU  22  -5.994  -9.474  -5.774
  239   2HG   GLU  22          2HG       GLU  22  -4.514 -10.329  -6.203
  240    H    GLU  23           H        GLU  23  -3.695 -12.297  -4.065
  241    HA   GLU  23           HA       GLU  23  -1.952 -13.522  -6.117
  242   1HB   GLU  23          1HB       GLU  23  -1.884 -10.868  -5.744
  243   2HB   GLU  23          2HB       GLU  23  -0.797 -11.353  -4.442
  244   1HG   GLU  23          1HG       GLU  23   0.423 -10.931  -6.571
  245   2HG   GLU  23          2HG       GLU  23   0.593 -12.600  -6.026
  246    H    ASP  24           H        ASP  24  -2.547 -12.793  -2.719
  247    HA   ASP  24           HA       ASP  24  -0.341 -14.613  -1.924
  248   1HB   ASP  24          1HB       ASP  24  -1.522 -12.295  -0.773
  249   2HB   ASP  24          2HB       ASP  24  -1.855 -13.645   0.313
  250    H    ASN  25           H        ASN  25  -2.087 -16.177  -3.156
  251    HA   ASN  25           HA       ASN  25  -3.885 -17.284  -1.041
  252   1HB   ASN  25          1HB       ASN  25  -4.067 -17.063  -3.986
  253   2HB   ASN  25          2HB       ASN  25  -4.596 -18.605  -3.315
  254   1HD2  ASN  25          2HD2      ASN  25  -4.851 -15.626  -1.430
  255   2HD2  ASN  25          1HD2      ASN  25  -6.545 -15.523  -1.487
  256    HA   PRO  26           HA       PRO  26  -1.396 -20.891  -0.850
  257   1HB   PRO  26          1HB       PRO  26  -3.324 -22.716  -0.132
  258   2HB   PRO  26          2HB       PRO  26  -2.660 -21.505   0.978
  259   1HG   PRO  26          1HG       PRO  26  -5.319 -21.557  -0.370
  260   2HG   PRO  26          2HG       PRO  26  -4.847 -20.781   1.152
  261   1HD   PRO  26          1HD       PRO  26  -5.194 -19.476  -1.338
  262   2HD   PRO  26          2HD       PRO  26  -4.412 -18.789   0.102
  263    H    TRP  27           H        TRP  27  -4.368 -22.514  -1.834
  264    HA   TRP  27           HA       TRP  27  -3.134 -24.139  -3.793
  265   1HB   TRP  27          1HB       TRP  27  -5.627 -24.131  -4.745
  266   2HB   TRP  27          2HB       TRP  27  -5.228 -24.951  -3.237
  267    HD1  TRP  27           HD1      TRP  27  -6.307 -21.391  -4.329
  268    HE1  TRP  27           HE1      TRP  27  -7.917 -20.464  -2.542
  269    HE3  TRP  27           HE3      TRP  27  -6.284 -25.279  -1.018
  270    HZ2  TRP  27           HZ2      TRP  27  -9.046 -21.266  -0.038
  271    HZ3  TRP  27           HZ3      TRP  27  -7.636 -25.171   1.057
  272    HH2  TRP  27           HH2      TRP  27  -9.015 -23.171   1.551
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1  -3.272  21.952   2.861
    2   2H    ARG   1          2H        ARG   1  -4.457  22.913   3.601
    3   3H    ARG   1          3H        ARG   1  -4.236  21.305   4.101
    4    HA   ARG   1           HA       ARG   1  -6.098  21.128   2.777
    5   1HB   ARG   1          1HB       ARG   1  -4.984  23.531   1.621
    6   2HB   ARG   1          2HB       ARG   1  -5.444  22.406   0.343
    7   1HG   ARG   1          1HG       ARG   1  -7.579  23.052   0.638
    8   2HG   ARG   1          2HG       ARG   1  -7.531  22.288   2.227
    9   1HD   ARG   1          1HD       ARG   1  -6.294  24.583   2.852
   10   2HD   ARG   1          2HD       ARG   1  -7.256  25.167   1.495
   11    HE   ARG   1           HE       ARG   1  -8.293  24.294   4.096
   12   1HH1  ARG   1          1HH1      ARG   1  -9.740  22.866   1.798
   13   2HH1  ARG   1          2HH1      ARG   1 -11.069  23.942   1.534
   14   1HH2  ARG   1          1HH2      ARG   1  -9.649  26.562   3.305
   15   2HH2  ARG   1          2HH2      ARG   1 -11.019  26.033   2.385
   16    H    LYS   2           H        LYS   2  -3.806  19.510   3.012
   17    HA   LYS   2           HA       LYS   2  -3.043  18.701   0.277
   18   1HB   LYS   2          1HB       LYS   2  -1.560  17.095   1.419
   19   2HB   LYS   2          2HB       LYS   2  -1.329  18.724   2.054
   20   1HG   LYS   2          1HG       LYS   2  -3.308  17.836   3.694
   21   2HG   LYS   2          2HG       LYS   2  -2.454  16.327   3.377
   22   1HD   LYS   2          1HD       LYS   2  -0.473  18.312   3.820
   23   2HD   LYS   2          2HD       LYS   2  -1.675  18.491   5.100
   24   1HE   LYS   2          1HE       LYS   2  -1.450  15.788   5.041
   25   2HE   LYS   2          2HE       LYS   2   0.183  16.246   4.555
   26   1HZ   LYS   2          1HZ       LYS   2  -1.207  17.364   6.925
   27   2HZ   LYS   2          2HZ       LYS   2  -0.144  16.041   6.993
   28   3HZ   LYS   2          3HZ       LYS   2   0.426  17.561   6.502
   29    H    LYS   3           H        LYS   3  -5.727  18.328   0.465
   30    HA   LYS   3           HA       LYS   3  -6.245  15.602   1.366
   31   1HB   LYS   3          1HB       LYS   3  -7.958  17.396   1.673
   32   2HB   LYS   3          2HB       LYS   3  -8.096  17.508  -0.083
   33   1HG   LYS   3          1HG       LYS   3  -9.399  15.667  -0.190
   34   2HG   LYS   3          2HG       LYS   3  -8.316  14.755   0.862
   35   1HD   LYS   3          1HD       LYS   3  -9.427  15.393   2.794
   36   2HD   LYS   3          2HD       LYS   3 -10.023  16.892   2.081
   37   1HE   LYS   3          1HE       LYS   3 -11.487  15.482   0.575
   38   2HE   LYS   3          2HE       LYS   3 -11.016  14.083   1.541
   39   1HZ   LYS   3          1HZ       LYS   3 -12.001  16.456   2.940
   40   2HZ   LYS   3          2HZ       LYS   3 -13.134  15.496   2.120
   41   3HZ   LYS   3          3HZ       LYS   3 -12.169  14.814   3.340
   42    H    LEU   4           H        LEU   4  -4.522  16.482  -0.982
   43    HA   LEU   4           HA       LEU   4  -5.825  15.089  -3.216
   44   1HB   LEU   4          1HB       LEU   4  -4.502  17.168  -3.630
   45   2HB   LEU   4          2HB       LEU   4  -3.060  16.326  -3.061
   46    HG   LEU   4           HG       LEU   4  -3.444  16.376  -5.603
   47   1HD1  LEU   4          1HD1      LEU   4  -2.104  14.657  -4.055
   48   2HD1  LEU   4          2HD1      LEU   4  -3.316  13.539  -4.681
   49   3HD1  LEU   4          3HD1      LEU   4  -2.258  14.406  -5.794
   50   1HD2  LEU   4          1HD2      LEU   4  -5.958  15.668  -5.073
   51   2HD2  LEU   4          2HD2      LEU   4  -5.153  15.119  -6.544
   52   3HD2  LEU   4          3HD2      LEU   4  -5.270  14.046  -5.149
   53    H    GLU   5           H        GLU   5  -2.510  14.894  -1.918
   54    HA   GLU   5           HA       GLU   5  -2.144  12.165  -2.662
   55   1HB   GLU   5          1HB       GLU   5  -0.113  12.295  -1.409
   56   2HB   GLU   5          2HB       GLU   5  -0.363  13.911  -2.072
   57   1HG   GLU   5          1HG       GLU   5  -1.667  14.306   0.188
   58   2HG   GLU   5          2HG       GLU   5  -0.685  12.954   0.755
   59    H    GLU   6           H        GLU   6  -3.680  13.725   0.020
   60    HA   GLU   6           HA       GLU   6  -3.547  11.692   1.985
   61   1HB   GLU   6          1HB       GLU   6  -5.059  14.112   1.523
   62   2HB   GLU   6          2HB       GLU   6  -6.121  12.847   2.146
   63   1HG   GLU   6          1HG       GLU   6  -3.458  13.140   3.449
   64   2HG   GLU   6          2HG       GLU   6  -4.651  14.400   3.770
   65    H    LEU   7           H        LEU   7  -6.091  12.257  -0.479
   66    HA   LEU   7           HA       LEU   7  -7.508   9.851   0.147
   67   1HB   LEU   7          1HB       LEU   7  -7.526  11.809  -2.122
   68   2HB   LEU   7          2HB       LEU   7  -8.412  10.290  -2.278
   69    HG   LEU   7           HG       LEU   7  -9.660  12.340  -1.278
   70   1HD1  LEU   7          1HD1      LEU   7  -9.803   9.538  -0.844
   71   2HD1  LEU   7          2HD1      LEU   7 -10.101  10.307   0.714
   72   3HD1  LEU   7          3HD1      LEU   7 -11.105  10.717  -0.676
   73   1HD2  LEU   7          1HD2      LEU   7  -7.813  12.923   0.298
   74   2HD2  LEU   7          2HD2      LEU   7  -9.342  12.641   1.130
   75   3HD2  LEU   7          3HD2      LEU   7  -8.090  11.400   1.143
   76    H    GLU   8           H        GLU   8  -5.265  10.623  -2.556
   77    HA   GLU   8           HA       GLU   8  -5.258   8.193  -3.886
   78   1HB   GLU   8          1HB       GLU   8  -3.259   8.847  -4.819
   79   2HB   GLU   8          2HB       GLU   8  -3.686  10.378  -4.058
   80   1HG   GLU   8          1HG       GLU   8  -2.425   9.521  -1.993
   81   2HG   GLU   8          2HG       GLU   8  -1.777   8.266  -3.047
   82    H    ARG   9           H        ARG   9  -4.022   8.909  -0.704
   83    HA   ARG   9           HA       ARG   9  -2.636   6.371  -0.393
   84   1HB   ARG   9          1HB       ARG   9  -3.212   8.751   1.292
   85   2HB   ARG   9          2HB       ARG   9  -2.988   7.225   2.148
   86   1HG   ARG   9          1HG       ARG   9  -1.048   8.358   0.111
   87   2HG   ARG   9          2HG       ARG   9  -0.849   8.471   1.861
   88   1HD   ARG   9          1HD       ARG   9  -1.412   5.741   0.979
   89   2HD   ARG   9          2HD       ARG   9   0.062   6.391   0.258
   90    HE   ARG   9           HE       ARG   9  -0.198   6.775   3.167
   91   1HH1  ARG   9          1HH1      ARG   9   0.154   4.003   1.422
   92   2HH1  ARG   9          2HH1      ARG   9   1.768   3.641   1.933
   93   1HH2  ARG   9          1HH2      ARG   9   2.262   6.722   3.447
   94   2HH2  ARG   9          2HH2      ARG   9   2.965   5.182   3.080
   95    H    ASP  10           H        ASP  10  -5.725   7.779   0.685
   96    HA   ASP  10           HA       ASP  10  -6.653   5.586   2.212
   97   1HB   ASP  10          1HB       ASP  10  -7.741   8.010   1.137
   98   2HB   ASP  10          2HB       ASP  10  -8.866   6.695   0.797
   99    H    LEU  11           H        LEU  11  -6.498   6.050  -1.266
  100    HA   LEU  11           HA       LEU  11  -8.256   3.860  -1.921
  101   1HB   LEU  11          1HB       LEU  11  -7.770   4.359  -4.127
  102   2HB   LEU  11          2HB       LEU  11  -7.313   5.886  -3.379
  103    HG   LEU  11           HG       LEU  11  -4.961   4.796  -3.126
  104   1HD1  LEU  11          1HD1      LEU  11  -6.349   2.652  -4.281
  105   2HD1  LEU  11          2HD1      LEU  11  -5.364   3.305  -5.590
  106   3HD1  LEU  11          3HD1      LEU  11  -4.601   2.787  -4.085
  107   1HD2  LEU  11          1HD2      LEU  11  -6.234   6.308  -5.183
  108   2HD2  LEU  11          2HD2      LEU  11  -4.525   6.298  -4.746
  109   3HD2  LEU  11          3HD2      LEU  11  -5.131   5.174  -5.962
  110    H    ARG  12           H        ARG  12  -4.796   4.254  -1.415
  111    HA   ARG  12           HA       ARG  12  -4.008   1.631  -2.239
  112   1HB   ARG  12          1HB       ARG  12  -2.828   3.858  -0.653
  113   2HB   ARG  12          2HB       ARG  12  -2.123   2.259  -0.423
  114   1HG   ARG  12          1HG       ARG  12  -1.504   2.074  -2.693
  115   2HG   ARG  12          2HG       ARG  12  -2.608   3.359  -3.188
  116   1HD   ARG  12          1HD       ARG  12  -1.243   5.040  -2.126
  117   2HD   ARG  12          2HD       ARG  12  -0.225   3.813  -1.374
  118    HE   ARG  12           HE       ARG  12   0.981   3.704  -3.388
  119   1HH1  ARG  12          1HH1      ARG  12  -1.581   5.865  -3.755
  120   2HH1  ARG  12          2HH1      ARG  12  -1.605   5.806  -5.486
  121   1HH2  ARG  12          1HH2      ARG  12   0.704   3.230  -5.696
  122   2HH2  ARG  12          2HH2      ARG  12  -0.312   4.314  -6.584
  123    H    LYS  13           H        LYS  13  -5.036   3.003   0.860
  124    HA   LYS  13           HA       LYS  13  -4.501   0.896   2.609
  125   1HB   LYS  13          1HB       LYS  13  -5.834   3.227   2.860
  126   2HB   LYS  13          2HB       LYS  13  -7.209   2.123   2.816
  127   1HG   LYS  13          1HG       LYS  13  -6.502   0.970   4.743
  128   2HG   LYS  13          2HG       LYS  13  -4.849   1.570   4.606
  129   1HD   LYS  13          1HD       LYS  13  -5.477   3.760   5.305
  130   2HD   LYS  13          2HD       LYS  13  -7.194   3.412   5.098
  131   1HE   LYS  13          1HE       LYS  13  -6.695   1.508   6.867
  132   2HE   LYS  13          2HE       LYS  13  -5.336   2.550   7.285
  133   1HZ   LYS  13          1HZ       LYS  13  -8.183   3.390   7.176
  134   2HZ   LYS  13          2HZ       LYS  13  -7.306   3.071   8.593
  135   3HZ   LYS  13          3HZ       LYS  13  -6.868   4.379   7.602
  136    H    LEU  14           H        LEU  14  -6.890   1.059   0.057
  137    HA   LEU  14           HA       LEU  14  -8.350  -1.282   0.971
  138   1HB   LEU  14          1HB       LEU  14  -8.990   0.739  -0.718
  139   2HB   LEU  14          2HB       LEU  14  -8.500  -0.492  -1.884
  140    HG   LEU  14           HG       LEU  14 -10.095  -1.781   0.092
  141   1HD1  LEU  14          1HD1      LEU  14 -10.808   0.944  -0.147
  142   2HD1  LEU  14          2HD1      LEU  14 -12.006   0.044  -1.076
  143   3HD1  LEU  14          3HD1      LEU  14 -11.741  -0.339   0.625
  144   1HD2  LEU  14          1HD2      LEU  14  -9.778  -2.328  -2.356
  145   2HD2  LEU  14          2HD2      LEU  14 -11.460  -2.348  -1.826
  146   3HD2  LEU  14          3HD2      LEU  14 -10.839  -0.971  -2.736
  147    H    LYS  15           H        LYS  15  -6.571  -0.766  -2.078
  148    HA   LYS  15           HA       LYS  15  -6.233  -3.342  -2.938
  149   1HB   LYS  15          1HB       LYS  15  -4.588  -0.887  -3.108
  150   2HB   LYS  15          2HB       LYS  15  -3.737  -2.394  -3.451
  151   1HG   LYS  15          1HG       LYS  15  -6.384  -2.254  -4.706
  152   2HG   LYS  15          2HG       LYS  15  -5.282  -0.995  -5.264
  153   1HD   LYS  15          1HD       LYS  15  -4.107  -3.704  -5.030
  154   2HD   LYS  15          2HD       LYS  15  -5.320  -3.509  -6.295
  155   1HE   LYS  15          1HE       LYS  15  -3.469  -2.811  -7.476
  156   2HE   LYS  15          2HE       LYS  15  -3.923  -1.269  -6.749
  157   1HZ   LYS  15          1HZ       LYS  15  -2.421  -1.895  -4.860
  158   2HZ   LYS  15          2HZ       LYS  15  -1.848  -3.170  -5.825
  159   3HZ   LYS  15          3HZ       LYS  15  -1.638  -1.565  -6.331
  160    H    LYS  16           H        LYS  16  -4.724  -1.897  -0.140
  161    HA   LYS  16           HA       LYS  16  -2.622  -3.784   0.222
  162   1HB   LYS  16          1HB       LYS  16  -2.282  -2.769   2.251
  163   2HB   LYS  16          2HB       LYS  16  -3.337  -1.550   1.538
  164   1HG   LYS  16          1HG       LYS  16  -5.294  -2.655   2.596
  165   2HG   LYS  16          2HG       LYS  16  -4.207  -3.822   3.350
  166   1HD   LYS  16          1HD       LYS  16  -3.094  -1.331   3.968
  167   2HD   LYS  16          2HD       LYS  16  -4.832  -1.097   4.161
  168   1HE   LYS  16          1HE       LYS  16  -4.988  -2.956   5.689
  169   2HE   LYS  16          2HE       LYS  16  -3.319  -3.427   5.367
  170   1HZ   LYS  16          1HZ       LYS  16  -3.643  -0.691   6.227
  171   2HZ   LYS  16          2HZ       LYS  16  -4.097  -1.841   7.394
  172   3HZ   LYS  16          3HZ       LYS  16  -2.531  -1.869   6.740
  173    H    LYS  17           H        LYS  17  -5.948  -3.788   1.519
  174    HA   LYS  17           HA       LYS  17  -5.623  -6.484   2.583
  175   1HB   LYS  17          1HB       LYS  17  -7.109  -4.500   3.472
  176   2HB   LYS  17          2HB       LYS  17  -8.274  -5.118   2.303
  177   1HG   LYS  17          1HG       LYS  17  -8.437  -7.206   3.376
  178   2HG   LYS  17          2HG       LYS  17  -6.920  -6.977   4.250
  179   1HD   LYS  17          1HD       LYS  17  -7.877  -5.505   5.794
  180   2HD   LYS  17          2HD       LYS  17  -9.213  -5.090   4.719
  181   1HE   LYS  17          1HE       LYS  17  -9.219  -7.930   5.268
  182   2HE   LYS  17          2HE       LYS  17  -9.229  -7.017   6.776
  183   1HZ   LYS  17          1HZ       LYS  17 -11.031  -5.631   5.651
  184   2HZ   LYS  17          2HZ       LYS  17 -11.163  -6.914   4.551
  185   3HZ   LYS  17          3HZ       LYS  17 -11.456  -7.181   6.202
  186    H    ILE  18           H        ILE  18  -7.617  -4.950   0.040
  187    HA   ILE  18           HA       ILE  18  -8.899  -7.248  -0.911
  188    HB   ILE  18           HB       ILE  18  -9.764  -5.402  -1.933
  189   1HG1  ILE  18          1HG1      ILE  18  -7.476  -6.126  -3.771
  190   2HG1  ILE  18          2HG1      ILE  18  -9.140  -6.708  -3.855
  191   1HG2  ILE  18          1HG2      ILE  18  -6.996  -4.334  -1.613
  192   2HG2  ILE  18          2HG2      ILE  18  -8.076  -3.542  -2.759
  193   3HG2  ILE  18          3HG2      ILE  18  -8.527  -3.659  -1.058
  194   1HD1  ILE  18          1HD1      ILE  18  -9.749  -4.179  -4.083
  195   2HD1  ILE  18          2HD1      ILE  18  -8.054  -3.981  -4.524
  196   3HD1  ILE  18          3HD1      ILE  18  -9.102  -5.019  -5.492
  197    H    LYS  19           H        LYS  19  -5.799  -5.829  -1.994
  198    HA   LYS  19           HA       LYS  19  -5.236  -7.905  -3.879
  199   1HB   LYS  19          1HB       LYS  19  -3.218  -6.830  -4.212
  200   2HB   LYS  19          2HB       LYS  19  -4.114  -5.524  -3.439
  201   1HG   LYS  19          1HG       LYS  19  -3.183  -6.240  -1.233
  202   2HG   LYS  19          2HG       LYS  19  -2.214  -7.452  -2.071
  203   1HD   LYS  19          1HD       LYS  19  -1.096  -5.690  -3.369
  204   2HD   LYS  19          2HD       LYS  19  -2.084  -4.465  -2.573
  205   1HE   LYS  19          1HE       LYS  19  -0.645  -4.392  -0.848
  206   2HE   LYS  19          2HE       LYS  19  -0.869  -6.119  -0.565
  207   1HZ   LYS  19          1HZ       LYS  19   0.871  -5.190  -2.754
  208   2HZ   LYS  19          2HZ       LYS  19   1.460  -5.238  -1.161
  209   3HZ   LYS  19          3HZ       LYS  19   0.909  -6.660  -1.902
  210    H    LYS  20           H        LYS  20  -5.078  -7.788  -0.448
  211    HA   LYS  20           HA       LYS  20  -3.071  -9.842  -0.106
  212   1HB   LYS  20          1HB       LYS  20  -3.694  -8.161   1.653
  213   2HB   LYS  20          2HB       LYS  20  -5.240  -8.991   1.829
  214   1HG   LYS  20          1HG       LYS  20  -3.896 -11.120   2.257
  215   2HG   LYS  20          2HG       LYS  20  -2.478 -10.081   2.402
  216   1HD   LYS  20          1HD       LYS  20  -3.053  -9.836   4.574
  217   2HD   LYS  20          2HD       LYS  20  -4.367  -8.809   3.993
  218   1HE   LYS  20          1HE       LYS  20  -5.747 -10.927   3.722
  219   2HE   LYS  20          2HE       LYS  20  -4.473 -11.772   4.603
  220   1HZ   LYS  20          1HZ       LYS  20  -5.969  -9.411   5.608
  221   2HZ   LYS  20          2HZ       LYS  20  -6.266 -11.019   6.061
  222   3HZ   LYS  20          3HZ       LYS  20  -4.785 -10.285   6.458
  223    H    LEU  21           H        LEU  21  -6.637  -9.831   0.207
  224    HA   LEU  21           HA       LEU  21  -6.798 -12.685   0.526
  225   1HB   LEU  21          1HB       LEU  21  -9.044 -12.335   0.804
  226   2HB   LEU  21          2HB       LEU  21  -8.518 -10.667   1.006
  227    HG   LEU  21           HG       LEU  21  -8.804 -10.499  -1.573
  228   1HD1  LEU  21          1HD1      LEU  21  -9.811 -13.190  -0.974
  229   2HD1  LEU  21          2HD1      LEU  21 -10.956 -12.202  -1.880
  230   3HD1  LEU  21          3HD1      LEU  21  -9.337 -12.488  -2.520
  231   1HD2  LEU  21          1HD2      LEU  21 -11.129 -10.778   0.349
  232   2HD2  LEU  21          2HD2      LEU  21 -10.253  -9.301  -0.051
  233   3HD2  LEU  21          3HD2      LEU  21 -11.271 -10.078  -1.263
  234    H    GLU  22           H        GLU  22  -7.153 -10.510  -2.250
  235    HA   GLU  22           HA       GLU  22  -8.120 -12.295  -4.176
  236   1HB   GLU  22          1HB       GLU  22  -6.518  -9.830  -4.204
  237   2HB   GLU  22          2HB       GLU  22  -6.232 -10.874  -5.596
  238   1HG   GLU  22          1HG       GLU  22  -9.003 -10.941  -5.262
  239   2HG   GLU  22          2HG       GLU  22  -8.573  -9.258  -4.954
  240    H    GLU  23           H        GLU  23  -5.035 -12.311  -2.589
  241    HA   GLU  23           HA       GLU  23  -4.269 -14.637  -4.251
  242   1HB   GLU  23          1HB       GLU  23  -3.001 -12.182  -4.383
  243   2HB   GLU  23          2HB       GLU  23  -1.995 -13.092  -3.254
  244   1HG   GLU  23          1HG       GLU  23  -1.472 -14.732  -4.832
  245   2HG   GLU  23          2HG       GLU  23  -2.909 -14.399  -5.799
  246    H    ASP  24           H        ASP  24  -1.874 -15.199  -2.857
  247    HA   ASP  24           HA       ASP  24  -1.165 -16.360  -0.946
  248   1HB   ASP  24          1HB       ASP  24  -1.521 -13.971  -0.050
  249   2HB   ASP  24          2HB       ASP  24  -3.041 -14.575   0.609
  250    H    ASN  25           H        ASN  25  -2.704 -18.042  -2.056
  251    HA   ASN  25           HA       ASN  25  -5.068 -18.609  -0.337
  252   1HB   ASN  25          1HB       ASN  25  -4.365 -19.108  -3.137
  253   2HB   ASN  25          2HB       ASN  25  -5.007 -20.539  -2.329
  254   1HD2  ASN  25          2HD2      ASN  25  -5.857 -17.461  -3.683
  255   2HD2  ASN  25          1HD2      ASN  25  -7.495 -17.481  -3.237
  256    HA   PRO  26           HA       PRO  26  -3.184 -22.079   1.563
  257   1HB   PRO  26          1HB       PRO  26  -5.268 -23.871   1.612
  258   2HB   PRO  26          2HB       PRO  26  -5.186 -22.439   2.655
  259   1HG   PRO  26          1HG       PRO  26  -6.871 -22.906   0.235
  260   2HG   PRO  26          2HG       PRO  26  -7.175 -21.855   1.628
  261   1HD   PRO  26          1HD       PRO  26  -6.256 -21.010  -0.910
  262   2HD   PRO  26          2HD       PRO  26  -6.232 -20.045   0.582
  263    H    TRP  27           H        TRP  27  -5.394 -23.980  -0.434
  264    HA   TRP  27           HA       TRP  27  -3.569 -24.673  -2.519
  265   1HB   TRP  27          1HB       TRP  27  -2.803 -25.798  -0.102
  266   2HB   TRP  27          2HB       TRP  27  -3.729 -27.090  -0.867
  267    HD1  TRP  27           HD1      TRP  27  -2.813 -25.792  -3.851
  268    HE1  TRP  27           HE1      TRP  27  -0.511 -26.545  -4.732
  269    HE3  TRP  27           HE3      TRP  27  -0.710 -27.456   0.495
  270    HZ2  TRP  27           HZ2      TRP  27   1.903 -27.701  -3.725
  271    HZ3  TRP  27           HZ3      TRP  27   1.590 -28.378   0.505
  272    HH2  TRP  27           HH2      TRP  27   2.899 -28.503  -1.597
  Start of MODEL   12
    1   1H    ARG   1          1H        ARG   1  -4.978  22.322  -0.247
    2   2H    ARG   1          2H        ARG   1  -5.638  23.259   1.008
    3   3H    ARG   1          3H        ARG   1  -3.953  23.137   0.833
    4    HA   ARG   1           HA       ARG   1  -4.274  21.655   2.522
    5   1HB   ARG   1          1HB       ARG   1  -6.900  21.032   1.143
    6   2HB   ARG   1          2HB       ARG   1  -6.298  20.136   2.540
    7   1HG   ARG   1          1HG       ARG   1  -6.125  22.981   3.030
    8   2HG   ARG   1          2HG       ARG   1  -7.771  22.541   2.575
    9   1HD   ARG   1          1HD       ARG   1  -7.508  20.596   4.261
   10   2HD   ARG   1          2HD       ARG   1  -6.120  21.494   4.873
   11    HE   ARG   1           HE       ARG   1  -8.315  23.290   4.731
   12   1HH1  ARG   1          1HH1      ARG   1  -6.560  21.327   6.807
   13   2HH1  ARG   1          2HH1      ARG   1  -7.752  21.281   8.061
   14   1HH2  ARG   1          1HH2      ARG   1 -10.190  22.860   6.165
   15   2HH2  ARG   1          2HH2      ARG   1  -9.808  22.151   7.698
   16    H    LYS   2           H        LYS   2  -3.672  19.393   2.602
   17    HA   LYS   2           HA       LYS   2  -2.597  18.439   0.033
   18   1HB   LYS   2          1HB       LYS   2  -1.444  18.362   2.384
   19   2HB   LYS   2          2HB       LYS   2  -2.426  16.917   2.623
   20   1HG   LYS   2          1HG       LYS   2  -0.373  16.127   1.711
   21   2HG   LYS   2          2HG       LYS   2  -1.515  16.110   0.366
   22   1HD   LYS   2          1HD       LYS   2   0.656  17.115  -0.290
   23   2HD   LYS   2          2HD       LYS   2  -0.664  18.277  -0.412
   24   1HE   LYS   2          1HE       LYS   2   0.413  18.349   2.254
   25   2HE   LYS   2          2HE       LYS   2   1.726  18.536   1.091
   26   1HZ   LYS   2          1HZ       LYS   2  -0.690  20.035   0.514
   27   2HZ   LYS   2          2HZ       LYS   2   0.165  20.537   1.894
   28   3HZ   LYS   2          3HZ       LYS   2   0.935  20.499   0.378
   29    H    LYS   3           H        LYS   3  -5.160  18.283  -0.462
   30    HA   LYS   3           HA       LYS   3  -6.281  15.770   0.501
   31   1HB   LYS   3          1HB       LYS   3  -7.392  18.155  -0.425
   32   2HB   LYS   3          2HB       LYS   3  -7.712  16.998  -1.716
   33   1HG   LYS   3          1HG       LYS   3  -9.559  16.894  -0.161
   34   2HG   LYS   3          2HG       LYS   3  -8.610  15.418   0.028
   35   1HD   LYS   3          1HD       LYS   3  -7.333  16.838   1.853
   36   2HD   LYS   3          2HD       LYS   3  -8.827  17.778   1.866
   37   1HE   LYS   3          1HE       LYS   3  -8.518  14.815   2.412
   38   2HE   LYS   3          2HE       LYS   3  -9.063  16.060   3.536
   39   1HZ   LYS   3          1HZ       LYS   3 -10.968  16.452   2.054
   40   2HZ   LYS   3          2HZ       LYS   3 -10.465  15.160   1.078
   41   3HZ   LYS   3          3HZ       LYS   3 -10.948  14.874   2.682
   42    H    LEU   4           H        LEU   4  -3.882  16.102  -1.336
   43    HA   LEU   4           HA       LEU   4  -4.771  14.601  -3.699
   44   1HB   LEU   4          1HB       LEU   4  -3.030  16.431  -3.860
   45   2HB   LEU   4          2HB       LEU   4  -1.945  15.386  -2.943
   46    HG   LEU   4           HG       LEU   4  -1.699  15.241  -5.471
   47   1HD1  LEU   4          1HD1      LEU   4  -1.298  13.377  -3.593
   48   2HD1  LEU   4          2HD1      LEU   4  -2.579  12.560  -4.488
   49   3HD1  LEU   4          3HD1      LEU   4  -1.086  13.019  -5.307
   50   1HD2  LEU   4          1HD2      LEU   4  -4.285  15.328  -5.716
   51   2HD2  LEU   4          2HD2      LEU   4  -3.395  14.224  -6.764
   52   3HD2  LEU   4          3HD2      LEU   4  -4.231  13.606  -5.341
   53    H    GLU   5           H        GLU   5  -1.959  14.132  -1.568
   54    HA   GLU   5           HA       GLU   5  -1.995  11.284  -1.917
   55   1HB   GLU   5          1HB       GLU   5  -0.132  11.258  -0.481
   56   2HB   GLU   5          2HB       GLU   5  -0.038  12.856  -1.221
   57   1HG   GLU   5          1HG       GLU   5  -1.530  13.568   0.831
   58   2HG   GLU   5          2HG       GLU   5  -0.866  12.107   1.564
   59    H    GLU   6           H        GLU   6  -3.506  13.508   0.297
   60    HA   GLU   6           HA       GLU   6  -4.082  11.920   2.518
   61   1HB   GLU   6          1HB       GLU   6  -5.240  14.258   1.246
   62   2HB   GLU   6          2HB       GLU   6  -6.504  13.227   1.916
   63   1HG   GLU   6          1HG       GLU   6  -4.366  13.321   3.805
   64   2HG   GLU   6          2HG       GLU   6  -4.730  14.978   3.318
   65    H    LEU   7           H        LEU   7  -6.464  12.305  -0.128
   66    HA   LEU   7           HA       LEU   7  -7.793   9.854   0.549
   67   1HB   LEU   7          1HB       LEU   7  -7.947  11.811  -1.718
   68   2HB   LEU   7          2HB       LEU   7  -8.780  10.262  -1.852
   69    HG   LEU   7           HG       LEU   7 -10.049  12.297  -0.805
   70   1HD1  LEU   7          1HD1      LEU   7  -9.939   9.438   0.020
   71   2HD1  LEU   7          2HD1      LEU   7 -10.869  10.522   1.054
   72   3HD1  LEU   7          3HD1      LEU   7 -11.281  10.363  -0.653
   73   1HD2  LEU   7          1HD2      LEU   7  -8.150  12.804   0.778
   74   2HD2  LEU   7          2HD2      LEU   7  -9.706  12.584   1.579
   75   3HD2  LEU   7          3HD2      LEU   7  -8.510  11.289   1.607
   76    H    GLU   8           H        GLU   8  -5.553  10.728  -2.118
   77    HA   GLU   8           HA       GLU   8  -5.493   8.377  -3.570
   78   1HB   GLU   8          1HB       GLU   8  -3.304  10.247  -2.699
   79   2HB   GLU   8          2HB       GLU   8  -2.899   8.794  -3.614
   80   1HG   GLU   8          1HG       GLU   8  -3.344  10.924  -4.973
   81   2HG   GLU   8          2HG       GLU   8  -4.208   9.471  -5.472
   82    H    ARG   9           H        ARG   9  -4.279   8.936  -0.345
   83    HA   ARG   9           HA       ARG   9  -2.937   6.374  -0.120
   84   1HB   ARG   9          1HB       ARG   9  -3.565   8.663   1.685
   85   2HB   ARG   9          2HB       ARG   9  -3.248   7.100   2.439
   86   1HG   ARG   9          1HG       ARG   9  -1.156   6.999   0.936
   87   2HG   ARG   9          2HG       ARG   9  -1.424   8.721   0.659
   88   1HD   ARG   9          1HD       ARG   9  -1.647   8.126   3.478
   89   2HD   ARG   9          2HD       ARG   9  -0.105   7.537   2.855
   90    HE   ARG   9           HE       ARG   9  -0.875  10.312   2.154
   91   1HH1  ARG   9          1HH2      ARG   9  -0.230  10.129   5.072
   92   2HH1  ARG   9          2HH2      ARG   9   1.481  10.399   5.084
   93   1HH2  ARG   9          1HH1      ARG   9   1.871   9.790   1.694
   94   2HH2  ARG   9          2HH1      ARG   9   2.669  10.208   3.172
   95    H    ASP  10           H        ASP  10  -6.038   7.738   0.962
   96    HA   ASP  10           HA       ASP  10  -6.942   5.445   2.388
   97   1HB   ASP  10          1HB       ASP  10  -7.960   7.985   1.731
   98   2HB   ASP  10          2HB       ASP  10  -9.117   6.831   1.069
   99    H    LEU  11           H        LEU  11  -6.796   6.126  -1.040
  100    HA   LEU  11           HA       LEU  11  -8.698   4.051  -1.755
  101   1HB   LEU  11          1HB       LEU  11  -8.454   4.812  -3.908
  102   2HB   LEU  11          2HB       LEU  11  -7.818   6.225  -3.069
  103    HG   LEU  11           HG       LEU  11  -5.524   5.015  -3.231
  104   1HD1  LEU  11          1HD1      LEU  11  -7.287   3.207  -4.673
  105   2HD1  LEU  11          2HD1      LEU  11  -5.969   3.770  -5.701
  106   3HD1  LEU  11          3HD1      LEU  11  -5.613   2.965  -4.173
  107   1HD2  LEU  11          1HD2      LEU  11  -6.375   7.050  -4.539
  108   2HD2  LEU  11          2HD2      LEU  11  -5.075   6.125  -5.292
  109   3HD2  LEU  11          3HD2      LEU  11  -6.736   5.923  -5.846
  110    H    ARG  12           H        ARG  12  -5.176   4.367  -1.594
  111    HA   ARG  12           HA       ARG  12  -4.681   1.718  -2.643
  112   1HB   ARG  12          1HB       ARG  12  -3.083   3.950  -1.521
  113   2HB   ARG  12          2HB       ARG  12  -2.389   2.338  -1.344
  114   1HG   ARG  12          1HG       ARG  12  -3.501   2.696  -4.000
  115   2HG   ARG  12          2HG       ARG  12  -2.313   3.949  -3.642
  116   1HD   ARG  12          1HD       ARG  12  -0.723   2.164  -2.906
  117   2HD   ARG  12          2HD       ARG  12  -1.897   0.956  -3.427
  118    HE   ARG  12           HE       ARG  12  -1.014   2.941  -5.442
  119   1HH1  ARG  12          1HH1      ARG  12   0.713   0.499  -4.202
  120   2HH1  ARG  12          2HH1      ARG  12   0.651  -0.553  -5.575
  121   1HH2  ARG  12          1HH2      ARG  12  -1.813   1.268  -7.197
  122   2HH2  ARG  12          2HH2      ARG  12  -0.774  -0.116  -7.273
  123    H    LYS  13           H        LYS  13  -5.351   3.087   0.480
  124    HA   LYS  13           HA       LYS  13  -4.248   1.124   2.190
  125   1HB   LYS  13          1HB       LYS  13  -6.063   3.313   2.417
  126   2HB   LYS  13          2HB       LYS  13  -6.815   1.917   3.190
  127   1HG   LYS  13          1HG       LYS  13  -5.089   1.680   4.747
  128   2HG   LYS  13          2HG       LYS  13  -3.928   2.544   3.737
  129   1HD   LYS  13          1HD       LYS  13  -4.380   4.363   4.998
  130   2HD   LYS  13          2HD       LYS  13  -5.941   4.416   4.177
  131   1HE   LYS  13          1HE       LYS  13  -5.764   2.488   6.415
  132   2HE   LYS  13          2HE       LYS  13  -5.665   4.188   6.879
  133   1HZ   LYS  13          1HZ       LYS  13  -7.787   2.997   5.176
  134   2HZ   LYS  13          2HZ       LYS  13  -7.953   3.386   6.822
  135   3HZ   LYS  13          3HZ       LYS  13  -7.700   4.615   5.676
  136    H    LEU  14           H        LEU  14  -7.127   1.047   0.175
  137    HA   LEU  14           HA       LEU  14  -8.206  -1.339   1.411
  138   1HB   LEU  14          1HB       LEU  14  -8.797   0.221  -1.094
  139   2HB   LEU  14          2HB       LEU  14  -9.546  -1.354  -0.822
  140    HG   LEU  14           HG       LEU  14  -9.696   0.276   1.570
  141   1HD1  LEU  14          1HD1      LEU  14 -10.373   1.539  -1.033
  142   2HD1  LEU  14          2HD1      LEU  14 -11.579   1.699   0.243
  143   3HD1  LEU  14          3HD1      LEU  14  -9.936   2.289   0.503
  144   1HD2  LEU  14          1HD2      LEU  14 -11.062  -1.780   0.643
  145   2HD2  LEU  14          2HD2      LEU  14 -11.876  -0.555   1.616
  146   3HD2  LEU  14          3HD2      LEU  14 -12.031  -0.530  -0.141
  147    H    LYS  15           H        LYS  15  -7.030  -0.842  -1.923
  148    HA   LYS  15           HA       LYS  15  -6.678  -3.408  -2.782
  149   1HB   LYS  15          1HB       LYS  15  -5.138  -0.894  -3.199
  150   2HB   LYS  15          2HB       LYS  15  -4.388  -2.393  -3.749
  151   1HG   LYS  15          1HG       LYS  15  -5.849  -2.618  -5.467
  152   2HG   LYS  15          2HG       LYS  15  -7.230  -2.197  -4.453
  153   1HD   LYS  15          1HD       LYS  15  -7.174  -0.016  -5.079
  154   2HD   LYS  15          2HD       LYS  15  -5.415   0.058  -4.984
  155   1HE   LYS  15          1HE       LYS  15  -5.249  -1.119  -7.150
  156   2HE   LYS  15          2HE       LYS  15  -7.008  -1.179  -7.250
  157   1HZ   LYS  15          1HZ       LYS  15  -5.371   1.296  -7.103
  158   2HZ   LYS  15          2HZ       LYS  15  -6.105   0.679  -8.506
  159   3HZ   LYS  15          3HZ       LYS  15  -7.065   1.230  -7.221
  160    H    LYS  16           H        LYS  16  -4.835  -1.804  -0.287
  161    HA   LYS  16           HA       LYS  16  -2.594  -3.548  -0.192
  162   1HB   LYS  16          1HB       LYS  16  -2.017  -2.278   1.591
  163   2HB   LYS  16          2HB       LYS  16  -3.485  -1.358   1.276
  164   1HG   LYS  16          1HG       LYS  16  -4.727  -2.577   2.892
  165   2HG   LYS  16          2HG       LYS  16  -3.515  -3.855   2.980
  166   1HD   LYS  16          1HD       LYS  16  -3.143  -2.570   4.931
  167   2HD   LYS  16          2HD       LYS  16  -1.899  -2.024   3.804
  168   1HE   LYS  16          1HE       LYS  16  -4.131  -0.419   3.244
  169   2HE   LYS  16          2HE       LYS  16  -4.068  -0.512   5.004
  170   1HZ   LYS  16          1HZ       LYS  16  -1.477  -0.175   4.321
  171   2HZ   LYS  16          2HZ       LYS  16  -2.275   0.786   3.170
  172   3HZ   LYS  16          3HZ       LYS  16  -2.522   1.065   4.825
  173    H    LYS  17           H        LYS  17  -5.640  -3.691   1.676
  174    HA   LYS  17           HA       LYS  17  -5.001  -6.373   2.630
  175   1HB   LYS  17          1HB       LYS  17  -6.987  -4.305   3.215
  176   2HB   LYS  17          2HB       LYS  17  -7.663  -5.934   3.228
  177   1HG   LYS  17          1HG       LYS  17  -5.214  -6.192   4.555
  178   2HG   LYS  17          2HG       LYS  17  -5.877  -4.669   5.150
  179   1HD   LYS  17          1HD       LYS  17  -6.708  -6.436   6.574
  180   2HD   LYS  17          2HD       LYS  17  -8.050  -5.873   5.578
  181   1HE   LYS  17          1HE       LYS  17  -7.231  -7.770   3.936
  182   2HE   LYS  17          2HE       LYS  17  -6.504  -8.437   5.397
  183   1HZ   LYS  17          1HZ       LYS  17  -8.927  -7.828   6.294
  184   2HZ   LYS  17          2HZ       LYS  17  -9.303  -8.169   4.676
  185   3HZ   LYS  17          3HZ       LYS  17  -8.533  -9.343   5.633
  186    H    ILE  18           H        ILE  18  -7.423  -4.950   0.416
  187    HA   ILE  18           HA       ILE  18  -8.752  -7.347  -0.246
  188    HB   ILE  18           HB       ILE  18  -9.910  -5.527  -1.019
  189   1HG1  ILE  18          1HG1      ILE  18  -8.096  -6.231  -3.334
  190   2HG1  ILE  18          2HG1      ILE  18  -9.706  -6.872  -3.004
  191   1HG2  ILE  18          1HG2      ILE  18  -7.194  -4.362  -1.309
  192   2HG2  ILE  18          2HG2      ILE  18  -8.474  -3.669  -2.301
  193   3HG2  ILE  18          3HG2      ILE  18  -8.634  -3.689  -0.546
  194   1HD1  ILE  18          1HD1      ILE  18 -10.134  -4.141  -3.042
  195   2HD1  ILE  18          2HD1      ILE  18  -8.927  -4.360  -4.309
  196   3HD1  ILE  18          3HD1      ILE  18 -10.457  -5.235  -4.387
  197    H    LYS  19           H        LYS  19  -6.135  -5.673  -2.033
  198    HA   LYS  19           HA       LYS  19  -5.763  -7.652  -4.014
  199   1HB   LYS  19          1HB       LYS  19  -4.626  -5.291  -3.652
  200   2HB   LYS  19          2HB       LYS  19  -3.375  -6.252  -2.864
  201   1HG   LYS  19          1HG       LYS  19  -4.434  -6.964  -5.601
  202   2HG   LYS  19          2HG       LYS  19  -3.098  -5.833  -5.388
  203   1HD   LYS  19          1HD       LYS  19  -2.069  -7.709  -3.891
  204   2HD   LYS  19          2HD       LYS  19  -3.207  -8.765  -4.727
  205   1HE   LYS  19          1HE       LYS  19  -1.367  -6.905  -6.234
  206   2HE   LYS  19          2HE       LYS  19  -0.868  -8.532  -5.771
  207   1HZ   LYS  19          1HZ       LYS  19  -2.922  -9.342  -6.893
  208   2HZ   LYS  19          2HZ       LYS  19  -3.163  -7.772  -7.490
  209   3HZ   LYS  19          3HZ       LYS  19  -1.780  -8.649  -7.942
  210    H    LYS  20           H        LYS  20  -4.727  -7.552  -0.668
  211    HA   LYS  20           HA       LYS  20  -2.831  -9.705  -0.835
  212   1HB   LYS  20          1HB       LYS  20  -3.201  -7.964   1.070
  213   2HB   LYS  20          2HB       LYS  20  -4.433  -9.091   1.639
  214   1HG   LYS  20          1HG       LYS  20  -2.296 -10.759   1.103
  215   2HG   LYS  20          2HG       LYS  20  -1.511  -9.316   1.748
  216   1HD   LYS  20          1HD       LYS  20  -3.819 -10.768   3.077
  217   2HD   LYS  20          2HD       LYS  20  -2.124 -10.933   3.539
  218   1HE   LYS  20          1HE       LYS  20  -3.502  -8.246   3.446
  219   2HE   LYS  20          2HE       LYS  20  -3.513  -9.255   4.893
  220   1HZ   LYS  20          1HZ       LYS  20  -1.068  -9.298   4.780
  221   2HZ   LYS  20          2HZ       LYS  20  -1.122  -8.214   3.472
  222   3HZ   LYS  20          3HZ       LYS  20  -1.684  -7.734   5.002
  223    H    LEU  21           H        LEU  21  -6.310  -9.556  -0.128
  224    HA   LEU  21           HA       LEU  21  -6.598 -12.322   0.537
  225   1HB   LEU  21          1HB       LEU  21  -8.827 -11.848   0.734
  226   2HB   LEU  21          2HB       LEU  21  -8.248 -10.186   0.674
  227    HG   LEU  21           HG       LEU  21  -8.516 -10.411  -1.898
  228   1HD1  LEU  21          1HD1      LEU  21  -9.344 -13.006  -1.033
  229   2HD1  LEU  21          2HD1      LEU  21 -10.751 -12.182  -1.704
  230   3HD1  LEU  21          3HD1      LEU  21  -9.293 -12.375  -2.678
  231   1HD2  LEU  21          1HD2      LEU  21 -10.943 -10.413  -0.080
  232   2HD2  LEU  21          2HD2      LEU  21  -9.948  -9.008  -0.462
  233   3HD2  LEU  21          3HD2      LEU  21 -10.898  -9.785  -1.728
  234    H    GLU  22           H        GLU  22  -6.861 -10.562  -2.528
  235    HA   GLU  22           HA       GLU  22  -7.460 -13.026  -3.988
  236   1HB   GLU  22          1HB       GLU  22  -7.247 -11.451  -5.999
  237   2HB   GLU  22          2HB       GLU  22  -8.547 -11.096  -4.862
  238   1HG   GLU  22          1HG       GLU  22  -7.305  -9.328  -3.843
  239   2HG   GLU  22          2HG       GLU  22  -5.816  -9.818  -4.652
  240    H    GLU  23           H        GLU  23  -4.724 -11.897  -2.640
  241    HA   GLU  23           HA       GLU  23  -2.841 -12.104  -4.810
  242   1HB   GLU  23          1HB       GLU  23  -2.320 -10.896  -2.713
  243   2HB   GLU  23          2HB       GLU  23  -2.395 -12.421  -1.827
  244   1HG   GLU  23          1HG       GLU  23  -0.486 -13.289  -2.954
  245   2HG   GLU  23          2HG       GLU  23  -0.544 -12.027  -4.184
  246    H    ASP  24           H        ASP  24  -3.149 -14.257  -1.970
  247    HA   ASP  24           HA       ASP  24  -2.997 -16.595  -1.828
  248   1HB   ASP  24          1HB       ASP  24  -4.613 -16.147  -3.960
  249   2HB   ASP  24          2HB       ASP  24  -3.279 -16.983  -4.757
  250    H    ASN  25           H        ASN  25  -1.663 -15.909  -5.082
  251    HA   ASN  25           HA       ASN  25   0.522 -17.682  -4.885
  252   1HB   ASN  25          1HB       ASN  25  -0.132 -15.294  -6.538
  253   2HB   ASN  25          2HB       ASN  25   1.562 -15.784  -6.497
  254   1HD2  ASN  25          2HD2      ASN  25  -1.562 -16.569  -7.793
  255   2HD2  ASN  25          1HD2      ASN  25  -1.107 -18.001  -8.582
  256    HA   PRO  26           HA       PRO  26   3.143 -15.647  -1.992
  257   1HB   PRO  26          1HB       PRO  26   5.421 -17.084  -2.549
  258   2HB   PRO  26          2HB       PRO  26   4.065 -17.724  -1.603
  259   1HG   PRO  26          1HG       PRO  26   4.852 -18.344  -4.414
  260   2HG   PRO  26          2HG       PRO  26   3.969 -19.345  -3.249
  261   1HD   PRO  26          1HD       PRO  26   2.821 -17.891  -5.388
  262   2HD   PRO  26          2HD       PRO  26   1.939 -18.614  -4.027
  263    H    TRP  27           H        TRP  27   5.262 -16.463  -4.744
  264    HA   TRP  27           HA       TRP  27   6.376 -13.745  -4.697
  265   1HB   TRP  27          1HB       TRP  27   7.417 -16.217  -5.331
  266   2HB   TRP  27          2HB       TRP  27   7.155 -15.506  -6.923
  267    HD1  TRP  27           HD1      TRP  27   8.209 -12.955  -7.243
  268    HE1  TRP  27           HE1      TRP  27  10.439 -12.021  -6.350
  269    HE3  TRP  27           HE3      TRP  27   9.146 -16.320  -3.520
  270    HZ2  TRP  27           HZ2      TRP  27  12.365 -12.618  -4.321
  271    HZ3  TRP  27           HZ3      TRP  27  11.182 -16.114  -2.122
  272    HH2  TRP  27           HH2      TRP  27  12.791 -14.269  -2.519
  Start of MODEL   13
    1   1H    ARG   1          1H        ARG   1  -4.548  23.218   0.280
    2   2H    ARG   1          2H        ARG   1  -5.262  23.792   1.708
    3   3H    ARG   1          3H        ARG   1  -3.865  22.826   1.786
    4    HA   ARG   1           HA       ARG   1  -5.793  21.521   2.374
    5   1HB   ARG   1          1HB       ARG   1  -6.794  22.791  -0.129
    6   2HB   ARG   1          2HB       ARG   1  -7.280  21.121   0.167
    7   1HG   ARG   1          1HG       ARG   1  -8.932  22.077   1.409
    8   2HG   ARG   1          2HG       ARG   1  -7.674  22.212   2.635
    9   1HD   ARG   1          1HD       ARG   1  -8.875  24.370   2.231
   10   2HD   ARG   1          2HD       ARG   1  -7.145  24.475   1.912
   11    HE   ARG   1           HE       ARG   1  -8.801  23.844  -0.433
   12   1HH1  ARG   1          1HH1      ARG   1  -6.094  25.453   0.279
   13   2HH1  ARG   1          2HH1      ARG   1  -6.529  26.976  -0.422
   14   1HH2  ARG   1          1HH2      ARG   1  -9.872  26.144  -0.813
   15   2HH2  ARG   1          2HH2      ARG   1  -8.667  27.366  -1.040
   16    H    LYS   2           H        LYS   2  -4.046  20.023   2.355
   17    HA   LYS   2           HA       LYS   2  -3.201  18.927  -0.255
   18   1HB   LYS   2          1HB       LYS   2  -1.898  17.360   1.501
   19   2HB   LYS   2          2HB       LYS   2  -1.301  18.953   1.041
   20   1HG   LYS   2          1HG       LYS   2  -2.233  19.963   3.011
   21   2HG   LYS   2          2HG       LYS   2  -3.136  18.500   3.407
   22   1HD   LYS   2          1HD       LYS   2  -0.274  17.987   3.094
   23   2HD   LYS   2          2HD       LYS   2  -0.611  19.160   4.370
   24   1HE   LYS   2          1HE       LYS   2  -1.430  17.558   5.726
   25   2HE   LYS   2          2HE       LYS   2  -2.501  16.958   4.459
   26   1HZ   LYS   2          1HZ       LYS   2   0.293  16.346   4.063
   27   2HZ   LYS   2          2HZ       LYS   2  -0.389  15.615   5.432
   28   3HZ   LYS   2          3HZ       LYS   2  -1.073  15.349   3.901
   29    H    LYS   3           H        LYS   3  -5.927  18.501   0.361
   30    HA   LYS   3           HA       LYS   3  -6.200  15.813   1.408
   31   1HB   LYS   3          1HB       LYS   3  -8.493  16.203   1.388
   32   2HB   LYS   3          2HB       LYS   3  -7.878  17.850   1.516
   33   1HG   LYS   3          1HG       LYS   3  -8.609  16.477  -1.089
   34   2HG   LYS   3          2HG       LYS   3  -9.631  17.637  -0.240
   35   1HD   LYS   3          1HD       LYS   3  -7.524  19.184  -0.343
   36   2HD   LYS   3          2HD       LYS   3  -7.007  18.102  -1.637
   37   1HE   LYS   3          1HE       LYS   3  -9.211  18.495  -2.768
   38   2HE   LYS   3          2HE       LYS   3  -9.586  19.691  -1.528
   39   1HZ   LYS   3          1HZ       LYS   3  -7.088  19.848  -3.090
   40   2HZ   LYS   3          2HZ       LYS   3  -8.538  20.495  -3.696
   41   3HZ   LYS   3          3HZ       LYS   3  -7.891  21.081  -2.242
   42    H    LEU   4           H        LEU   4  -4.789  16.618  -1.194
   43    HA   LEU   4           HA       LEU   4  -6.280  15.010  -3.145
   44   1HB   LEU   4          1HB       LEU   4  -5.153  17.102  -3.881
   45   2HB   LEU   4          2HB       LEU   4  -3.601  16.401  -3.421
   46    HG   LEU   4           HG       LEU   4  -4.329  16.217  -5.906
   47   1HD1  LEU   4          1HD1      LEU   4  -2.711  14.682  -4.272
   48   2HD1  LEU   4          2HD1      LEU   4  -3.750  13.476  -5.031
   49   3HD1  LEU   4          3HD1      LEU   4  -2.787  14.563  -6.030
   50   1HD2  LEU   4          1HD2      LEU   4  -6.647  15.427  -5.313
   51   2HD2  LEU   4          2HD2      LEU   4  -5.801  14.358  -6.430
   52   3HD2  LEU   4          3HD2      LEU   4  -5.932  13.927  -4.724
   53    H    GLU   5           H        GLU   5  -2.865  15.053  -2.082
   54    HA   GLU   5           HA       GLU   5  -2.412  12.319  -2.789
   55   1HB   GLU   5          1HB       GLU   5  -0.946  14.088  -0.811
   56   2HB   GLU   5          2HB       GLU   5  -0.317  12.610  -1.540
   57   1HG   GLU   5          1HG       GLU   5  -1.230  14.987  -3.173
   58   2HG   GLU   5          2HG       GLU   5   0.441  14.772  -2.646
   59    H    GLU   6           H        GLU   6  -3.679  13.955   0.012
   60    HA   GLU   6           HA       GLU   6  -3.318  12.038   2.036
   61   1HB   GLU   6          1HB       GLU   6  -4.993  14.341   1.563
   62   2HB   GLU   6          2HB       GLU   6  -5.950  13.061   2.310
   63   1HG   GLU   6          1HG       GLU   6  -3.223  13.759   3.381
   64   2HG   GLU   6          2HG       GLU   6  -4.644  14.687   3.864
   65    H    LEU   7           H        LEU   7  -6.274  12.358   0.017
   66    HA   LEU   7           HA       LEU   7  -7.288   9.805   0.777
   67   1HB   LEU   7          1HB       LEU   7  -8.127  11.957  -0.868
   68   2HB   LEU   7          2HB       LEU   7  -8.178  10.501  -1.862
   69    HG   LEU   7           HG       LEU   7  -9.607  11.053   0.729
   70   1HD1  LEU   7          1HD1      LEU   7 -10.274  10.656  -2.103
   71   2HD1  LEU   7          2HD1      LEU   7 -11.258   9.683  -1.008
   72   3HD1  LEU   7          3HD1      LEU   7 -11.209  11.437  -0.829
   73   1HD2  LEU   7          1HD2      LEU   7  -8.545   8.486  -0.303
   74   2HD2  LEU   7          2HD2      LEU   7  -9.017   8.929   1.339
   75   3HD2  LEU   7          3HD2      LEU   7 -10.246   8.457   0.164
   76    H    GLU   8           H        GLU   8  -5.435  10.846  -2.096
   77    HA   GLU   8           HA       GLU   8  -5.388   8.528  -3.601
   78   1HB   GLU   8          1HB       GLU   8  -3.572  10.764  -3.189
   79   2HB   GLU   8          2HB       GLU   8  -2.679   9.272  -3.492
   80   1HG   GLU   8          1HG       GLU   8  -4.580   9.014  -5.380
   81   2HG   GLU   8          2HG       GLU   8  -4.526  10.775  -5.282
   82    H    ARG   9           H        ARG   9  -3.996   9.062  -0.455
   83    HA   ARG   9           HA       ARG   9  -2.436   6.616  -0.439
   84   1HB   ARG   9          1HB       ARG   9  -3.185   8.710   1.570
   85   2HB   ARG   9          2HB       ARG   9  -2.587   7.153   2.148
   86   1HG   ARG   9          1HG       ARG   9  -0.526   7.397   0.936
   87   2HG   ARG   9          2HG       ARG   9  -1.140   8.800   0.060
   88   1HD   ARG   9          1HD       ARG   9  -1.387   9.265   2.889
   89   2HD   ARG   9          2HD       ARG   9   0.269   8.786   2.520
   90    HE   ARG   9           HE       ARG   9  -0.404  10.688   0.580
   91   1HH1  ARG   9          1HH1      ARG   9  -1.815  11.367   3.383
   92   2HH1  ARG   9          2HH1      ARG   9  -0.757  12.639   3.893
   93   1HH2  ARG   9          1HH2      ARG   9   1.657  11.946   1.499
   94   2HH2  ARG   9          2HH2      ARG   9   1.212  12.967   2.826
   95    H    ASP  10           H        ASP  10  -5.560   7.692   0.901
   96    HA   ASP  10           HA       ASP  10  -6.235   5.284   2.239
   97   1HB   ASP  10          1HB       ASP  10  -7.520   7.731   1.618
   98   2HB   ASP  10          2HB       ASP  10  -8.574   6.449   1.022
   99    H    LEU  11           H        LEU  11  -5.987   5.964  -1.132
  100    HA   LEU  11           HA       LEU  11  -7.822   3.908  -2.017
  101   1HB   LEU  11          1HB       LEU  11  -7.248   4.562  -4.163
  102   2HB   LEU  11          2HB       LEU  11  -6.804   6.018  -3.276
  103    HG   LEU  11           HG       LEU  11  -4.473   4.860  -3.032
  104   1HD1  LEU  11          1HD1      LEU  11  -5.804   2.832  -4.364
  105   2HD1  LEU  11          2HD1      LEU  11  -4.913   3.631  -5.660
  106   3HD1  LEU  11          3HD1      LEU  11  -4.050   3.001  -4.256
  107   1HD2  LEU  11          1HD2      LEU  11  -5.352   6.833  -4.584
  108   2HD2  LEU  11          2HD2      LEU  11  -3.735   6.160  -4.804
  109   3HD2  LEU  11          3HD2      LEU  11  -5.054   5.653  -5.859
  110    H    ARG  12           H        ARG  12  -4.372   4.150  -1.371
  111    HA   ARG  12           HA       ARG  12  -3.702   1.533  -2.372
  112   1HB   ARG  12          1HB       ARG  12  -1.583   2.198  -1.916
  113   2HB   ARG  12          2HB       ARG  12  -2.294   3.760  -1.518
  114   1HG   ARG  12          1HG       ARG  12  -2.667   2.793   0.841
  115   2HG   ARG  12          2HG       ARG  12  -1.548   1.517   0.361
  116   1HD   ARG  12          1HD       ARG  12  -0.991   4.493   0.449
  117   2HD   ARG  12          2HD       ARG  12  -0.266   3.247   1.464
  118    HE   ARG  12           HE       ARG  12   0.162   3.129  -1.481
  119   1HH1  ARG  12          1HH1      ARG  12   1.637   1.302   0.341
  120   2HH1  ARG  12          2HH1      ARG  12   3.151   2.118   0.547
  121   1HH2  ARG  12          1HH2      ARG  12   1.968   5.165  -0.612
  122   2HH2  ARG  12          2HH2      ARG  12   3.339   4.306   0.009
  123    H    LYS  13           H        LYS  13  -4.739   2.824   0.736
  124    HA   LYS  13           HA       LYS  13  -4.120   0.634   2.404
  125   1HB   LYS  13          1HB       LYS  13  -5.520   3.031   2.666
  126   2HB   LYS  13          2HB       LYS  13  -6.732   1.793   2.998
  127   1HG   LYS  13          1HG       LYS  13  -5.732   1.164   4.941
  128   2HG   LYS  13          2HG       LYS  13  -4.112   1.291   4.253
  129   1HD   LYS  13          1HD       LYS  13  -4.204   3.743   4.460
  130   2HD   LYS  13          2HD       LYS  13  -5.831   3.628   5.134
  131   1HE   LYS  13          1HE       LYS  13  -4.930   3.366   7.177
  132   2HE   LYS  13          2HE       LYS  13  -4.209   1.852   6.633
  133   1HZ   LYS  13          1HZ       LYS  13  -2.531   3.589   5.551
  134   2HZ   LYS  13          2HZ       LYS  13  -3.013   4.489   6.908
  135   3HZ   LYS  13          3HZ       LYS  13  -2.316   2.951   7.107
  136    H    LEU  14           H        LEU  14  -6.687   1.025   0.036
  137    HA   LEU  14           HA       LEU  14  -8.255  -1.214   0.943
  138   1HB   LEU  14          1HB       LEU  14  -8.326   0.700  -1.240
  139   2HB   LEU  14          2HB       LEU  14  -8.677  -0.927  -1.820
  140    HG   LEU  14           HG       LEU  14 -10.000   0.149   0.666
  141   1HD1  LEU  14          1HD1      LEU  14 -10.262   1.382  -1.795
  142   2HD1  LEU  14          2HD1      LEU  14 -11.595   0.225  -1.799
  143   3HD1  LEU  14          3HD1      LEU  14 -11.467   1.419  -0.507
  144   1HD2  LEU  14          1HD2      LEU  14  -9.999  -2.311  -0.732
  145   2HD2  LEU  14          2HD2      LEU  14 -11.045  -1.846   0.610
  146   3HD2  LEU  14          3HD2      LEU  14 -11.565  -1.566  -1.052
  147    H    LYS  15           H        LYS  15  -6.355  -0.906  -2.059
  148    HA   LYS  15           HA       LYS  15  -6.169  -3.533  -2.838
  149   1HB   LYS  15          1HB       LYS  15  -4.636  -1.162  -3.288
  150   2HB   LYS  15          2HB       LYS  15  -3.512  -2.493  -3.016
  151   1HG   LYS  15          1HG       LYS  15  -3.871  -2.859  -5.249
  152   2HG   LYS  15          2HG       LYS  15  -5.280  -3.730  -4.642
  153   1HD   LYS  15          1HD       LYS  15  -6.323  -1.250  -4.728
  154   2HD   LYS  15          2HD       LYS  15  -5.129  -1.095  -6.018
  155   1HE   LYS  15          1HE       LYS  15  -6.155  -2.686  -7.348
  156   2HE   LYS  15          2HE       LYS  15  -6.842  -3.546  -5.971
  157   1HZ   LYS  15          1HZ       LYS  15  -7.779  -0.831  -6.315
  158   2HZ   LYS  15          2HZ       LYS  15  -8.227  -1.897  -7.557
  159   3HZ   LYS  15          3HZ       LYS  15  -8.647  -2.244  -5.947
  160    H    LYS  16           H        LYS  16  -4.705  -2.098  -0.017
  161    HA   LYS  16           HA       LYS  16  -2.716  -4.035   0.546
  162   1HB   LYS  16          1HB       LYS  16  -4.043  -1.897   1.951
  163   2HB   LYS  16          2HB       LYS  16  -3.907  -3.302   3.008
  164   1HG   LYS  16          1HG       LYS  16  -1.462  -2.925   1.504
  165   2HG   LYS  16          2HG       LYS  16  -1.877  -1.456   2.389
  166   1HD   LYS  16          1HD       LYS  16  -0.834  -2.524   4.119
  167   2HD   LYS  16          2HD       LYS  16  -2.398  -3.323   4.291
  168   1HE   LYS  16          1HE       LYS  16  -0.500  -4.943   4.241
  169   2HE   LYS  16          2HE       LYS  16  -1.638  -5.191   2.915
  170   1HZ   LYS  16          1HZ       LYS  16   0.603  -3.371   2.457
  171   2HZ   LYS  16          2HZ       LYS  16   0.946  -5.035   2.514
  172   3HZ   LYS  16          3HZ       LYS  16  -0.166  -4.438   1.383
  173    H    LYS  17           H        LYS  17  -6.110  -3.928   1.656
  174    HA   LYS  17           HA       LYS  17  -5.912  -6.684   2.621
  175   1HB   LYS  17          1HB       LYS  17  -7.828  -4.451   2.878
  176   2HB   LYS  17          2HB       LYS  17  -8.548  -6.061   2.855
  177   1HG   LYS  17          1HG       LYS  17  -6.483  -6.519   4.537
  178   2HG   LYS  17          2HG       LYS  17  -6.767  -4.813   4.879
  179   1HD   LYS  17          1HD       LYS  17  -9.327  -5.920   4.777
  180   2HD   LYS  17          2HD       LYS  17  -8.366  -7.129   5.627
  181   1HE   LYS  17          1HE       LYS  17  -9.155  -5.632   7.314
  182   2HE   LYS  17          2HE       LYS  17  -7.463  -5.210   7.052
  183   1HZ   LYS  17          1HZ       LYS  17  -9.419  -3.850   5.379
  184   2HZ   LYS  17          2HZ       LYS  17  -9.410  -3.425   7.024
  185   3HZ   LYS  17          3HZ       LYS  17  -7.999  -3.254   6.097
  186    H    ILE  18           H        ILE  18  -7.780  -4.942   0.106
  187    HA   ILE  18           HA       ILE  18  -9.207  -7.141  -0.896
  188    HB   ILE  18           HB       ILE  18  -9.955  -5.195  -1.841
  189   1HG1  ILE  18          1HG1      ILE  18  -7.791  -6.083  -3.755
  190   2HG1  ILE  18          2HG1      ILE  18  -9.493  -6.550  -3.779
  191   1HG2  ILE  18          1HG2      ILE  18  -7.116  -4.368  -1.540
  192   2HG2  ILE  18          2HG2      ILE  18  -8.086  -3.511  -2.737
  193   3HG2  ILE  18          3HG2      ILE  18  -8.589  -3.534  -1.048
  194   1HD1  ILE  18          1HD1      ILE  18 -10.003  -4.044  -4.045
  195   2HD1  ILE  18          2HD1      ILE  18  -8.287  -3.849  -4.400
  196   3HD1  ILE  18          3HD1      ILE  18  -9.294  -4.853  -5.442
  197    H    LYS  19           H        LYS  19  -6.045  -5.852  -1.973
  198    HA   LYS  19           HA       LYS  19  -5.580  -7.913  -3.896
  199   1HB   LYS  19          1HB       LYS  19  -3.533  -6.918  -4.214
  200   2HB   LYS  19          2HB       LYS  19  -4.313  -5.607  -3.333
  201   1HG   LYS  19          1HG       LYS  19  -3.401  -6.592  -1.201
  202   2HG   LYS  19          2HG       LYS  19  -2.496  -7.744  -2.182
  203   1HD   LYS  19          1HD       LYS  19  -1.687  -5.554  -3.432
  204   2HD   LYS  19          2HD       LYS  19  -2.114  -4.786  -1.903
  205   1HE   LYS  19          1HE       LYS  19  -0.225  -7.135  -2.238
  206   2HE   LYS  19          2HE       LYS  19   0.247  -5.474  -1.882
  207   1HZ   LYS  19          1HZ       LYS  19  -1.696  -6.191  -0.032
  208   2HZ   LYS  19          2HZ       LYS  19  -0.596  -7.484  -0.101
  209   3HZ   LYS  19          3HZ       LYS  19  -0.047  -5.915   0.252
  210    H    LYS  20           H        LYS  20  -5.210  -7.774  -0.439
  211    HA   LYS  20           HA       LYS  20  -3.398  -9.965  -0.126
  212   1HB   LYS  20          1HB       LYS  20  -4.247  -8.202   1.614
  213   2HB   LYS  20          2HB       LYS  20  -5.558  -9.351   1.873
  214   1HG   LYS  20          1HG       LYS  20  -2.713 -10.317   1.886
  215   2HG   LYS  20          2HG       LYS  20  -3.379  -9.544   3.323
  216   1HD   LYS  20          1HD       LYS  20  -4.657 -11.896   1.898
  217   2HD   LYS  20          2HD       LYS  20  -3.656 -12.028   3.344
  218   1HE   LYS  20          1HE       LYS  20  -5.328 -11.322   4.699
  219   2HE   LYS  20          2HE       LYS  20  -5.786 -10.026   3.595
  220   1HZ   LYS  20          1HZ       LYS  20  -6.795 -11.814   2.174
  221   2HZ   LYS  20          2HZ       LYS  20  -6.579 -12.878   3.478
  222   3HZ   LYS  20          3HZ       LYS  20  -7.585 -11.519   3.649
  223    H    LEU  21           H        LEU  21  -6.967  -9.810  -0.109
  224    HA   LEU  21           HA       LEU  21  -7.378 -12.587   0.369
  225   1HB   LEU  21          1HB       LEU  21  -9.626 -12.158  -0.039
  226   2HB   LEU  21          2HB       LEU  21  -9.042 -10.547   0.368
  227    HG   LEU  21           HG       LEU  21  -8.617 -10.314  -2.194
  228   1HD1  LEU  21          1HD1      LEU  21  -9.672 -12.945  -2.069
  229   2HD1  LEU  21          2HD1      LEU  21 -10.911 -11.940  -2.819
  230   3HD1  LEU  21          3HD1      LEU  21  -9.292 -12.010  -3.515
  231   1HD2  LEU  21          1HD2      LEU  21 -11.401 -10.393  -0.994
  232   2HD2  LEU  21          2HD2      LEU  21 -10.300  -9.017  -0.991
  233   3HD2  LEU  21          3HD2      LEU  21 -10.989  -9.591  -2.509
  234    H    GLU  22           H        GLU  22  -6.950 -10.743  -2.611
  235    HA   GLU  22           HA       GLU  22  -7.458 -12.996  -4.349
  236   1HB   GLU  22          1HB       GLU  22  -6.279 -10.253  -4.739
  237   2HB   GLU  22          2HB       GLU  22  -6.242 -11.442  -6.041
  238   1HG   GLU  22          1HG       GLU  22  -8.808 -11.711  -5.428
  239   2HG   GLU  22          2HG       GLU  22  -8.597 -10.082  -4.783
  240    H    GLU  23           H        GLU  23  -4.923 -12.351  -2.278
  241    HA   GLU  23           HA       GLU  23  -2.617 -12.969  -3.805
  242   1HB   GLU  23          1HB       GLU  23  -3.361 -13.171  -0.920
  243   2HB   GLU  23          2HB       GLU  23  -1.912 -14.019  -1.457
  244   1HG   GLU  23          1HG       GLU  23  -2.258 -11.212  -2.396
  245   2HG   GLU  23          2HG       GLU  23  -1.853 -11.444  -0.696
  246    H    ASP  24           H        ASP  24  -5.178 -15.028  -2.591
  247    HA   ASP  24           HA       ASP  24  -3.991 -17.544  -2.530
  248   1HB   ASP  24          1HB       ASP  24  -6.347 -17.308  -2.042
  249   2HB   ASP  24          2HB       ASP  24  -6.680 -16.755  -3.683
  250    H    ASN  25           H        ASN  25  -5.551 -16.202  -5.468
  251    HA   ASN  25           HA       ASN  25  -4.599 -18.102  -7.293
  252   1HB   ASN  25          1HB       ASN  25  -5.760 -15.467  -7.423
  253   2HB   ASN  25          2HB       ASN  25  -4.466 -15.599  -8.614
  254   1HD2  ASN  25          2HD2      ASN  25  -6.764 -15.434  -9.902
  255   2HD2  ASN  25          1HD2      ASN  25  -7.384 -16.939 -10.382
  256    HA   PRO  26           HA       PRO  26  -0.320 -17.339  -7.840
  257   1HB   PRO  26          1HB       PRO  26  -0.047 -17.528 -10.570
  258   2HB   PRO  26          2HB       PRO  26  -0.334 -18.921  -9.514
  259   1HG   PRO  26          1HG       PRO  26  -2.230 -17.542 -11.356
  260   2HG   PRO  26          2HG       PRO  26  -2.236 -19.221 -10.792
  261   1HD   PRO  26          1HD       PRO  26  -3.887 -17.138  -9.816
  262   2HD   PRO  26          2HD       PRO  26  -3.641 -18.722  -9.049
  263    H    TRP  27           H        TRP  27  -1.270 -15.872 -10.922
  264    HA   TRP  27           HA       TRP  27  -0.812 -13.147  -9.907
  265   1HB   TRP  27          1HB       TRP  27   1.384 -14.568 -10.821
  266   2HB   TRP  27          2HB       TRP  27   0.882 -13.657 -12.245
  267    HD1  TRP  27           HD1      TRP  27   0.627 -12.522  -8.573
  268    HE1  TRP  27           HE1      TRP  27   1.968 -10.336  -8.306
  269    HE3  TRP  27           HE3      TRP  27   2.649 -12.150 -13.248
  270    HZ2  TRP  27           HZ2      TRP  27   3.673  -8.654  -9.869
  271    HZ3  TRP  27           HZ3      TRP  27   4.126 -10.247 -13.831
  272    HH2  TRP  27           HH2      TRP  27   4.640  -8.500 -12.149
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1  -3.415  21.954   2.494
    2   2H    ARG   1          2H        ARG   1  -4.190  23.076   1.480
    3   3H    ARG   1          3H        ARG   1  -4.580  23.009   3.132
    4    HA   ARG   1           HA       ARG   1  -5.720  21.007   2.932
    5   1HB   ARG   1          1HB       ARG   1  -6.170  22.737   0.487
    6   2HB   ARG   1          2HB       ARG   1  -7.229  21.396   0.924
    7   1HG   ARG   1          1HG       ARG   1  -7.491  22.480   3.202
    8   2HG   ARG   1          2HG       ARG   1  -6.654  23.888   2.547
    9   1HD   ARG   1          1HD       ARG   1  -8.424  24.491   1.213
   10   2HD   ARG   1          2HD       ARG   1  -8.925  22.823   0.944
   11    HE   ARG   1           HE       ARG   1 -10.017  22.871   3.151
   12   1HH1  ARG   1          1HH1      ARG   1  -8.155  25.644   3.019
   13   2HH1  ARG   1          2HH1      ARG   1  -9.398  26.725   3.556
   14   1HH2  ARG   1          1HH2      ARG   1 -11.913  24.342   3.374
   15   2HH2  ARG   1          2HH2      ARG   1 -11.526  25.988   3.757
   16    H    LYS   2           H        LYS   2  -3.642  19.660   2.551
   17    HA   LYS   2           HA       LYS   2  -3.208  18.804  -0.228
   18   1HB   LYS   2          1HB       LYS   2  -2.070  17.692   2.354
   19   2HB   LYS   2          2HB       LYS   2  -1.491  17.342   0.723
   20   1HG   LYS   2          1HG       LYS   2  -1.678  20.217   1.353
   21   2HG   LYS   2          2HG       LYS   2  -0.494  19.337   2.319
   22   1HD   LYS   2          1HD       LYS   2   0.777  18.735   0.464
   23   2HD   LYS   2          2HD       LYS   2  -0.589  18.872  -0.642
   24   1HE   LYS   2          1HE       LYS   2  -0.547  21.391  -0.092
   25   2HE   LYS   2          2HE       LYS   2   1.054  21.087   0.581
   26   1HZ   LYS   2          1HZ       LYS   2   0.272  20.271  -2.157
   27   2HZ   LYS   2          2HZ       LYS   2   0.999  21.766  -1.813
   28   3HZ   LYS   2          3HZ       LYS   2   1.832  20.321  -1.495
   29    H    LYS   3           H        LYS   3  -5.793  18.274   0.158
   30    HA   LYS   3           HA       LYS   3  -6.128  15.584   1.222
   31   1HB   LYS   3          1HB       LYS   3  -7.981  17.643   0.056
   32   2HB   LYS   3          2HB       LYS   3  -8.523  15.979   0.287
   33   1HG   LYS   3          1HG       LYS   3  -9.138  17.021   2.307
   34   2HG   LYS   3          2HG       LYS   3  -7.599  16.257   2.705
   35   1HD   LYS   3          1HD       LYS   3  -7.018  18.817   1.597
   36   2HD   LYS   3          2HD       LYS   3  -8.276  19.040   2.813
   37   1HE   LYS   3          1HE       LYS   3  -5.702  17.504   3.270
   38   2HE   LYS   3          2HE       LYS   3  -5.976  19.171   3.776
   39   1HZ   LYS   3          1HZ       LYS   3  -7.917  18.361   5.049
   40   2HZ   LYS   3          2HZ       LYS   3  -7.471  16.767   4.666
   41   3HZ   LYS   3          3HZ       LYS   3  -6.439  17.732   5.604
   42    H    LEU   4           H        LEU   4  -4.556  16.393  -1.256
   43    HA   LEU   4           HA       LEU   4  -5.928  14.851  -3.344
   44   1HB   LEU   4          1HB       LEU   4  -4.657  16.968  -3.871
   45   2HB   LEU   4          2HB       LEU   4  -3.177  16.116  -3.431
   46    HG   LEU   4           HG       LEU   4  -3.752  16.124  -5.918
   47   1HD1  LEU   4          1HD1      LEU   4  -2.484  14.277  -4.369
   48   2HD1  LEU   4          2HD1      LEU   4  -3.735  13.276  -5.108
   49   3HD1  LEU   4          3HD1      LEU   4  -2.601  14.164  -6.126
   50   1HD2  LEU   4          1HD2      LEU   4  -6.246  15.631  -5.282
   51   2HD2  LEU   4          2HD2      LEU   4  -5.562  14.856  -6.711
   52   3HD2  LEU   4          3HD2      LEU   4  -5.712  13.953  -5.204
   53    H    GLU   5           H        GLU   5  -2.607  14.826  -2.034
   54    HA   GLU   5           HA       GLU   5  -2.164  12.077  -2.721
   55   1HB   GLU   5          1HB       GLU   5  -0.760  13.923  -0.769
   56   2HB   GLU   5          2HB       GLU   5  -0.147  12.347  -1.273
   57   1HG   GLU   5          1HG       GLU   5  -0.901  13.991  -3.555
   58   2HG   GLU   5          2HG       GLU   5   0.320  14.780  -2.556
   59    H    GLU   6           H        GLU   6  -3.463  13.771   0.050
   60    HA   GLU   6           HA       GLU   6  -3.230  11.808   2.058
   61   1HB   GLU   6          1HB       GLU   6  -4.755  14.207   1.619
   62   2HB   GLU   6          2HB       GLU   6  -5.816  12.967   2.289
   63   1HG   GLU   6          1HG       GLU   6  -3.286  12.869   3.649
   64   2HG   GLU   6          2HG       GLU   6  -3.888  14.527   3.673
   65    H    LEU   7           H        LEU   7  -6.135  12.324   0.010
   66    HA   LEU   7           HA       LEU   7  -7.351   9.855   0.714
   67   1HB   LEU   7          1HB       LEU   7  -7.703  11.847  -1.486
   68   2HB   LEU   7          2HB       LEU   7  -8.490  10.277  -1.645
   69    HG   LEU   7           HG       LEU   7  -9.752  12.233  -0.435
   70   1HD1  LEU   7          1HD1      LEU   7  -9.609   9.336   0.044
   71   2HD1  LEU   7          2HD1      LEU   7 -10.316  10.236   1.385
   72   3HD1  LEU   7          3HD1      LEU   7 -11.019  10.360  -0.227
   73   1HD2  LEU   7          1HD2      LEU   7  -7.698  12.571   1.086
   74   2HD2  LEU   7          2HD2      LEU   7  -9.274  12.514   1.878
   75   3HD2  LEU   7          3HD2      LEU   7  -8.218  11.101   1.910
   76    H    GLU   8           H        GLU   8  -5.373  10.714  -2.151
   77    HA   GLU   8           HA       GLU   8  -5.446   8.342  -3.576
   78   1HB   GLU   8          1HB       GLU   8  -2.940   9.926  -2.913
   79   2HB   GLU   8          2HB       GLU   8  -3.107   8.787  -4.250
   80   1HG   GLU   8          1HG       GLU   8  -5.270  10.729  -4.251
   81   2HG   GLU   8          2HG       GLU   8  -3.698  11.526  -4.316
   82    H    ARG   9           H        ARG   9  -4.018   8.913  -0.447
   83    HA   ARG   9           HA       ARG   9  -2.575   6.392  -0.367
   84   1HB   ARG   9          1HB       ARG   9  -3.045   8.680   1.462
   85   2HB   ARG   9          2HB       ARG   9  -2.754   7.122   2.234
   86   1HG   ARG   9          1HG       ARG   9  -0.968   8.123   0.019
   87   2HG   ARG   9          2HG       ARG   9  -0.692   8.586   1.698
   88   1HD   ARG   9          1HD       ARG   9  -0.114   6.445   2.341
   89   2HD   ARG   9          2HD       ARG   9  -1.113   5.690   1.099
   90    HE   ARG   9           HE       ARG   9   0.792   6.836  -0.438
   91   1HH1  ARG   9          1HH1      ARG   9   2.220   6.797   2.380
   92   2HH1  ARG   9          2HH1      ARG   9   3.251   5.424   2.146
   93   1HH2  ARG   9          1HH2      ARG   9   1.586   4.318  -0.685
   94   2HH2  ARG   9          2HH2      ARG   9   2.892   4.022   0.413
   95    H    ASP  10           H        ASP  10  -5.597   7.664   1.037
   96    HA   ASP  10           HA       ASP  10  -6.294   5.279   2.443
   97   1HB   ASP  10          1HB       ASP  10  -7.394   7.835   2.110
   98   2HB   ASP  10          2HB       ASP  10  -8.615   6.730   1.475
   99    H    LEU  11           H        LEU  11  -6.576   6.163  -0.932
  100    HA   LEU  11           HA       LEU  11  -8.557   4.153  -1.565
  101   1HB   LEU  11          1HB       LEU  11  -8.455   4.972  -3.709
  102   2HB   LEU  11          2HB       LEU  11  -7.708   6.338  -2.886
  103    HG   LEU  11           HG       LEU  11  -5.477   5.047  -3.257
  104   1HD1  LEU  11          1HD1      LEU  11  -7.400   3.336  -4.581
  105   2HD1  LEU  11          2HD1      LEU  11  -6.205   3.924  -5.738
  106   3HD1  LEU  11          3HD1      LEU  11  -5.683   3.056  -4.293
  107   1HD2  LEU  11          1HD2      LEU  11  -6.980   6.904  -4.834
  108   2HD2  LEU  11          2HD2      LEU  11  -5.228   6.748  -4.709
  109   3HD2  LEU  11          3HD2      LEU  11  -6.111   5.827  -5.926
  110    H    ARG  12           H        ARG  12  -5.035   4.363  -1.667
  111    HA   ARG  12           HA       ARG  12  -4.654   1.771  -2.866
  112   1HB   ARG  12          1HB       ARG  12  -2.969   3.874  -1.626
  113   2HB   ARG  12          2HB       ARG  12  -2.319   2.234  -1.570
  114   1HG   ARG  12          1HG       ARG  12  -2.268   2.035  -3.906
  115   2HG   ARG  12          2HG       ARG  12  -3.457   3.317  -4.134
  116   1HD   ARG  12          1HD       ARG  12  -0.916   4.081  -2.786
  117   2HD   ARG  12          2HD       ARG  12  -0.820   3.717  -4.509
  118    HE   ARG  12           HE       ARG  12  -2.916   5.624  -3.628
  119   1HH1  ARG  12          1HH1      ARG  12  -1.647   4.999  -6.432
  120   2HH1  ARG  12          2HH1      ARG  12  -0.795   6.484  -6.696
  121   1HH2  ARG  12          1HH2      ARG  12  -1.066   7.536  -3.405
  122   2HH2  ARG  12          2HH2      ARG  12  -0.467   7.921  -4.983
  123    H    LYS  13           H        LYS  13  -4.978   2.991   0.415
  124    HA   LYS  13           HA       LYS  13  -4.013   0.833   1.923
  125   1HB   LYS  13          1HB       LYS  13  -5.622   3.110   2.398
  126   2HB   LYS  13          2HB       LYS  13  -6.536   1.733   3.011
  127   1HG   LYS  13          1HG       LYS  13  -4.746   1.063   4.446
  128   2HG   LYS  13          2HG       LYS  13  -3.613   2.161   3.659
  129   1HD   LYS  13          1HD       LYS  13  -4.758   4.093   4.532
  130   2HD   LYS  13          2HD       LYS  13  -6.088   3.100   5.130
  131   1HE   LYS  13          1HE       LYS  13  -3.442   2.263   6.110
  132   2HE   LYS  13          2HE       LYS  13  -3.922   3.877   6.634
  133   1HZ   LYS  13          1HZ       LYS  13  -5.629   1.461   6.879
  134   2HZ   LYS  13          2HZ       LYS  13  -4.674   2.086   8.134
  135   3HZ   LYS  13          3HZ       LYS  13  -5.954   3.007   7.504
  136    H    LEU  14           H        LEU  14  -6.930   1.066  -0.008
  137    HA   LEU  14           HA       LEU  14  -8.298  -1.197   1.061
  138   1HB   LEU  14          1HB       LEU  14  -8.434   0.429  -1.409
  139   2HB   LEU  14          2HB       LEU  14  -9.040  -1.221  -1.561
  140    HG   LEU  14           HG       LEU  14 -10.784   0.461  -0.850
  141   1HD1  LEU  14          1HD1      LEU  14 -10.079  -2.078   0.451
  142   2HD1  LEU  14          2HD1      LEU  14 -11.126  -1.055   1.435
  143   3HD1  LEU  14          3HD1      LEU  14 -11.631  -1.536  -0.185
  144   1HD2  LEU  14          1HD2      LEU  14  -9.052   0.503   1.643
  145   2HD2  LEU  14          2HD2      LEU  14  -9.373   1.865   0.571
  146   3HD2  LEU  14          3HD2      LEU  14 -10.678   1.181   1.542
  147    H    LYS  15           H        LYS  15  -6.184  -0.938  -1.813
  148    HA   LYS  15           HA       LYS  15  -6.100  -3.598  -2.604
  149   1HB   LYS  15          1HB       LYS  15  -4.154  -1.341  -2.666
  150   2HB   LYS  15          2HB       LYS  15  -3.524  -2.952  -3.004
  151   1HG   LYS  15          1HG       LYS  15  -4.201  -2.468  -5.133
  152   2HG   LYS  15          2HG       LYS  15  -5.768  -3.001  -4.525
  153   1HD   LYS  15          1HD       LYS  15  -5.766  -0.393  -3.720
  154   2HD   LYS  15          2HD       LYS  15  -4.843  -0.279  -5.218
  155   1HE   LYS  15          1HE       LYS  15  -6.631  -0.867  -6.526
  156   2HE   LYS  15          2HE       LYS  15  -7.297  -1.954  -5.307
  157   1HZ   LYS  15          1HZ       LYS  15  -7.434   0.552  -4.196
  158   2HZ   LYS  15          2HZ       LYS  15  -7.911   0.777  -5.812
  159   3HZ   LYS  15          3HZ       LYS  15  -8.726  -0.345  -4.831
  160    H    LYS  16           H        LYS  16  -4.355  -2.081   0.085
  161    HA   LYS  16           HA       LYS  16  -2.614  -4.171   0.776
  162   1HB   LYS  16          1HB       LYS  16  -2.313  -3.047   2.747
  163   2HB   LYS  16          2HB       LYS  16  -3.250  -1.797   1.931
  164   1HG   LYS  16          1HG       LYS  16  -5.325  -2.729   2.923
  165   2HG   LYS  16          2HG       LYS  16  -4.364  -3.939   3.769
  166   1HD   LYS  16          1HD       LYS  16  -3.886  -0.970   4.079
  167   2HD   LYS  16          2HD       LYS  16  -4.973  -1.874   5.132
  168   1HE   LYS  16          1HE       LYS  16  -3.217  -2.566   6.353
  169   2HE   LYS  16          2HE       LYS  16  -2.533  -3.345   4.925
  170   1HZ   LYS  16          1HZ       LYS  16  -2.229  -0.456   5.527
  171   2HZ   LYS  16          2HZ       LYS  16  -1.085  -1.633   5.969
  172   3HZ   LYS  16          3HZ       LYS  16  -1.425  -1.347   4.329
  173    H    LYS  17           H        LYS  17  -6.042  -3.786   1.608
  174    HA   LYS  17           HA       LYS  17  -6.079  -6.403   2.925
  175   1HB   LYS  17          1HB       LYS  17  -7.680  -4.040   3.016
  176   2HB   LYS  17          2HB       LYS  17  -8.714  -5.390   2.549
  177   1HG   LYS  17          1HG       LYS  17  -8.296  -6.568   4.522
  178   2HG   LYS  17          2HG       LYS  17  -6.769  -5.735   4.813
  179   1HD   LYS  17          1HD       LYS  17  -8.936  -3.825   4.751
  180   2HD   LYS  17          2HD       LYS  17  -9.288  -5.102   5.916
  181   1HE   LYS  17          1HE       LYS  17  -7.673  -4.398   7.332
  182   2HE   LYS  17          2HE       LYS  17  -6.503  -4.213   6.026
  183   1HZ   LYS  17          1HZ       LYS  17  -8.675  -2.292   6.667
  184   2HZ   LYS  17          2HZ       LYS  17  -7.043  -2.093   7.077
  185   3HZ   LYS  17          3HZ       LYS  17  -7.511  -2.111   5.445
  186    H    ILE  18           H        ILE  18  -7.936  -4.940   0.212
  187    HA   ILE  18           HA       ILE  18  -9.048  -7.368  -0.683
  188    HB   ILE  18           HB       ILE  18 -10.147  -5.544  -1.533
  189   1HG1  ILE  18          1HG1      ILE  18  -8.840  -7.056  -3.387
  190   2HG1  ILE  18          2HG1      ILE  18 -10.062  -5.846  -3.764
  191   1HG2  ILE  18          1HG2      ILE  18  -7.429  -4.292  -1.631
  192   2HG2  ILE  18          2HG2      ILE  18  -8.737  -3.597  -2.587
  193   3HG2  ILE  18          3HG2      ILE  18  -8.892  -3.719  -0.834
  194   1HD1  ILE  18          1HD1      ILE  18  -7.196  -5.002  -3.467
  195   2HD1  ILE  18          2HD1      ILE  18  -7.729  -5.744  -4.975
  196   3HD1  ILE  18          3HD1      ILE  18  -8.482  -4.252  -4.412
  197    H    LYS  19           H        LYS  19  -6.229  -5.551  -1.981
  198    HA   LYS  19           HA       LYS  19  -5.494  -7.425  -3.958
  199   1HB   LYS  19          1HB       LYS  19  -4.423  -5.073  -3.063
  200   2HB   LYS  19          2HB       LYS  19  -3.231  -6.231  -2.476
  201   1HG   LYS  19          1HG       LYS  19  -2.771  -7.037  -4.649
  202   2HG   LYS  19          2HG       LYS  19  -4.248  -6.340  -5.313
  203   1HD   LYS  19          1HD       LYS  19  -2.961  -4.599  -5.964
  204   2HD   LYS  19          2HD       LYS  19  -2.932  -4.138  -4.262
  205   1HE   LYS  19          1HE       LYS  19  -0.834  -5.112  -3.898
  206   2HE   LYS  19          2HE       LYS  19  -0.976  -6.173  -5.299
  207   1HZ   LYS  19          1HZ       LYS  19  -1.134  -3.428  -6.038
  208   2HZ   LYS  19          2HZ       LYS  19   0.309  -3.755  -5.204
  209   3HZ   LYS  19          3HZ       LYS  19  -0.085  -4.634  -6.603
  210    H    LYS  20           H        LYS  20  -5.258  -7.625  -0.509
  211    HA   LYS  20           HA       LYS  20  -3.256  -9.719  -0.460
  212   1HB   LYS  20          1HB       LYS  20  -4.129  -8.046   1.434
  213   2HB   LYS  20          2HB       LYS  20  -5.213  -9.395   1.772
  214   1HG   LYS  20          1HG       LYS  20  -2.405 -10.182   1.330
  215   2HG   LYS  20          2HG       LYS  20  -2.661  -9.174   2.756
  216   1HD   LYS  20          1HD       LYS  20  -4.684 -10.802   3.191
  217   2HD   LYS  20          2HD       LYS  20  -3.780 -11.890   2.134
  218   1HE   LYS  20          1HE       LYS  20  -1.920 -10.752   3.963
  219   2HE   LYS  20          2HE       LYS  20  -3.308 -11.304   4.901
  220   1HZ   LYS  20          1HZ       LYS  20  -2.153 -13.023   2.807
  221   2HZ   LYS  20          2HZ       LYS  20  -1.436 -12.960   4.345
  222   3HZ   LYS  20          3HZ       LYS  20  -3.047 -13.462   4.184
  223    H    LEU  21           H        LEU  21  -6.801  -9.586  -0.288
  224    HA   LEU  21           HA       LEU  21  -7.333 -12.307   0.210
  225   1HB   LEU  21          1HB       LEU  21  -9.518 -11.851  -0.458
  226   2HB   LEU  21          2HB       LEU  21  -8.928 -10.239  -0.068
  227    HG   LEU  21           HG       LEU  21  -8.231 -10.175  -2.595
  228   1HD1  LEU  21          1HD1      LEU  21  -9.699 -12.679  -2.376
  229   2HD1  LEU  21          2HD1      LEU  21 -10.443 -11.591  -3.548
  230   3HD1  LEU  21          3HD1      LEU  21  -8.750 -12.057  -3.726
  231   1HD2  LEU  21          1HD2      LEU  21 -10.254  -9.084  -1.205
  232   2HD2  LEU  21          2HD2      LEU  21 -10.104  -8.888  -2.951
  233   3HD2  LEU  21          3HD2      LEU  21 -11.194 -10.108  -2.289
  234    H    GLU  22           H        GLU  22  -6.563 -10.674  -2.826
  235    HA   GLU  22           HA       GLU  22  -7.086 -12.859  -4.572
  236   1HB   GLU  22          1HB       GLU  22  -5.450 -10.368  -4.703
  237   2HB   GLU  22          2HB       GLU  22  -5.113 -11.625  -5.894
  238   1HG   GLU  22          1HG       GLU  22  -7.982 -11.080  -5.469
  239   2HG   GLU  22          2HG       GLU  22  -7.078  -9.736  -6.168
  240    H    GLU  23           H        GLU  23  -4.338 -12.103  -2.514
  241    HA   GLU  23           HA       GLU  23  -2.573 -14.061  -3.702
  242   1HB   GLU  23          1HB       GLU  23  -2.400 -12.048  -1.690
  243   2HB   GLU  23          2HB       GLU  23  -1.891 -13.575  -0.966
  244   1HG   GLU  23          1HG       GLU  23   0.058 -13.506  -2.085
  245   2HG   GLU  23          2HG       GLU  23  -0.794 -13.353  -3.622
  246    H    ASP  24           H        ASP  24  -4.203 -13.999  -0.517
  247    HA   ASP  24           HA       ASP  24  -3.726 -16.752   0.065
  248   1HB   ASP  24          1HB       ASP  24  -4.944 -14.565   1.343
  249   2HB   ASP  24          2HB       ASP  24  -6.206 -15.789   1.219
  250    H    ASN  25           H        ASN  25  -4.278 -17.658  -2.108
  251    HA   ASN  25           HA       ASN  25  -7.179 -17.790  -2.702
  252   1HB   ASN  25          1HB       ASN  25  -5.430 -17.405  -4.508
  253   2HB   ASN  25          2HB       ASN  25  -4.911 -19.071  -4.244
  254   1HD2  ASN  25          2HD2      ASN  25  -7.598 -17.066  -5.422
  255   2HD2  ASN  25          1HD2      ASN  25  -8.430 -18.334  -6.185
  256    HA   PRO  26           HA       PRO  26  -7.484 -21.755  -0.782
  257   1HB   PRO  26          1HB       PRO  26  -9.938 -22.409  -1.832
  258   2HB   PRO  26          2HB       PRO  26  -9.721 -21.267  -0.500
  259   1HG   PRO  26          1HG       PRO  26 -10.378 -20.711  -3.351
  260   2HG   PRO  26          2HG       PRO  26 -10.760 -19.759  -1.906
  261   1HD   PRO  26          1HD       PRO  26  -8.686 -19.210  -3.746
  262   2HD   PRO  26          2HD       PRO  26  -8.868 -18.485  -2.136
  263    H    TRP  27           H        TRP  27  -8.826 -21.717  -4.083
  264    HA   TRP  27           HA       TRP  27  -8.296 -24.389  -4.770
  265   1HB   TRP  27          1HB       TRP  27  -9.629 -22.989  -6.230
  266   2HB   TRP  27          2HB       TRP  27  -8.263 -21.909  -6.515
  267    HD1  TRP  27           HD1      TRP  27  -7.199 -22.324  -8.770
  268    HE1  TRP  27           HE1      TRP  27  -6.765 -24.375 -10.270
  269    HE3  TRP  27           HE3      TRP  27  -9.281 -25.985  -5.883
  270    HZ2  TRP  27           HZ2      TRP  27  -7.238 -27.196 -10.249
  271    HZ3  TRP  27           HZ3      TRP  27  -9.276 -28.342  -6.645
  272    HH2  TRP  27           HH2      TRP  27  -8.258 -28.953  -8.822
  Start of MODEL   15
    1   1H    ARG   1          1H        ARG   1  -5.376  22.307   2.954
    2   2H    ARG   1          2H        ARG   1  -6.128  22.271   4.477
    3   3H    ARG   1          3H        ARG   1  -4.836  21.221   4.139
    4    HA   ARG   1           HA       ARG   1  -6.913  20.018   4.056
    5   1HB   ARG   1          1HB       ARG   1  -8.255  22.066   3.434
    6   2HB   ARG   1          2HB       ARG   1  -7.630  21.901   1.792
    7   1HG   ARG   1          1HG       ARG   1  -8.490  19.352   2.286
    8   2HG   ARG   1          2HG       ARG   1  -9.670  20.295   3.197
    9   1HD   ARG   1          1HD       ARG   1 -10.375  21.486   1.278
   10   2HD   ARG   1          2HD       ARG   1  -8.944  21.017   0.357
   11    HE   ARG   1           HE       ARG   1 -10.132  18.599   0.859
   12   1HH1  ARG   1          1HH1      ARG   1 -12.727  20.072   1.150
   13   2HH1  ARG   1          2HH1      ARG   1 -13.329  20.070  -0.474
   14   1HH2  ARG   1          1HH2      ARG   1 -10.268  19.259  -1.887
   15   2HH2  ARG   1          2HH2      ARG   1 -11.938  19.608  -2.194
   16    H    LYS   2           H        LYS   2  -4.520  19.246   3.332
   17    HA   LYS   2           HA       LYS   2  -4.262  18.888   0.432
   18   1HB   LYS   2          1HB       LYS   2  -2.409  19.028   2.374
   19   2HB   LYS   2          2HB       LYS   2  -2.623  17.278   2.329
   20   1HG   LYS   2          1HG       LYS   2  -0.833  18.063   0.774
   21   2HG   LYS   2          2HG       LYS   2  -2.149  17.240  -0.065
   22   1HD   LYS   2          1HD       LYS   2  -3.010  19.229  -0.945
   23   2HD   LYS   2          2HD       LYS   2  -2.239  20.225   0.290
   24   1HE   LYS   2          1HE       LYS   2  -0.417  20.504  -0.996
   25   2HE   LYS   2          2HE       LYS   2  -0.235  18.761  -1.190
   26   1HZ   LYS   2          1HZ       LYS   2  -2.430  19.623  -2.711
   27   2HZ   LYS   2          2HZ       LYS   2  -1.104  20.618  -3.080
   28   3HZ   LYS   2          3HZ       LYS   2  -0.978  18.932  -3.251
   29    H    LYS   3           H        LYS   3  -6.638  17.830   0.836
   30    HA   LYS   3           HA       LYS   3  -6.467  15.023   1.569
   31   1HB   LYS   3          1HB       LYS   3  -8.667  16.844   0.642
   32   2HB   LYS   3          2HB       LYS   3  -8.912  15.097   0.650
   33   1HG   LYS   3          1HG       LYS   3  -8.519  14.967   3.013
   34   2HG   LYS   3          2HG       LYS   3  -7.936  16.630   3.069
   35   1HD   LYS   3          1HD       LYS   3 -10.060  17.166   3.650
   36   2HD   LYS   3          2HD       LYS   3 -10.437  16.922   1.945
   37   1HE   LYS   3          1HE       LYS   3 -11.165  14.687   2.318
   38   2HE   LYS   3          2HE       LYS   3 -10.451  14.643   3.929
   39   1HZ   LYS   3          1HZ       LYS   3 -12.029  16.376   4.602
   40   2HZ   LYS   3          2HZ       LYS   3 -12.748  16.315   3.064
   41   3HZ   LYS   3          3HZ       LYS   3 -12.816  14.963   4.091
   42    H    LEU   4           H        LEU   4  -5.152  16.379  -0.852
   43    HA   LEU   4           HA       LEU   4  -6.265  14.784  -3.051
   44   1HB   LEU   4          1HB       LEU   4  -5.517  17.124  -3.472
   45   2HB   LEU   4          2HB       LEU   4  -3.875  16.650  -3.032
   46    HG   LEU   4           HG       LEU   4  -4.425  16.655  -5.538
   47   1HD1  LEU   4          1HD1      LEU   4  -2.646  15.230  -4.126
   48   2HD1  LEU   4          2HD1      LEU   4  -3.609  13.894  -4.759
   49   3HD1  LEU   4          3HD1      LEU   4  -2.831  15.024  -5.867
   50   1HD2  LEU   4          1HD2      LEU   4  -6.680  15.577  -5.211
   51   2HD2  LEU   4          2HD2      LEU   4  -5.666  14.749  -6.394
   52   3HD2  LEU   4          3HD2      LEU   4  -5.848  14.086  -4.770
   53    H    GLU   5           H        GLU   5  -2.970  15.299  -1.750
   54    HA   GLU   5           HA       GLU   5  -2.004  12.794  -2.760
   55   1HB   GLU   5          1HB       GLU   5  -0.930  14.579  -0.556
   56   2HB   GLU   5          2HB       GLU   5  -0.034  13.288  -1.356
   57   1HG   GLU   5          1HG       GLU   5  -0.505  14.506  -3.550
   58   2HG   GLU   5          2HG       GLU   5  -1.047  15.865  -2.563
   59    H    GLU   6           H        GLU   6  -3.439  13.903   0.251
   60    HA   GLU   6           HA       GLU   6  -2.859  11.635   1.872
   61   1HB   GLU   6          1HB       GLU   6  -4.504  13.997   2.018
   62   2HB   GLU   6          2HB       GLU   6  -5.440  12.601   2.556
   63   1HG   GLU   6          1HG       GLU   6  -2.760  12.445   3.613
   64   2HG   GLU   6          2HG       GLU   6  -3.473  14.007   4.018
   65    H    LEU   7           H        LEU   7  -5.669  12.371  -0.204
   66    HA   LEU   7           HA       LEU   7  -7.064   9.942   0.291
   67   1HB   LEU   7          1HB       LEU   7  -7.124  12.046  -1.828
   68   2HB   LEU   7          2HB       LEU   7  -7.954  10.522  -2.145
   69    HG   LEU   7           HG       LEU   7  -9.232  12.487  -0.941
   70   1HD1  LEU   7          1HD1      LEU   7  -9.234   9.569  -0.154
   71   2HD1  LEU   7          2HD1      LEU   7 -10.445  10.703   0.441
   72   3HD1  LEU   7          3HD1      LEU   7 -10.308  10.387  -1.288
   73   1HD2  LEU   7          1HD2      LEU   7  -7.352  12.629   0.799
   74   2HD2  LEU   7          2HD2      LEU   7  -8.993  12.545   1.439
   75   3HD2  LEU   7          3HD2      LEU   7  -7.971  11.107   1.442
   76    H    GLU   8           H        GLU   8  -4.888  10.826  -2.421
   77    HA   GLU   8           HA       GLU   8  -4.918   8.487  -3.898
   78   1HB   GLU   8          1HB       GLU   8  -2.457  10.056  -3.054
   79   2HB   GLU   8          2HB       GLU   8  -2.497   8.883  -4.371
   80   1HG   GLU   8          1HG       GLU   8  -4.212  11.382  -4.210
   81   2HG   GLU   8          2HG       GLU   8  -2.765  11.206  -5.204
   82    H    ARG   9           H        ARG   9  -3.480   9.031  -0.746
   83    HA   ARG   9           HA       ARG   9  -2.174   6.457  -0.577
   84   1HB   ARG   9          1HB       ARG   9  -2.821   8.682   1.322
   85   2HB   ARG   9          2HB       ARG   9  -2.375   7.109   1.985
   86   1HG   ARG   9          1HG       ARG   9  -0.230   7.171   1.036
   87   2HG   ARG   9          2HG       ARG   9  -0.696   8.371  -0.171
   88   1HD   ARG   9          1HD       ARG   9  -1.077   9.975   1.790
   89   2HD   ARG   9          2HD       ARG   9  -0.228   8.794   2.786
   90    HE   ARG   9           HE       ARG   9   1.747   9.128   1.282
   91   1HH1  ARG   9          1HH2      ARG   9   0.806  11.716   2.739
   92   2HH1  ARG   9          2HH2      ARG   9   1.029  12.872   1.467
   93   1HH2  ARG   9          1HH1      ARG   9   1.331  10.476  -1.020
   94   2HH2  ARG   9          2HH1      ARG   9   1.326  12.170  -0.659
   95    H    ASP  10           H        ASP  10  -5.243   7.814   0.602
   96    HA   ASP  10           HA       ASP  10  -6.158   5.559   2.040
   97   1HB   ASP  10          1HB       ASP  10  -7.246   8.036   1.102
   98   2HB   ASP  10          2HB       ASP  10  -8.390   6.747   0.730
   99    H    LEU  11           H        LEU  11  -5.918   6.061  -1.409
  100    HA   LEU  11           HA       LEU  11  -7.832   4.027  -2.135
  101   1HB   LEU  11          1HB       LEU  11  -7.267   4.515  -4.320
  102   2HB   LEU  11          2HB       LEU  11  -6.693   5.990  -3.545
  103    HG   LEU  11           HG       LEU  11  -4.457   4.628  -3.261
  104   1HD1  LEU  11          1HD1      LEU  11  -6.000   3.113  -5.354
  105   2HD1  LEU  11          2HD1      LEU  11  -4.244   3.212  -5.451
  106   3HD1  LEU  11          3HD1      LEU  11  -5.009   2.482  -4.042
  107   1HD2  LEU  11          1HD2      LEU  11  -5.546   6.345  -5.319
  108   2HD2  LEU  11          2HD2      LEU  11  -3.906   6.291  -4.677
  109   3HD2  LEU  11          3HD2      LEU  11  -4.364   5.234  -6.011
  110    H    ARG  12           H        ARG  12  -4.357   4.120  -1.560
  111    HA   ARG  12           HA       ARG  12  -3.852   1.417  -2.393
  112   1HB   ARG  12          1HB       ARG  12  -1.712   2.056  -2.065
  113   2HB   ARG  12          2HB       ARG  12  -2.333   3.632  -1.582
  114   1HG   ARG  12          1HG       ARG  12  -2.498   2.869   0.750
  115   2HG   ARG  12          2HG       ARG  12  -1.905   1.276   0.280
  116   1HD   ARG  12          1HD       ARG  12   0.226   2.213  -0.407
  117   2HD   ARG  12          2HD       ARG  12  -0.362   3.852  -0.130
  118    HE   ARG  12           HE       ARG  12   0.873   2.377   1.856
  119   1HH1  ARG  12          1HH1      ARG  12  -1.733   1.361   2.739
  120   2HH1  ARG  12          2HH1      ARG  12  -2.311   2.607   3.794
  121   1HH2  ARG  12          1HH2      ARG  12  -0.097   4.998   2.612
  122   2HH2  ARG  12          2HH2      ARG  12  -1.383   4.666   3.723
  123    H    LYS  13           H        LYS  13  -4.895   2.926   0.597
  124    HA   LYS  13           HA       LYS  13  -4.351   0.839   2.424
  125   1HB   LYS  13          1HB       LYS  13  -5.477   3.252   2.698
  126   2HB   LYS  13          2HB       LYS  13  -6.953   2.285   2.655
  127   1HG   LYS  13          1HG       LYS  13  -6.359   1.063   4.576
  128   2HG   LYS  13          2HG       LYS  13  -4.652   1.485   4.426
  129   1HD   LYS  13          1HD       LYS  13  -5.131   3.803   5.019
  130   2HD   LYS  13          2HD       LYS  13  -6.860   3.461   5.066
  131   1HE   LYS  13          1HE       LYS  13  -5.677   3.475   7.327
  132   2HE   LYS  13          2HE       LYS  13  -6.621   2.029   6.966
  133   1HZ   LYS  13          1HZ       LYS  13  -3.724   2.237   6.385
  134   2HZ   LYS  13          2HZ       LYS  13  -4.321   1.647   7.861
  135   3HZ   LYS  13          3HZ       LYS  13  -4.685   0.839   6.412
  136    H    LEU  14           H        LEU  14  -6.713   1.075  -0.118
  137    HA   LEU  14           HA       LEU  14  -8.329  -1.132   0.895
  138   1HB   LEU  14          1HB       LEU  14  -8.481   0.813  -1.292
  139   2HB   LEU  14          2HB       LEU  14  -9.006  -0.804  -1.767
  140    HG   LEU  14           HG       LEU  14  -9.979   0.228   0.856
  141   1HD1  LEU  14          1HD1      LEU  14 -10.689   1.370  -1.827
  142   2HD1  LEU  14          2HD1      LEU  14 -11.947   1.211  -0.602
  143   3HD1  LEU  14          3HD1      LEU  14 -10.519   2.191  -0.276
  144   1HD2  LEU  14          1HD2      LEU  14 -10.437  -2.036  -0.490
  145   2HD2  LEU  14          2HD2      LEU  14 -11.696  -1.278   0.485
  146   3HD2  LEU  14          3HD2      LEU  14 -11.670  -1.037  -1.261
  147    H    LYS  15           H        LYS  15  -6.728  -0.759  -2.269
  148    HA   LYS  15           HA       LYS  15  -6.561  -3.373  -3.077
  149   1HB   LYS  15          1HB       LYS  15  -5.646  -1.585  -4.444
  150   2HB   LYS  15          2HB       LYS  15  -4.372  -1.284  -3.261
  151   1HG   LYS  15          1HG       LYS  15  -3.373  -3.437  -3.675
  152   2HG   LYS  15          2HG       LYS  15  -4.739  -3.939  -4.672
  153   1HD   LYS  15          1HD       LYS  15  -3.575  -3.171  -6.447
  154   2HD   LYS  15          2HD       LYS  15  -3.899  -1.548  -5.837
  155   1HE   LYS  15          1HE       LYS  15  -1.821  -1.997  -4.303
  156   2HE   LYS  15          2HE       LYS  15  -1.436  -3.239  -5.495
  157   1HZ   LYS  15          1HZ       LYS  15  -2.142  -0.540  -6.414
  158   2HZ   LYS  15          2HZ       LYS  15  -0.585  -0.816  -5.801
  159   3HZ   LYS  15          3HZ       LYS  15  -1.137  -1.699  -7.143
  160    H    LYS  16           H        LYS  16  -4.845  -1.929  -0.412
  161    HA   LYS  16           HA       LYS  16  -2.782  -3.869  -0.096
  162   1HB   LYS  16          1HB       LYS  16  -4.071  -1.812   1.583
  163   2HB   LYS  16          2HB       LYS  16  -3.380  -3.163   2.481
  164   1HG   LYS  16          1HG       LYS  16  -1.707  -2.053   0.291
  165   2HG   LYS  16          2HG       LYS  16  -1.920  -1.023   1.707
  166   1HD   LYS  16          1HD       LYS  16  -0.086  -2.267   2.389
  167   2HD   LYS  16          2HD       LYS  16  -1.394  -3.279   3.008
  168   1HE   LYS  16          1HE       LYS  16   0.138  -4.723   1.826
  169   2HE   LYS  16          2HE       LYS  16  -1.311  -4.563   0.835
  170   1HZ   LYS  16          1HZ       LYS  16   0.153  -2.500  -0.025
  171   2HZ   LYS  16          2HZ       LYS  16   1.378  -3.613   0.345
  172   3HZ   LYS  16          3HZ       LYS  16   0.154  -4.035  -0.756
  173    H    LYS  17           H        LYS  17  -6.011  -3.701   1.441
  174    HA   LYS  17           HA       LYS  17  -5.732  -6.403   2.494
  175   1HB   LYS  17          1HB       LYS  17  -7.306  -4.159   3.107
  176   2HB   LYS  17          2HB       LYS  17  -8.442  -5.380   2.534
  177   1HG   LYS  17          1HG       LYS  17  -8.296  -6.390   4.538
  178   2HG   LYS  17          2HG       LYS  17  -6.602  -6.742   4.191
  179   1HD   LYS  17          1HD       LYS  17  -6.654  -5.526   6.268
  180   2HD   LYS  17          2HD       LYS  17  -6.049  -4.419   5.035
  181   1HE   LYS  17          1HE       LYS  17  -7.873  -3.070   5.177
  182   2HE   LYS  17          2HE       LYS  17  -8.983  -4.432   5.317
  183   1HZ   LYS  17          1HZ       LYS  17  -8.200  -4.706   7.631
  184   2HZ   LYS  17          2HZ       LYS  17  -7.298  -3.275   7.468
  185   3HZ   LYS  17          3HZ       LYS  17  -8.990  -3.227   7.361
  186    H    ILE  18           H        ILE  18  -7.796  -4.829   0.025
  187    HA   ILE  18           HA       ILE  18  -9.227  -7.103  -0.783
  188    HB   ILE  18           HB       ILE  18 -10.096  -5.242  -1.784
  189   1HG1  ILE  18          1HG1      ILE  18  -7.954  -6.065  -3.755
  190   2HG1  ILE  18          2HG1      ILE  18  -9.628  -6.623  -3.709
  191   1HG2  ILE  18          1HG2      ILE  18  -7.277  -4.270  -1.668
  192   2HG2  ILE  18          2HG2      ILE  18  -8.399  -3.463  -2.761
  193   3HG2  ILE  18          3HG2      ILE  18  -8.745  -3.526  -1.034
  194   1HD1  ILE  18          1HD1      ILE  18  -8.785  -3.744  -4.162
  195   2HD1  ILE  18          2HD1      ILE  18  -9.245  -4.861  -5.447
  196   3HD1  ILE  18          3HD1      ILE  18 -10.430  -4.377  -4.235
  197    H    LYS  19           H        LYS  19  -6.192  -5.785  -2.133
  198    HA   LYS  19           HA       LYS  19  -5.799  -7.979  -3.946
  199   1HB   LYS  19          1HB       LYS  19  -4.642  -5.569  -3.746
  200   2HB   LYS  19          2HB       LYS  19  -3.440  -6.508  -2.859
  201   1HG   LYS  19          1HG       LYS  19  -3.538  -8.150  -4.857
  202   2HG   LYS  19          2HG       LYS  19  -4.331  -6.833  -5.722
  203   1HD   LYS  19          1HD       LYS  19  -2.404  -5.660  -5.931
  204   2HD   LYS  19          2HD       LYS  19  -1.927  -5.984  -4.263
  205   1HE   LYS  19          1HE       LYS  19  -0.378  -7.389  -5.117
  206   2HE   LYS  19          2HE       LYS  19  -1.719  -8.470  -5.495
  207   1HZ   LYS  19          1HZ       LYS  19  -1.802  -6.710  -7.529
  208   2HZ   LYS  19          2HZ       LYS  19  -0.130  -6.822  -7.248
  209   3HZ   LYS  19          3HZ       LYS  19  -1.033  -8.220  -7.592
  210    H    LYS  20           H        LYS  20  -5.463  -7.678  -0.570
  211    HA   LYS  20           HA       LYS  20  -3.366  -9.651  -0.233
  212   1HB   LYS  20          1HB       LYS  20  -4.899  -7.868   1.447
  213   2HB   LYS  20          2HB       LYS  20  -4.872  -9.488   2.142
  214   1HG   LYS  20          1HG       LYS  20  -2.256  -8.973   1.171
  215   2HG   LYS  20          2HG       LYS  20  -2.760  -7.539   2.070
  216   1HD   LYS  20          1HD       LYS  20  -3.140 -10.322   3.180
  217   2HD   LYS  20          2HD       LYS  20  -1.643  -9.421   3.425
  218   1HE   LYS  20          1HE       LYS  20  -2.607  -8.297   5.117
  219   2HE   LYS  20          2HE       LYS  20  -3.807  -7.656   3.995
  220   1HZ   LYS  20          1HZ       LYS  20  -5.027  -9.795   4.292
  221   2HZ   LYS  20          2HZ       LYS  20  -3.952 -10.180   5.545
  222   3HZ   LYS  20          3HZ       LYS  20  -4.962  -8.821   5.682
  223    H    LEU  21           H        LEU  21  -6.914  -9.683   0.334
  224    HA   LEU  21           HA       LEU  21  -7.113 -12.404   1.041
  225   1HB   LEU  21          1HB       LEU  21  -9.447 -12.203   0.550
  226   2HB   LEU  21          2HB       LEU  21  -8.919 -10.638   1.159
  227    HG   LEU  21           HG       LEU  21  -8.491 -10.191  -1.435
  228   1HD1  LEU  21          1HD1      LEU  21 -10.559 -12.390  -1.302
  229   2HD1  LEU  21          2HD1      LEU  21 -10.518 -11.235  -2.635
  230   3HD1  LEU  21          3HD1      LEU  21  -9.137 -12.293  -2.341
  231   1HD2  LEU  21          1HD2      LEU  21 -11.146 -10.082   0.018
  232   2HD2  LEU  21          2HD2      LEU  21  -9.927  -8.811  -0.062
  233   3HD2  LEU  21          3HD2      LEU  21 -10.833  -9.256  -1.508
  234    H    GLU  22           H        GLU  22  -7.018 -10.879  -2.141
  235    HA   GLU  22           HA       GLU  22  -7.643 -13.211  -3.666
  236   1HB   GLU  22          1HB       GLU  22  -5.853 -10.909  -4.491
  237   2HB   GLU  22          2HB       GLU  22  -6.721 -12.010  -5.564
  238   1HG   GLU  22          1HG       GLU  22  -8.427 -10.673  -3.565
  239   2HG   GLU  22          2HG       GLU  22  -7.684  -9.581  -4.734
  240    H    GLU  23           H        GLU  23  -4.571 -11.923  -2.442
  241    HA   GLU  23           HA       GLU  23  -2.880 -13.793  -3.791
  242   1HB   GLU  23          1HB       GLU  23  -2.621 -11.840  -1.599
  243   2HB   GLU  23          2HB       GLU  23  -1.522 -13.215  -1.479
  244   1HG   GLU  23          1HG       GLU  23  -1.299 -12.632  -4.130
  245   2HG   GLU  23          2HG       GLU  23  -1.588 -11.024  -3.466
  246    H    ASP  24           H        ASP  24  -1.384 -15.083  -1.883
  247    HA   ASP  24           HA       ASP  24  -1.376 -16.873  -0.347
  248   1HB   ASP  24          1HB       ASP  24  -3.327 -15.458   0.686
  249   2HB   ASP  24          2HB       ASP  24  -4.362 -16.671  -0.067
  250    H    ASN  25           H        ASN  25  -4.308 -16.852  -2.410
  251    HA   ASN  25           HA       ASN  25  -4.331 -19.717  -2.728
  252   1HB   ASN  25          1HB       ASN  25  -5.682 -17.402  -4.092
  253   2HB   ASN  25          2HB       ASN  25  -5.792 -19.016  -4.796
  254   1HD2  ASN  25          2HD2      ASN  25  -7.923 -17.341  -3.406
  255   2HD2  ASN  25          1HD2      ASN  25  -8.514 -18.339  -2.166
  256    HA   PRO  26           HA       PRO  26  -1.156 -20.017  -5.776
  257   1HB   PRO  26          1HB       PRO  26  -1.692 -22.609  -6.520
  258   2HB   PRO  26          2HB       PRO  26  -0.857 -22.177  -5.019
  259   1HG   PRO  26          1HG       PRO  26  -3.661 -23.123  -5.403
  260   2HG   PRO  26          2HG       PRO  26  -2.604 -23.288  -3.991
  261   1HD   PRO  26          1HD       PRO  26  -4.696 -21.404  -4.278
  262   2HD   PRO  26          2HD       PRO  26  -3.420 -21.364  -3.042
  263    H    TRP  27           H        TRP  27  -3.808 -22.056  -7.001
  264    HA   TRP  27           HA       TRP  27  -3.902 -20.307  -9.429
  265   1HB   TRP  27          1HB       TRP  27  -3.039 -22.849  -9.456
  266   2HB   TRP  27          2HB       TRP  27  -4.771 -23.155  -9.590
  267    HD1  TRP  27           HD1      TRP  27  -5.333 -23.488 -12.042
  268    HE1  TRP  27           HE1      TRP  27  -4.732 -22.306 -14.253
  269    HE3  TRP  27           HE3      TRP  27  -2.019 -20.015 -10.307
  270    HZ2  TRP  27           HZ2      TRP  27  -3.062 -20.167 -15.164
  271    HZ3  TRP  27           HZ3      TRP  27  -0.939 -18.419 -11.864
  272    HH2  TRP  27           HH2      TRP  27  -1.456 -18.490 -14.289
  Start of MODEL   16
    1   1H    ARG   1          1H        ARG   1  -4.146  20.738   4.357
    2   2H    ARG   1          2H        ARG   1  -3.774  22.026   3.316
    3   3H    ARG   1          3H        ARG   1  -5.033  22.184   4.446
    4    HA   ARG   1           HA       ARG   1  -6.358  20.563   3.317
    5   1HB   ARG   1          1HB       ARG   1  -5.137  22.564   1.389
    6   2HB   ARG   1          2HB       ARG   1  -6.685  21.747   1.173
    7   1HG   ARG   1          1HG       ARG   1  -7.623  23.460   2.301
    8   2HG   ARG   1          2HG       ARG   1  -6.832  22.830   3.745
    9   1HD   ARG   1          1HD       ARG   1  -6.363  25.285   3.178
   10   2HD   ARG   1          2HD       ARG   1  -4.952  24.268   3.469
   11    HE   ARG   1           HE       ARG   1  -5.818  24.544   0.656
   12   1HH1  ARG   1          1HH1      ARG   1  -3.080  23.723   1.879
   13   2HH1  ARG   1          2HH1      ARG   1  -2.130  25.107   1.447
   14   1HH2  ARG   1          1HH2      ARG   1  -4.874  27.079   0.673
   15   2HH2  ARG   1          2HH2      ARG   1  -3.147  27.005   0.765
   16    H    LYS   2           H        LYS   2  -4.074  19.025   3.561
   17    HA   LYS   2           HA       LYS   2  -3.085  18.346   0.878
   18   1HB   LYS   2          1HB       LYS   2  -1.969  18.139   3.355
   19   2HB   LYS   2          2HB       LYS   2  -2.559  16.492   3.124
   20   1HG   LYS   2          1HG       LYS   2  -0.850  16.059   1.728
   21   2HG   LYS   2          2HG       LYS   2  -1.365  17.378   0.675
   22   1HD   LYS   2          1HD       LYS   2  -0.207  18.761   2.733
   23   2HD   LYS   2          2HD       LYS   2   0.795  17.311   2.683
   24   1HE   LYS   2          1HE       LYS   2   0.392  18.055  -0.008
   25   2HE   LYS   2          2HE       LYS   2   0.761  19.549   0.855
   26   1HZ   LYS   2          1HZ       LYS   2   2.355  17.066   1.141
   27   2HZ   LYS   2          2HZ       LYS   2   2.731  18.292   0.026
   28   3HZ   LYS   2          3HZ       LYS   2   2.754  18.625   1.689
   29    H    LYS   3           H        LYS   3  -5.828  18.044   0.876
   30    HA   LYS   3           HA       LYS   3  -6.498  15.293   1.498
   31   1HB   LYS   3          1HB       LYS   3  -8.684  15.908   1.147
   32   2HB   LYS   3          2HB       LYS   3  -8.005  17.518   1.381
   33   1HG   LYS   3          1HG       LYS   3  -7.545  17.388  -1.207
   34   2HG   LYS   3          2HG       LYS   3  -8.809  16.158  -1.173
   35   1HD   LYS   3          1HD       LYS   3 -10.299  17.784   0.003
   36   2HD   LYS   3          2HD       LYS   3  -9.049  19.015  -0.184
   37   1HE   LYS   3          1HE       LYS   3  -9.858  17.537  -2.639
   38   2HE   LYS   3          2HE       LYS   3 -11.019  18.692  -1.986
   39   1HZ   LYS   3          1HZ       LYS   3  -9.177  20.338  -1.937
   40   2HZ   LYS   3          2HZ       LYS   3  -8.213  19.221  -2.782
   41   3HZ   LYS   3          3HZ       LYS   3  -9.620  19.839  -3.501
   42    H    LEU   4           H        LEU   4  -4.485  16.235  -0.622
   43    HA   LEU   4           HA       LEU   4  -5.590  14.948  -3.018
   44   1HB   LEU   4          1HB       LEU   4  -4.017  17.058  -2.936
   45   2HB   LEU   4          2HB       LEU   4  -2.736  15.851  -2.788
   46    HG   LEU   4           HG       LEU   4  -3.032  16.315  -5.142
   47   1HD1  LEU   4          1HD1      LEU   4  -2.774  13.910  -4.355
   48   2HD1  LEU   4          2HD1      LEU   4  -4.517  13.739  -4.561
   49   3HD1  LEU   4          3HD1      LEU   4  -3.496  14.098  -5.953
   50   1HD2  LEU   4          1HD2      LEU   4  -5.451  17.155  -4.709
   51   2HD2  LEU   4          2HD2      LEU   4  -5.132  16.335  -6.239
   52   3HD2  LEU   4          3HD2      LEU   4  -5.923  15.469  -4.922
   53    H    GLU   5           H        GLU   5  -2.449  14.635  -1.357
   54    HA   GLU   5           HA       GLU   5  -2.039  11.936  -2.182
   55   1HB   GLU   5          1HB       GLU   5  -0.911  13.454   0.188
   56   2HB   GLU   5          2HB       GLU   5  -0.245  11.966  -0.488
   57   1HG   GLU   5          1HG       GLU   5  -0.139  13.260  -2.722
   58   2HG   GLU   5          2HG       GLU   5  -0.359  14.707  -1.738
   59    H    GLU   6           H        GLU   6  -3.728  13.434   0.478
   60    HA   GLU   6           HA       GLU   6  -3.905  11.289   2.299
   61   1HB   GLU   6          1HB       GLU   6  -5.319  13.774   1.782
   62   2HB   GLU   6          2HB       GLU   6  -6.443  12.505   2.272
   63   1HG   GLU   6          1HG       GLU   6  -3.878  13.108   3.762
   64   2HG   GLU   6          2HG       GLU   6  -5.434  13.825   4.185
   65    H    LEU   7           H        LEU   7  -6.347  12.155  -0.176
   66    HA   LEU   7           HA       LEU   7  -7.708   9.649   0.023
   67   1HB   LEU   7          1HB       LEU   7  -7.749  11.972  -1.852
   68   2HB   LEU   7          2HB       LEU   7  -8.499  10.465  -2.381
   69    HG   LEU   7           HG       LEU   7  -9.904  12.241  -1.023
   70   1HD1  LEU   7          1HD1      LEU   7  -9.908   9.332  -1.212
   71   2HD1  LEU   7          2HD1      LEU   7 -10.694   9.888   0.265
   72   3HD1  LEU   7          3HD1      LEU   7 -11.264  10.457  -1.303
   73   1HD2  LEU   7          1HD2      LEU   7  -8.099  12.175   0.821
   74   2HD2  LEU   7          2HD2      LEU   7  -9.778  12.040   1.345
   75   3HD2  LEU   7          3HD2      LEU   7  -8.767  10.599   1.247
   76    H    GLU   8           H        GLU   8  -5.494  10.894  -2.534
   77    HA   GLU   8           HA       GLU   8  -5.377   8.640  -4.155
   78   1HB   GLU   8          1HB       GLU   8  -3.467   9.555  -5.041
   79   2HB   GLU   8          2HB       GLU   8  -3.916  10.931  -4.036
   80   1HG   GLU   8          1HG       GLU   8  -2.471  10.117  -2.228
   81   2HG   GLU   8          2HG       GLU   8  -2.060   8.689  -3.178
   82    H    ARG   9           H        ARG   9  -4.032   9.091  -0.962
   83    HA   ARG   9           HA       ARG   9  -2.581   6.570  -0.970
   84   1HB   ARG   9          1HB       ARG   9  -3.178   8.724   1.023
   85   2HB   ARG   9          2HB       ARG   9  -2.674   7.141   1.619
   86   1HG   ARG   9          1HG       ARG   9  -0.778   7.373  -0.186
   87   2HG   ARG   9          2HG       ARG   9  -1.149   9.096  -0.078
   88   1HD   ARG   9          1HD       ARG   9   0.154   9.186   1.758
   89   2HD   ARG   9          2HD       ARG   9  -1.045   8.189   2.582
   90    HE   ARG   9           HE       ARG   9   1.011   6.788   0.970
   91   1HH1  ARG   9          1HH1      ARG   9   0.998   8.335   3.907
   92   2HH1  ARG   9          2HH1      ARG   9   1.318   6.931   4.869
   93   1HH2  ARG   9          1HH2      ARG   9   0.869   4.708   2.246
   94   2HH2  ARG   9          2HH2      ARG   9   1.246   4.876   3.927
   95    H    ASP  10           H        ASP  10  -5.617   7.836   0.353
   96    HA   ASP  10           HA       ASP  10  -6.464   5.574   1.798
   97   1HB   ASP  10          1HB       ASP  10  -7.864   7.807   0.380
   98   2HB   ASP  10          2HB       ASP  10  -8.828   6.436   0.930
   99    H    LEU  11           H        LEU  11  -6.467   6.163  -1.687
  100    HA   LEU  11           HA       LEU  11  -8.172   3.938  -2.340
  101   1HB   LEU  11          1HB       LEU  11  -7.752   4.488  -4.550
  102   2HB   LEU  11          2HB       LEU  11  -7.338   6.016  -3.777
  103    HG   LEU  11           HG       LEU  11  -4.939   5.003  -3.606
  104   1HD1  LEU  11          1HD1      LEU  11  -6.393   3.005  -5.181
  105   2HD1  LEU  11          2HD1      LEU  11  -4.943   3.592  -5.993
  106   3HD1  LEU  11          3HD1      LEU  11  -4.825   2.879  -4.384
  107   1HD2  LEU  11          1HD2      LEU  11  -6.243   6.643  -5.452
  108   2HD2  LEU  11          2HD2      LEU  11  -4.497   6.459  -5.277
  109   3HD2  LEU  11          3HD2      LEU  11  -5.374   5.478  -6.452
  110    H    ARG  12           H        ARG  12  -4.699   4.368  -1.921
  111    HA   ARG  12           HA       ARG  12  -3.976   1.724  -2.807
  112   1HB   ARG  12          1HB       ARG  12  -2.660   4.073  -1.627
  113   2HB   ARG  12          2HB       ARG  12  -1.963   2.539  -1.107
  114   1HG   ARG  12          1HG       ARG  12  -2.554   2.577  -3.969
  115   2HG   ARG  12          2HG       ARG  12  -1.412   3.839  -3.501
  116   1HD   ARG  12          1HD       ARG  12  -0.454   1.729  -2.068
  117   2HD   ARG  12          2HD       ARG  12  -1.084   0.901  -3.490
  118    HE   ARG  12           HE       ARG  12   0.337   2.642  -4.798
  119   1HH1  ARG  12          1HH1      ARG  12   1.395   0.362  -2.666
  120   2HH1  ARG  12          2HH1      ARG  12   2.938   1.082  -2.345
  121   1HH2  ARG  12          1HH2      ARG  12   2.181   4.061  -3.948
  122   2HH2  ARG  12          2HH2      ARG  12   3.382   3.174  -3.070
  123    H    LYS  13           H        LYS  13  -4.930   3.172   0.246
  124    HA   LYS  13           HA       LYS  13  -4.082   1.192   2.064
  125   1HB   LYS  13          1HB       LYS  13  -5.732   3.467   2.139
  126   2HB   LYS  13          2HB       LYS  13  -6.753   2.142   2.696
  127   1HG   LYS  13          1HG       LYS  13  -5.119   1.525   4.388
  128   2HG   LYS  13          2HG       LYS  13  -3.984   2.730   3.776
  129   1HD   LYS  13          1HD       LYS  13  -4.915   4.259   5.136
  130   2HD   LYS  13          2HD       LYS  13  -6.433   4.081   4.256
  131   1HE   LYS  13          1HE       LYS  13  -6.154   1.819   5.974
  132   2HE   LYS  13          2HE       LYS  13  -5.839   3.265   6.932
  133   1HZ   LYS  13          1HZ       LYS  13  -8.124   3.253   5.090
  134   2HZ   LYS  13          2HZ       LYS  13  -8.262   2.424   6.567
  135   3HZ   LYS  13          3HZ       LYS  13  -7.922   4.086   6.556
  136    H    LEU  14           H        LEU  14  -6.779   1.184  -0.199
  137    HA   LEU  14           HA       LEU  14  -8.035  -1.156   0.952
  138   1HB   LEU  14          1HB       LEU  14  -8.529   0.671  -1.272
  139   2HB   LEU  14          2HB       LEU  14  -8.879  -1.007  -1.691
  140    HG   LEU  14           HG       LEU  14 -10.035  -0.975   0.718
  141   1HD1  LEU  14          1HD1      LEU  14 -10.230   1.892  -0.256
  142   2HD1  LEU  14          2HD1      LEU  14 -11.138   1.206   1.091
  143   3HD1  LEU  14          3HD1      LEU  14  -9.384   1.353   1.195
  144   1HD2  LEU  14          1HD2      LEU  14 -10.913  -0.517  -2.025
  145   2HD2  LEU  14          2HD2      LEU  14 -11.663  -1.494  -0.763
  146   3HD2  LEU  14          3HD2      LEU  14 -12.003   0.233  -0.859
  147    H    LYS  15           H        LYS  15  -6.537  -0.742  -2.267
  148    HA   LYS  15           HA       LYS  15  -6.254  -3.330  -3.081
  149   1HB   LYS  15          1HB       LYS  15  -4.790  -0.877  -3.553
  150   2HB   LYS  15          2HB       LYS  15  -3.694  -2.258  -3.566
  151   1HG   LYS  15          1HG       LYS  15  -6.116  -2.945  -4.967
  152   2HG   LYS  15          2HG       LYS  15  -5.459  -1.447  -5.627
  153   1HD   LYS  15          1HD       LYS  15  -3.852  -3.982  -5.195
  154   2HD   LYS  15          2HD       LYS  15  -4.527  -3.477  -6.744
  155   1HE   LYS  15          1HE       LYS  15  -3.205  -1.417  -6.683
  156   2HE   LYS  15          2HE       LYS  15  -2.574  -1.847  -5.094
  157   1HZ   LYS  15          1HZ       LYS  15  -2.262  -3.821  -7.214
  158   2HZ   LYS  15          2HZ       LYS  15  -1.305  -2.425  -7.329
  159   3HZ   LYS  15          3HZ       LYS  15  -1.208  -3.408  -5.947
  160    H    LYS  16           H        LYS  16  -4.560  -1.827  -0.425
  161    HA   LYS  16           HA       LYS  16  -2.502  -3.772  -0.075
  162   1HB   LYS  16          1HB       LYS  16  -3.662  -1.585   1.465
  163   2HB   LYS  16          2HB       LYS  16  -3.223  -2.949   2.497
  164   1HG   LYS  16          1HG       LYS  16  -1.126  -2.590   0.593
  165   2HG   LYS  16          2HG       LYS  16  -1.491  -1.014   1.296
  166   1HD   LYS  16          1HD       LYS  16  -1.523  -2.408   3.557
  167   2HD   LYS  16          2HD       LYS  16  -0.487  -3.496   2.632
  168   1HE   LYS  16          1HE       LYS  16   0.105  -0.559   2.575
  169   2HE   LYS  16          2HE       LYS  16   0.566  -1.490   4.001
  170   1HZ   LYS  16          1HZ       LYS  16   1.415  -3.087   2.039
  171   2HZ   LYS  16          2HZ       LYS  16   1.637  -1.567   1.312
  172   3HZ   LYS  16          3HZ       LYS  16   2.389  -1.921   2.794
  173    H    LYS  17           H        LYS  17  -5.703  -3.529   1.498
  174    HA   LYS  17           HA       LYS  17  -5.459  -6.193   2.634
  175   1HB   LYS  17          1HB       LYS  17  -7.535  -4.037   2.632
  176   2HB   LYS  17          2HB       LYS  17  -8.008  -5.672   3.092
  177   1HG   LYS  17          1HG       LYS  17  -5.679  -4.172   4.323
  178   2HG   LYS  17          2HG       LYS  17  -7.290  -4.262   5.040
  179   1HD   LYS  17          1HD       LYS  17  -6.289  -6.892   4.267
  180   2HD   LYS  17          2HD       LYS  17  -5.227  -6.093   5.426
  181   1HE   LYS  17          1HE       LYS  17  -7.609  -5.519   6.554
  182   2HE   LYS  17          2HE       LYS  17  -8.026  -7.039   5.764
  183   1HZ   LYS  17          1HZ       LYS  17  -5.670  -7.658   6.837
  184   2HZ   LYS  17          2HZ       LYS  17  -6.228  -6.536   7.984
  185   3HZ   LYS  17          3HZ       LYS  17  -7.153  -7.912   7.625
  186    H    ILE  18           H        ILE  18  -7.492  -4.724   0.068
  187    HA   ILE  18           HA       ILE  18  -8.937  -7.025  -0.632
  188    HB   ILE  18           HB       ILE  18  -9.783  -5.222  -1.742
  189   1HG1  ILE  18          1HG1      ILE  18  -7.625  -6.165  -3.640
  190   2HG1  ILE  18          2HG1      ILE  18  -9.309  -6.688  -3.594
  191   1HG2  ILE  18          1HG2      ILE  18  -6.957  -4.257  -1.663
  192   2HG2  ILE  18          2HG2      ILE  18  -8.090  -3.489  -2.777
  193   3HG2  ILE  18          3HG2      ILE  18  -8.419  -3.490  -1.045
  194   1HD1  ILE  18          1HD1      ILE  18  -9.483  -3.918  -3.822
  195   2HD1  ILE  18          2HD1      ILE  18  -8.130  -4.338  -4.873
  196   3HD1  ILE  18          3HD1      ILE  18  -9.712  -5.075  -5.134
  197    H    LYS  19           H        LYS  19  -5.846  -5.829  -1.975
  198    HA   LYS  19           HA       LYS  19  -5.450  -8.027  -3.751
  199   1HB   LYS  19          1HB       LYS  19  -4.173  -5.827  -3.749
  200   2HB   LYS  19          2HB       LYS  19  -3.262  -6.450  -2.372
  201   1HG   LYS  19          1HG       LYS  19  -1.872  -7.340  -3.926
  202   2HG   LYS  19          2HG       LYS  19  -3.136  -8.549  -4.155
  203   1HD   LYS  19          1HD       LYS  19  -4.171  -6.808  -5.800
  204   2HD   LYS  19          2HD       LYS  19  -2.558  -6.095  -5.799
  205   1HE   LYS  19          1HE       LYS  19  -1.782  -7.705  -7.168
  206   2HE   LYS  19          2HE       LYS  19  -2.373  -8.966  -6.087
  207   1HZ   LYS  19          1HZ       LYS  19  -4.584  -7.838  -7.340
  208   2HZ   LYS  19          2HZ       LYS  19  -3.435  -8.128  -8.553
  209   3HZ   LYS  19          3HZ       LYS  19  -3.952  -9.400  -7.553
  210    H    LYS  20           H        LYS  20  -5.184  -7.738  -0.336
  211    HA   LYS  20           HA       LYS  20  -3.323  -9.915   0.071
  212   1HB   LYS  20          1HB       LYS  20  -3.994  -7.978   1.692
  213   2HB   LYS  20          2HB       LYS  20  -5.342  -9.034   2.117
  214   1HG   LYS  20          1HG       LYS  20  -3.780 -10.834   2.699
  215   2HG   LYS  20          2HG       LYS  20  -2.415  -9.824   2.220
  216   1HD   LYS  20          1HD       LYS  20  -2.651  -8.398   4.049
  217   2HD   LYS  20          2HD       LYS  20  -4.358  -8.788   4.259
  218   1HE   LYS  20          1HE       LYS  20  -2.134 -10.786   4.735
  219   2HE   LYS  20          2HE       LYS  20  -2.824  -9.785   6.013
  220   1HZ   LYS  20          1HZ       LYS  20  -5.048 -10.723   5.043
  221   2HZ   LYS  20          2HZ       LYS  20  -4.043 -11.984   4.506
  222   3HZ   LYS  20          3HZ       LYS  20  -4.140 -11.623   6.161
  223    H    LEU  21           H        LEU  21  -6.864  -9.609   0.490
  224    HA   LEU  21           HA       LEU  21  -7.348 -12.326   1.122
  225   1HB   LEU  21          1HB       LEU  21  -9.617 -11.829   0.828
  226   2HB   LEU  21          2HB       LEU  21  -8.924 -10.252   1.192
  227    HG   LEU  21           HG       LEU  21  -8.663 -10.040  -1.396
  228   1HD1  LEU  21          1HD1      LEU  21  -9.972 -12.589  -1.138
  229   2HD1  LEU  21          2HD1      LEU  21 -11.056 -11.466  -1.957
  230   3HD1  LEU  21          3HD1      LEU  21  -9.446 -11.771  -2.608
  231   1HD2  LEU  21          1HD2      LEU  21 -10.245  -8.777   0.126
  232   2HD2  LEU  21          2HD2      LEU  21 -10.831  -8.993  -1.523
  233   3HD2  LEU  21          3HD2      LEU  21 -11.457 -10.011  -0.227
  234    H    GLU  22           H        GLU  22  -7.145 -10.685  -2.004
  235    HA   GLU  22           HA       GLU  22  -7.790 -13.127  -3.467
  236   1HB   GLU  22          1HB       GLU  22  -7.646 -11.800  -5.437
  237   2HB   GLU  22          2HB       GLU  22  -8.351 -10.739  -4.217
  238   1HG   GLU  22          1HG       GLU  22  -6.674  -9.286  -4.595
  239   2HG   GLU  22          2HG       GLU  22  -5.557 -10.479  -3.931
  240    H    GLU  23           H        GLU  23  -5.220 -12.604  -1.721
  241    HA   GLU  23           HA       GLU  23  -3.256 -13.379  -3.796
  242   1HB   GLU  23          1HB       GLU  23  -3.120 -11.624  -1.512
  243   2HB   GLU  23          2HB       GLU  23  -1.929 -12.916  -1.345
  244   1HG   GLU  23          1HG       GLU  23  -2.242 -11.003  -3.672
  245   2HG   GLU  23          2HG       GLU  23  -0.872 -11.133  -2.571
  246    H    ASP  24           H        ASP  24  -4.643 -14.300  -0.689
  247    HA   ASP  24           HA       ASP  24  -4.226 -17.091  -1.140
  248   1HB   ASP  24          1HB       ASP  24  -1.848 -16.409  -0.773
  249   2HB   ASP  24          2HB       ASP  24  -2.296 -15.840   0.834
  250    H    ASN  25           H        ASN  25  -6.155 -15.071  -0.056
  251    HA   ASN  25           HA       ASN  25  -6.668 -16.421   2.563
  252   1HB   ASN  25          1HB       ASN  25  -6.214 -13.654   2.067
  253   2HB   ASN  25          2HB       ASN  25  -7.921 -13.843   2.469
  254   1HD2  ASN  25          2HD2      ASN  25  -5.237 -15.886   3.666
  255   2HD2  ASN  25          1HD2      ASN  25  -5.433 -15.466   5.299
  256    HA   PRO  26           HA       PRO  26 -10.667 -17.297   0.992
  257   1HB   PRO  26          1HB       PRO  26 -12.103 -17.283   3.337
  258   2HB   PRO  26          2HB       PRO  26 -10.990 -18.582   2.880
  259   1HG   PRO  26          1HG       PRO  26 -10.624 -16.422   4.903
  260   2HG   PRO  26          2HG       PRO  26  -9.892 -18.035   4.839
  261   1HD   PRO  26          1HD       PRO  26  -8.628 -15.611   4.103
  262   2HD   PRO  26          2HD       PRO  26  -8.043 -17.248   3.734
  263    H    TRP  27           H        TRP  27 -11.431 -15.110   3.709
  264    HA   TRP  27           HA       TRP  27 -13.486 -13.728   2.286
  265   1HB   TRP  27          1HB       TRP  27 -11.902 -13.122   4.777
  266   2HB   TRP  27          2HB       TRP  27 -13.055 -11.950   4.136
  267    HD1  TRP  27           HD1      TRP  27 -13.124 -15.775   4.773
  268    HE1  TRP  27           HE1      TRP  27 -15.385 -16.358   5.867
  269    HE3  TRP  27           HE3      TRP  27 -15.234 -11.130   4.962
  270    HZ2  TRP  27           HZ2      TRP  27 -17.773 -15.026   6.713
  271    HZ3  TRP  27           HZ3      TRP  27 -17.498 -10.814   5.918
  272    HH2  TRP  27           HH2      TRP  27 -18.770 -12.754   6.792
  Start of MODEL   17
    1   1H    ARG   1          1H        ARG   1  -2.616  22.328   1.612
    2   2H    ARG   1          2H        ARG   1  -3.990  22.837   0.758
    3   3H    ARG   1          3H        ARG   1  -3.787  23.287   2.383
    4    HA   ARG   1           HA       ARG   1  -4.191  21.138   3.171
    5   1HB   ARG   1          1HB       ARG   1  -6.101  22.523   1.853
    6   2HB   ARG   1          2HB       ARG   1  -6.102  21.042   0.895
    7   1HG   ARG   1          1HG       ARG   1  -7.008  19.813   2.575
    8   2HG   ARG   1          2HG       ARG   1  -6.011  20.592   3.805
    9   1HD   ARG   1          1HD       ARG   1  -8.033  21.492   4.419
   10   2HD   ARG   1          2HD       ARG   1  -7.607  22.668   3.176
   11    HE   ARG   1           HE       ARG   1  -9.704  20.629   2.974
   12   1HH1  ARG   1          1HH1      ARG   1  -8.681  23.568   1.848
   13   2HH1  ARG   1          2HH1      ARG   1  -9.118  23.311   0.193
   14   1HH2  ARG   1          1HH2      ARG   1  -9.789  19.935   0.616
   15   2HH2  ARG   1          2HH2      ARG   1  -9.746  21.254  -0.505
   16    H    LYS   2           H        LYS   2  -2.780  19.444   2.875
   17    HA   LYS   2           HA       LYS   2  -2.263  18.364   0.200
   18   1HB   LYS   2          1HB       LYS   2  -0.900  16.668   1.492
   19   2HB   LYS   2          2HB       LYS   2  -0.411  18.345   1.735
   20   1HG   LYS   2          1HG       LYS   2  -2.406  17.861   3.662
   21   2HG   LYS   2          2HG       LYS   2  -1.376  16.431   3.682
   22   1HD   LYS   2          1HD       LYS   2   0.044  17.636   4.963
   23   2HD   LYS   2          2HD       LYS   2   0.438  18.530   3.494
   24   1HE   LYS   2          1HE       LYS   2  -1.193  20.223   3.985
   25   2HE   LYS   2          2HE       LYS   2  -1.882  19.263   5.294
   26   1HZ   LYS   2          1HZ       LYS   2   0.534  19.385   6.207
   27   2HZ   LYS   2          2HZ       LYS   2   0.643  20.760   5.212
   28   3HZ   LYS   2          3HZ       LYS   2  -0.530  20.686   6.441
   29    H    LYS   3           H        LYS   3  -4.975  18.174   0.653
   30    HA   LYS   3           HA       LYS   3  -5.561  15.501   1.651
   31   1HB   LYS   3          1HB       LYS   3  -7.048  17.827   1.469
   32   2HB   LYS   3          2HB       LYS   3  -7.693  16.840   0.156
   33   1HG   LYS   3          1HG       LYS   3  -8.357  15.116   1.610
   34   2HG   LYS   3          2HG       LYS   3  -7.277  15.658   2.894
   35   1HD   LYS   3          1HD       LYS   3  -9.099  17.783   2.206
   36   2HD   LYS   3          2HD       LYS   3 -10.008  16.315   2.565
   37   1HE   LYS   3          1HE       LYS   3  -9.521  17.748   4.586
   38   2HE   LYS   3          2HE       LYS   3  -8.935  16.090   4.715
   39   1HZ   LYS   3          1HZ       LYS   3  -7.164  18.148   3.601
   40   2HZ   LYS   3          2HZ       LYS   3  -7.384  18.080   5.286
   41   3HZ   LYS   3          3HZ       LYS   3  -6.771  16.733   4.456
   42    H    LEU   4           H        LEU   4  -3.939  16.204  -0.819
   43    HA   LEU   4           HA       LEU   4  -5.472  14.849  -2.927
   44   1HB   LEU   4          1HB       LEU   4  -3.743  16.872  -3.158
   45   2HB   LEU   4          2HB       LEU   4  -2.585  15.546  -3.259
   46    HG   LEU   4           HG       LEU   4  -3.382  16.168  -5.504
   47   1HD1  LEU   4          1HD1      LEU   4  -2.984  13.709  -4.683
   48   2HD1  LEU   4          2HD1      LEU   4  -4.733  13.558  -4.860
   49   3HD1  LEU   4          3HD1      LEU   4  -3.738  13.979  -6.255
   50   1HD2  LEU   4          1HD2      LEU   4  -5.846  16.470  -4.159
   51   2HD2  LEU   4          2HD2      LEU   4  -5.546  16.687  -5.882
   52   3HD2  LEU   4          3HD2      LEU   4  -6.074  15.120  -5.271
   53    H    GLU   5           H        GLU   5  -2.097  14.448  -1.823
   54    HA   GLU   5           HA       GLU   5  -1.986  11.690  -2.513
   55   1HB   GLU   5          1HB       GLU   5   0.114  11.670  -1.395
   56   2HB   GLU   5          2HB       GLU   5  -0.049  13.315  -2.010
   57   1HG   GLU   5          1HG       GLU   5   0.234  14.068   0.091
   58   2HG   GLU   5          2HG       GLU   5  -1.302  13.316   0.517
   59    H    GLU   6           H        GLU   6  -3.250  13.412   0.222
   60    HA   GLU   6           HA       GLU   6  -3.256  11.339   2.168
   61   1HB   GLU   6          1HB       GLU   6  -4.515  13.931   1.794
   62   2HB   GLU   6          2HB       GLU   6  -5.641  12.782   2.519
   63   1HG   GLU   6          1HG       GLU   6  -2.817  13.057   3.542
   64   2HG   GLU   6          2HG       GLU   6  -4.105  14.118   4.115
   65    H    LEU   7           H        LEU   7  -5.938  12.345   0.008
   66    HA   LEU   7           HA       LEU   7  -7.510  10.018   0.571
   67   1HB   LEU   7          1HB       LEU   7  -7.597  12.243  -1.415
   68   2HB   LEU   7          2HB       LEU   7  -8.547  10.797  -1.759
   69    HG   LEU   7           HG       LEU   7  -9.544  12.794  -0.302
   70   1HD1  LEU   7          1HD1      LEU   7  -9.896   9.845  -0.239
   71   2HD1  LEU   7          2HD1      LEU   7 -10.667  10.746   1.068
   72   3HD1  LEU   7          3HD1      LEU   7 -11.068  11.109  -0.611
   73   1HD2  LEU   7          1HD2      LEU   7  -7.558  12.440   1.329
   74   2HD2  LEU   7          2HD2      LEU   7  -9.169  12.597   2.027
   75   3HD2  LEU   7          3HD2      LEU   7  -8.433  11.004   1.861
   76    H    GLU   8           H        GLU   8  -5.502  10.884  -2.277
   77    HA   GLU   8           HA       GLU   8  -5.859   8.627  -3.842
   78   1HB   GLU   8          1HB       GLU   8  -3.898   9.204  -4.912
   79   2HB   GLU   8          2HB       GLU   8  -4.124  10.680  -3.976
   80   1HG   GLU   8          1HG       GLU   8  -1.910  10.129  -3.470
   81   2HG   GLU   8          2HG       GLU   8  -2.780   9.388  -2.127
   82    H    ARG   9           H        ARG   9  -4.279   8.861  -0.750
   83    HA   ARG   9           HA       ARG   9  -3.092   6.208  -0.874
   84   1HB   ARG   9          1HB       ARG   9  -3.308   8.400   1.127
   85   2HB   ARG   9          2HB       ARG   9  -3.098   6.767   1.761
   86   1HG   ARG   9          1HG       ARG   9  -1.068   6.455   0.506
   87   2HG   ARG   9          2HG       ARG   9  -1.329   7.948  -0.397
   88   1HD   ARG   9          1HD       ARG   9   0.339   8.266   1.403
   89   2HD   ARG   9          2HD       ARG   9  -1.094   9.256   1.673
   90    HE   ARG   9           HE       ARG   9  -0.655   6.657   3.089
   91   1HH1  ARG   9          1HH2      ARG   9   0.069   9.564   4.075
   92   2HH1  ARG   9          2HH2      ARG   9  -1.221   9.806   5.202
   93   1HH2  ARG   9          1HH1      ARG   9  -3.086   7.121   4.047
   94   2HH2  ARG   9          2HH1      ARG   9  -3.009   8.421   5.187
   95    H    ASP  10           H        ASP  10  -5.926   7.718   0.652
   96    HA   ASP  10           HA       ASP  10  -6.915   5.480   2.055
   97   1HB   ASP  10          1HB       ASP  10  -7.910   8.049   1.224
   98   2HB   ASP  10          2HB       ASP  10  -9.149   6.828   0.935
   99    H    LEU  11           H        LEU  11  -7.179   6.296  -1.387
  100    HA   LEU  11           HA       LEU  11  -9.056   4.215  -2.018
  101   1HB   LEU  11          1HB       LEU  11  -8.694   4.807  -4.254
  102   2HB   LEU  11          2HB       LEU  11  -8.263   6.299  -3.418
  103    HG   LEU  11           HG       LEU  11  -5.864   5.184  -3.346
  104   1HD1  LEU  11          1HD1      LEU  11  -7.412   3.513  -5.208
  105   2HD1  LEU  11          2HD1      LEU  11  -5.897   4.113  -5.877
  106   3HD1  LEU  11          3HD1      LEU  11  -5.891   3.168  -4.387
  107   1HD2  LEU  11          1HD2      LEU  11  -7.110   7.133  -4.887
  108   2HD2  LEU  11          2HD2      LEU  11  -5.374   6.827  -4.824
  109   3HD2  LEU  11          3HD2      LEU  11  -6.357   6.084  -6.088
  110    H    ARG  12           H        ARG  12  -5.582   4.429  -1.731
  111    HA   ARG  12           HA       ARG  12  -5.042   1.797  -2.811
  112   1HB   ARG  12          1HB       ARG  12  -3.509   3.991  -1.516
  113   2HB   ARG  12          2HB       ARG  12  -2.827   2.370  -1.383
  114   1HG   ARG  12          1HG       ARG  12  -2.617   2.133  -3.713
  115   2HG   ARG  12          2HG       ARG  12  -3.789   3.411  -4.039
  116   1HD   ARG  12          1HD       ARG  12  -1.835   4.573  -4.456
  117   2HD   ARG  12          2HD       ARG  12  -2.003   4.889  -2.729
  118    HE   ARG  12           HE       ARG  12  -0.338   2.600  -3.677
  119   1HH1  ARG  12          1HH1      ARG  12  -0.405   5.829  -2.585
  120   2HH1  ARG  12          2HH1      ARG  12   0.949   5.654  -1.518
  121   1HH2  ARG  12          1HH2      ARG  12   1.248   2.238  -2.026
  122   2HH2  ARG  12          2HH2      ARG  12   1.884   3.622  -1.201
  123    H    LYS  13           H        LYS  13  -5.935   3.117   0.271
  124    HA   LYS  13           HA       LYS  13  -4.940   1.109   2.010
  125   1HB   LYS  13          1HB       LYS  13  -6.477   3.386   2.304
  126   2HB   LYS  13          2HB       LYS  13  -7.618   2.101   2.698
  127   1HG   LYS  13          1HG       LYS  13  -6.383   1.375   4.523
  128   2HG   LYS  13          2HG       LYS  13  -4.862   1.979   3.866
  129   1HD   LYS  13          1HD       LYS  13  -6.809   4.113   4.329
  130   2HD   LYS  13          2HD       LYS  13  -6.394   3.241   5.805
  131   1HE   LYS  13          1HE       LYS  13  -4.002   3.593   5.359
  132   2HE   LYS  13          2HE       LYS  13  -4.396   4.433   3.860
  133   1HZ   LYS  13          1HZ       LYS  13  -5.429   5.305   6.494
  134   2HZ   LYS  13          2HZ       LYS  13  -3.960   5.874   5.857
  135   3HZ   LYS  13          3HZ       LYS  13  -5.414   6.175   5.035
  136    H    LEU  14           H        LEU  14  -7.526   1.071  -0.299
  137    HA   LEU  14           HA       LEU  14  -8.887  -1.224   0.849
  138   1HB   LEU  14          1HB       LEU  14  -9.376   0.651  -1.246
  139   2HB   LEU  14          2HB       LEU  14  -9.419  -0.964  -1.952
  140    HG   LEU  14           HG       LEU  14 -10.784  -1.174   0.505
  141   1HD1  LEU  14          1HD1      LEU  14 -11.502   1.330  -1.040
  142   2HD1  LEU  14          2HD1      LEU  14 -12.592   0.556   0.111
  143   3HD1  LEU  14          3HD1      LEU  14 -11.051   1.214   0.660
  144   1HD2  LEU  14          1HD2      LEU  14 -11.252  -2.377  -1.620
  145   2HD2  LEU  14          2HD2      LEU  14 -12.708  -1.639  -0.952
  146   3HD2  LEU  14          3HD2      LEU  14 -11.878  -0.880  -2.311
  147    H    LYS  15           H        LYS  15  -7.385  -0.918  -2.361
  148    HA   LYS  15           HA       LYS  15  -6.970  -3.593  -2.923
  149   1HB   LYS  15          1HB       LYS  15  -5.406  -2.916  -4.533
  150   2HB   LYS  15          2HB       LYS  15  -6.370  -1.460  -4.294
  151   1HG   LYS  15          1HG       LYS  15  -4.682  -0.646  -2.652
  152   2HG   LYS  15          2HG       LYS  15  -3.696  -2.068  -3.002
  153   1HD   LYS  15          1HD       LYS  15  -4.027  -1.252  -5.510
  154   2HD   LYS  15          2HD       LYS  15  -4.272   0.308  -4.725
  155   1HE   LYS  15          1HE       LYS  15  -2.057   0.529  -4.405
  156   2HE   LYS  15          2HE       LYS  15  -2.012  -0.998  -3.523
  157   1HZ   LYS  15          1HZ       LYS  15  -2.003  -0.795  -6.482
  158   2HZ   LYS  15          2HZ       LYS  15  -0.599  -0.940  -5.546
  159   3HZ   LYS  15          3HZ       LYS  15  -1.748  -2.191  -5.549
  160    H    LYS  16           H        LYS  16  -5.379  -1.709  -0.494
  161    HA   LYS  16           HA       LYS  16  -2.972  -3.189  -0.201
  162   1HB   LYS  16          1HB       LYS  16  -4.509  -1.271   1.373
  163   2HB   LYS  16          2HB       LYS  16  -3.719  -2.479   2.387
  164   1HG   LYS  16          1HG       LYS  16  -1.707  -1.925   0.650
  165   2HG   LYS  16          2HG       LYS  16  -2.523  -0.361   0.694
  166   1HD   LYS  16          1HD       LYS  16  -0.994  -0.221   2.481
  167   2HD   LYS  16          2HD       LYS  16  -2.504  -0.671   3.273
  168   1HE   LYS  16          1HE       LYS  16  -0.961  -2.183   4.198
  169   2HE   LYS  16          2HE       LYS  16  -1.702  -3.120   2.900
  170   1HZ   LYS  16          1HZ       LYS  16   0.207  -2.142   1.496
  171   2HZ   LYS  16          2HZ       LYS  16   0.959  -1.866   2.994
  172   3HZ   LYS  16          3HZ       LYS  16   0.535  -3.443   2.539
  173    H    LYS  17           H        LYS  17  -6.137  -3.647   1.410
  174    HA   LYS  17           HA       LYS  17  -5.211  -6.183   2.546
  175   1HB   LYS  17          1HB       LYS  17  -7.096  -4.283   3.319
  176   2HB   LYS  17          2HB       LYS  17  -8.065  -5.660   2.793
  177   1HG   LYS  17          1HG       LYS  17  -7.671  -6.344   4.952
  178   2HG   LYS  17          2HG       LYS  17  -6.203  -6.982   4.211
  179   1HD   LYS  17          1HD       LYS  17  -5.290  -4.540   4.718
  180   2HD   LYS  17          2HD       LYS  17  -6.554  -4.572   5.948
  181   1HE   LYS  17          1HE       LYS  17  -5.629  -6.729   6.792
  182   2HE   LYS  17          2HE       LYS  17  -4.318  -6.591   5.621
  183   1HZ   LYS  17          1HZ       LYS  17  -3.860  -4.359   6.652
  184   2HZ   LYS  17          2HZ       LYS  17  -4.916  -4.805   7.907
  185   3HZ   LYS  17          3HZ       LYS  17  -3.506  -5.706   7.626
  186    H    ILE  18           H        ILE  18  -7.750  -5.124   0.264
  187    HA   ILE  18           HA       ILE  18  -8.774  -7.645  -0.403
  188    HB   ILE  18           HB       ILE  18 -10.040  -6.021  -1.388
  189   1HG1  ILE  18          1HG1      ILE  18  -7.888  -6.485  -3.460
  190   2HG1  ILE  18          2HG1      ILE  18  -9.452  -7.292  -3.338
  191   1HG2  ILE  18          1HG2      ILE  18  -7.460  -4.513  -1.467
  192   2HG2  ILE  18          2HG2      ILE  18  -8.814  -3.947  -2.444
  193   3HG2  ILE  18          3HG2      ILE  18  -8.983  -4.079  -0.694
  194   1HD1  ILE  18          1HD1      ILE  18  -9.977  -4.506  -3.428
  195   2HD1  ILE  18          2HD1      ILE  18  -8.795  -4.838  -4.694
  196   3HD1  ILE  18          3HD1      ILE  18 -10.332  -5.702  -4.674
  197    H    LYS  19           H        LYS  19  -6.047  -5.864  -1.874
  198    HA   LYS  19           HA       LYS  19  -5.414  -7.918  -3.770
  199   1HB   LYS  19          1HB       LYS  19  -4.587  -5.549  -3.899
  200   2HB   LYS  19          2HB       LYS  19  -3.515  -5.901  -2.543
  201   1HG   LYS  19          1HG       LYS  19  -2.061  -6.410  -4.245
  202   2HG   LYS  19          2HG       LYS  19  -2.869  -7.973  -4.130
  203   1HD   LYS  19          1HD       LYS  19  -3.953  -7.704  -6.117
  204   2HD   LYS  19          2HD       LYS  19  -4.233  -5.984  -5.843
  205   1HE   LYS  19          1HE       LYS  19  -2.593  -5.614  -7.354
  206   2HE   LYS  19          2HE       LYS  19  -1.470  -6.158  -6.109
  207   1HZ   LYS  19          1HZ       LYS  19  -2.850  -8.029  -7.943
  208   2HZ   LYS  19          2HZ       LYS  19  -1.338  -7.342  -8.304
  209   3HZ   LYS  19          3HZ       LYS  19  -1.510  -8.340  -6.944
  210    H    LYS  20           H        LYS  20  -4.888  -7.575  -0.384
  211    HA   LYS  20           HA       LYS  20  -2.594  -9.295  -0.148
  212   1HB   LYS  20          1HB       LYS  20  -3.245  -7.759   1.658
  213   2HB   LYS  20          2HB       LYS  20  -4.757  -8.641   1.874
  214   1HG   LYS  20          1HG       LYS  20  -3.381 -10.710   2.334
  215   2HG   LYS  20          2HG       LYS  20  -1.951  -9.678   2.344
  216   1HD   LYS  20          1HD       LYS  20  -3.990  -8.495   3.998
  217   2HD   LYS  20          2HD       LYS  20  -3.733 -10.169   4.493
  218   1HE   LYS  20          1HE       LYS  20  -2.203  -8.608   5.674
  219   2HE   LYS  20          2HE       LYS  20  -1.322  -9.770   4.682
  220   1HZ   LYS  20          1HZ       LYS  20  -2.027  -7.008   3.850
  221   2HZ   LYS  20          2HZ       LYS  20  -0.499  -7.498   4.407
  222   3HZ   LYS  20          3HZ       LYS  20  -1.117  -8.123   2.953
  223    H    LEU  21           H        LEU  21  -6.072  -9.927   0.539
  224    HA   LEU  21           HA       LEU  21  -5.733 -12.722   0.907
  225   1HB   LEU  21          1HB       LEU  21  -8.163 -12.837   0.606
  226   2HB   LEU  21          2HB       LEU  21  -7.729 -11.461   1.616
  227    HG   LEU  21           HG       LEU  21  -7.668 -10.282  -0.812
  228   1HD1  LEU  21          1HD1      LEU  21  -9.557 -12.624  -0.976
  229   2HD1  LEU  21          2HD1      LEU  21  -9.880 -11.146  -1.881
  230   3HD1  LEU  21          3HD1      LEU  21  -8.401 -12.058  -2.180
  231   1HD2  LEU  21          1HD2      LEU  21  -9.712 -10.623   1.315
  232   2HD2  LEU  21          2HD2      LEU  21  -8.978  -9.148   0.688
  233   3HD2  LEU  21          3HD2      LEU  21 -10.284  -9.930  -0.203
  234    H    GLU  22           H        GLU  22  -6.453 -10.803  -1.983
  235    HA   GLU  22           HA       GLU  22  -6.837 -13.048  -3.730
  236   1HB   GLU  22          1HB       GLU  22  -6.065 -10.169  -4.260
  237   2HB   GLU  22          2HB       GLU  22  -6.363 -11.340  -5.545
  238   1HG   GLU  22          1HG       GLU  22  -8.599 -11.764  -4.178
  239   2HG   GLU  22          2HG       GLU  22  -8.291 -10.126  -3.602
  240    H    GLU  23           H        GLU  23  -4.051 -11.658  -2.297
  241    HA   GLU  23           HA       GLU  23  -2.059 -12.149  -4.244
  242   1HB   GLU  23          1HB       GLU  23  -2.032 -11.208  -1.694
  243   2HB   GLU  23          2HB       GLU  23  -1.356 -12.818  -1.444
  244   1HG   GLU  23          1HG       GLU  23   0.610 -11.842  -2.045
  245   2HG   GLU  23          2HG       GLU  23  -0.008 -12.017  -3.687
  246    H    ASP  24           H        ASP  24  -3.628 -14.326  -1.939
  247    HA   ASP  24           HA       ASP  24  -1.921 -16.589  -2.547
  248   1HB   ASP  24          1HB       ASP  24  -3.452 -16.188  -0.474
  249   2HB   ASP  24          2HB       ASP  24  -4.737 -16.824  -1.501
  250    H    ASN  25           H        ASN  25  -2.031 -16.431  -4.934
  251    HA   ASN  25           HA       ASN  25  -4.414 -16.667  -6.442
  252   1HB   ASN  25          1HB       ASN  25  -1.556 -17.489  -6.938
  253   2HB   ASN  25          2HB       ASN  25  -2.814 -17.807  -8.133
  254   1HD2  ASN  25          2HD2      ASN  25  -2.093 -16.225  -9.689
  255   2HD2  ASN  25          1HD2      ASN  25  -2.140 -14.557  -9.378
  256    HA   PRO  26           HA       PRO  26  -5.604 -20.799  -5.451
  257   1HB   PRO  26          1HB       PRO  26  -7.543 -21.025  -7.387
  258   2HB   PRO  26          2HB       PRO  26  -7.764 -20.119  -5.881
  259   1HG   PRO  26          1HG       PRO  26  -7.318 -19.087  -8.643
  260   2HG   PRO  26          2HG       PRO  26  -8.139 -18.314  -7.276
  261   1HD   PRO  26          1HD       PRO  26  -5.510 -17.752  -8.166
  262   2HD   PRO  26          2HD       PRO  26  -6.222 -17.239  -6.620
  263    H    TRP  27           H        TRP  27  -6.017 -20.495  -8.979
  264    HA   TRP  27           HA       TRP  27  -4.349 -22.939  -9.299
  265   1HB   TRP  27          1HB       TRP  27  -6.782 -22.449 -10.318
  266   2HB   TRP  27          2HB       TRP  27  -5.810 -21.723 -11.599
  267    HD1  TRP  27           HD1      TRP  27  -4.557 -24.732  -9.622
  268    HE1  TRP  27           HE1      TRP  27  -4.383 -26.755 -11.209
  269    HE3  TRP  27           HE3      TRP  27  -6.758 -22.773 -13.791
  270    HZ2  TRP  27           HZ2      TRP  27  -5.085 -27.451 -13.893
  271    HZ3  TRP  27           HZ3      TRP  27  -6.994 -24.135 -15.847
  272    HH2  TRP  27           HH2      TRP  27  -6.160 -26.469 -15.904
  Start of MODEL   18
    1   1H    ARG   1          1H        ARG   1  -3.806  22.882   0.174
    2   2H    ARG   1          2H        ARG   1  -4.807  22.658  -1.180
    3   3H    ARG   1          3H        ARG   1  -5.309  23.665   0.093
    4    HA   ARG   1           HA       ARG   1  -5.470  21.800   1.584
    5   1HB   ARG   1          1HB       ARG   1  -7.176  22.372  -0.494
    6   2HB   ARG   1          2HB       ARG   1  -6.876  20.650  -0.732
    7   1HG   ARG   1          1HG       ARG   1  -7.397  20.301   1.711
    8   2HG   ARG   1          2HG       ARG   1  -7.895  21.992   1.785
    9   1HD   ARG   1          1HD       ARG   1  -9.141  19.744   0.200
   10   2HD   ARG   1          2HD       ARG   1  -9.906  20.802   1.385
   11    HE   ARG   1           HE       ARG   1  -8.886  21.970  -1.161
   12   1HH1  ARG   1          1HH2      ARG   1 -11.563  20.409  -1.136
   13   2HH1  ARG   1          2HH2      ARG   1 -12.682  21.721  -0.970
   14   1HH2  ARG   1          1HH1      ARG   1 -10.262  24.012  -0.010
   15   2HH2  ARG   1          2HH1      ARG   1 -11.945  23.760  -0.333
   16    H    LYS   2           H        LYS   2  -4.268  20.057   2.158
   17    HA   LYS   2           HA       LYS   2  -2.834  18.546   0.068
   18   1HB   LYS   2          1HB       LYS   2  -2.775  18.106   3.063
   19   2HB   LYS   2          2HB       LYS   2  -1.595  17.547   1.876
   20   1HG   LYS   2          1HG       LYS   2  -0.447  19.449   2.263
   21   2HG   LYS   2          2HG       LYS   2  -1.761  20.315   1.463
   22   1HD   LYS   2          1HD       LYS   2  -1.241  21.171   3.772
   23   2HD   LYS   2          2HD       LYS   2  -2.911  20.642   3.568
   24   1HE   LYS   2          1HE       LYS   2  -2.621  18.756   4.876
   25   2HE   LYS   2          2HE       LYS   2  -0.902  18.635   4.505
   26   1HZ   LYS   2          1HZ       LYS   2  -1.484  21.065   5.850
   27   2HZ   LYS   2          2HZ       LYS   2  -2.037  19.738   6.756
   28   3HZ   LYS   2          3HZ       LYS   2  -0.406  19.830   6.287
   29    H    LYS   3           H        LYS   3  -5.697  18.286   0.135
   30    HA   LYS   3           HA       LYS   3  -6.178  15.648   1.298
   31   1HB   LYS   3          1HB       LYS   3  -7.880  17.802   0.151
   32   2HB   LYS   3          2HB       LYS   3  -8.480  16.149   0.010
   33   1HG   LYS   3          1HG       LYS   3  -7.822  16.000   2.555
   34   2HG   LYS   3          2HG       LYS   3  -7.938  17.759   2.485
   35   1HD   LYS   3          1HD       LYS   3 -10.195  17.709   2.370
   36   2HD   LYS   3          2HD       LYS   3 -10.183  16.427   1.159
   37   1HE   LYS   3          1HE       LYS   3  -9.738  14.766   2.950
   38   2HE   LYS   3          2HE       LYS   3  -9.821  16.059   4.148
   39   1HZ   LYS   3          1HZ       LYS   3 -12.059  15.817   2.292
   40   2HZ   LYS   3          2HZ       LYS   3 -11.915  14.611   3.479
   41   3HZ   LYS   3          3HZ       LYS   3 -12.052  16.242   3.935
   42    H    LEU   4           H        LEU   4  -4.410  16.322  -1.060
   43    HA   LEU   4           HA       LEU   4  -5.678  14.790  -3.224
   44   1HB   LEU   4          1HB       LEU   4  -4.377  16.739  -3.893
   45   2HB   LEU   4          2HB       LEU   4  -2.972  16.138  -3.015
   46    HG   LEU   4           HG       LEU   4  -3.091  15.735  -5.586
   47   1HD1  LEU   4          1HD1      LEU   4  -1.721  14.534  -3.599
   48   2HD1  LEU   4          2HD1      LEU   4  -2.648  13.151  -4.178
   49   3HD1  LEU   4          3HD1      LEU   4  -1.590  14.026  -5.283
   50   1HD2  LEU   4          1HD2      LEU   4  -5.416  14.873  -5.571
   51   2HD2  LEU   4          2HD2      LEU   4  -4.292  13.672  -6.204
   52   3HD2  LEU   4          3HD2      LEU   4  -4.904  13.525  -4.557
   53    H    GLU   5           H        GLU   5  -2.440  14.644  -1.722
   54    HA   GLU   5           HA       GLU   5  -2.045  11.887  -2.307
   55   1HB   GLU   5          1HB       GLU   5  -0.859  13.646  -0.140
   56   2HB   GLU   5          2HB       GLU   5  -0.230  12.066  -0.612
   57   1HG   GLU   5          1HG       GLU   5  -0.397  13.305  -3.039
   58   2HG   GLU   5          2HG       GLU   5  -0.011  14.670  -1.989
   59    H    GLU   6           H        GLU   6  -3.750  13.602   0.180
   60    HA   GLU   6           HA       GLU   6  -3.886  11.684   2.239
   61   1HB   GLU   6          1HB       GLU   6  -5.277  14.081   1.487
   62   2HB   GLU   6          2HB       GLU   6  -6.464  12.864   1.957
   63   1HG   GLU   6          1HG       GLU   6  -4.440  12.586   3.851
   64   2HG   GLU   6          2HG       GLU   6  -4.561  14.330   3.615
   65    H    LEU   7           H        LEU   7  -6.239  12.135  -0.434
   66    HA   LEU   7           HA       LEU   7  -7.576   9.653   0.108
   67   1HB   LEU   7          1HB       LEU   7  -7.583  11.633  -2.152
   68   2HB   LEU   7          2HB       LEU   7  -8.404  10.080  -2.338
   69    HG   LEU   7           HG       LEU   7  -9.759  12.095  -1.387
   70   1HD1  LEU   7          1HD1      LEU   7 -10.132   9.445  -1.291
   71   2HD1  LEU   7          2HD1      LEU   7  -9.922   9.734   0.435
   72   3HD1  LEU   7          3HD1      LEU   7 -11.207  10.559  -0.447
   73   1HD2  LEU   7          1HD2      LEU   7  -7.969  12.676   0.284
   74   2HD2  LEU   7          2HD2      LEU   7  -9.554  12.421   1.014
   75   3HD2  LEU   7          3HD2      LEU   7  -8.321  11.163   1.118
   76    H    GLU   8           H        GLU   8  -5.132  10.629  -2.313
   77    HA   GLU   8           HA       GLU   8  -4.900   8.315  -3.820
   78   1HB   GLU   8          1HB       GLU   8  -2.737  10.104  -2.682
   79   2HB   GLU   8          2HB       GLU   8  -2.372   8.782  -3.791
   80   1HG   GLU   8          1HG       GLU   8  -4.574  10.581  -4.628
   81   2HG   GLU   8          2HG       GLU   8  -2.963  11.297  -4.623
   82    H    ARG   9           H        ARG   9  -4.014   8.814  -0.472
   83    HA   ARG   9           HA       ARG   9  -2.631   6.274  -0.201
   84   1HB   ARG   9          1HB       ARG   9  -3.565   8.430   1.668
   85   2HB   ARG   9          2HB       ARG   9  -3.119   6.855   2.324
   86   1HG   ARG   9          1HG       ARG   9  -0.898   7.010   1.421
   87   2HG   ARG   9          2HG       ARG   9  -1.324   8.429   0.463
   88   1HD   ARG   9          1HD       ARG   9  -1.461   9.822   2.367
   89   2HD   ARG   9          2HD       ARG   9  -1.561   8.449   3.470
   90    HE   ARG   9           HE       ARG   9   0.943   8.862   1.914
   91   1HH1  ARG   9          1HH1      ARG   9  -0.341   7.407   4.600
   92   2HH1  ARG   9          2HH1      ARG   9   0.849   7.978   5.721
   93   1HH2  ARG   9          1HH2      ARG   9   2.289  10.190   3.474
   94   2HH2  ARG   9          2HH2      ARG   9   2.339   9.554   5.083
   95    H    ASP  10           H        ASP  10  -5.837   7.567   0.632
   96    HA   ASP  10           HA       ASP  10  -6.889   5.246   1.866
   97   1HB   ASP  10          1HB       ASP  10  -7.876   7.762   0.973
   98   2HB   ASP  10          2HB       ASP  10  -8.935   6.517   0.311
   99    H    LEU  11           H        LEU  11  -6.086   5.842  -1.441
  100    HA   LEU  11           HA       LEU  11  -7.905   3.881  -2.559
  101   1HB   LEU  11          1HB       LEU  11  -7.013   4.484  -4.607
  102   2HB   LEU  11          2HB       LEU  11  -6.600   5.920  -3.675
  103    HG   LEU  11           HG       LEU  11  -4.404   4.619  -3.111
  104   1HD1  LEU  11          1HD1      LEU  11  -5.664   2.661  -4.592
  105   2HD1  LEU  11          2HD1      LEU  11  -4.579   3.391  -5.776
  106   3HD1  LEU  11          3HD1      LEU  11  -3.931   2.730  -4.275
  107   1HD2  LEU  11          1HD2      LEU  11  -4.839   6.655  -4.690
  108   2HD2  LEU  11          2HD2      LEU  11  -3.326   5.763  -4.856
  109   3HD2  LEU  11          3HD2      LEU  11  -4.647   5.477  -5.988
  110    H    ARG  12           H        ARG  12  -4.576   3.957  -1.444
  111    HA   ARG  12           HA       ARG  12  -4.064   1.200  -2.249
  112   1HB   ARG  12          1HB       ARG  12  -2.527   3.403  -0.938
  113   2HB   ARG  12          2HB       ARG  12  -1.967   1.746  -0.709
  114   1HG   ARG  12          1HG       ARG  12  -2.342   1.636  -3.346
  115   2HG   ARG  12          2HG       ARG  12  -2.092   3.378  -3.210
  116   1HD   ARG  12          1HD       ARG  12   0.000   2.819  -1.841
  117   2HD   ARG  12          2HD       ARG  12  -0.202   1.161  -2.406
  118    HE   ARG  12           HE       ARG  12   0.114   1.999  -4.715
  119   1HH1  ARG  12          1HH1      ARG  12   0.119   4.561  -2.478
  120   2HH1  ARG  12          2HH1      ARG  12   1.421   5.420  -3.231
  121   1HH2  ARG  12          1HH2      ARG  12   2.089   2.920  -5.539
  122   2HH2  ARG  12          2HH2      ARG  12   2.536   4.492  -4.964
  123    H    LYS  13           H        LYS  13  -5.247   2.913   0.515
  124    HA   LYS  13           HA       LYS  13  -4.588   1.115   2.600
  125   1HB   LYS  13          1HB       LYS  13  -5.760   3.433   2.699
  126   2HB   LYS  13          2HB       LYS  13  -7.250   2.521   2.455
  127   1HG   LYS  13          1HG       LYS  13  -7.254   1.802   4.590
  128   2HG   LYS  13          2HG       LYS  13  -5.572   1.280   4.480
  129   1HD   LYS  13          1HD       LYS  13  -5.372   4.046   4.497
  130   2HD   LYS  13          2HD       LYS  13  -6.685   3.731   5.632
  131   1HE   LYS  13          1HE       LYS  13  -4.230   2.031   5.810
  132   2HE   LYS  13          2HE       LYS  13  -4.150   3.681   6.431
  133   1HZ   LYS  13          1HZ       LYS  13  -6.508   2.177   7.186
  134   2HZ   LYS  13          2HZ       LYS  13  -5.052   1.604   7.839
  135   3HZ   LYS  13          3HZ       LYS  13  -5.531   3.210   8.116
  136    H    LEU  14           H        LEU  14  -7.124   0.977   0.152
  137    HA   LEU  14           HA       LEU  14  -8.420  -1.312   1.401
  138   1HB   LEU  14          1HB       LEU  14  -8.970   0.497  -0.793
  139   2HB   LEU  14          2HB       LEU  14  -9.216  -1.178  -1.288
  140    HG   LEU  14           HG       LEU  14 -10.354  -1.152   1.215
  141   1HD1  LEU  14          1HD1      LEU  14 -10.976   1.487  -0.149
  142   2HD1  LEU  14          2HD1      LEU  14 -11.804   0.851   1.272
  143   3HD1  LEU  14          3HD1      LEU  14 -10.100   1.295   1.371
  144   1HD2  LEU  14          1HD2      LEU  14 -11.261  -2.118  -0.902
  145   2HD2  LEU  14          2HD2      LEU  14 -12.483  -1.231   0.009
  146   3HD2  LEU  14          3HD2      LEU  14 -11.735  -0.497  -1.409
  147    H    LYS  15           H        LYS  15  -6.740  -0.882  -1.734
  148    HA   LYS  15           HA       LYS  15  -6.514  -3.535  -2.504
  149   1HB   LYS  15          1HB       LYS  15  -4.815  -1.112  -2.878
  150   2HB   LYS  15          2HB       LYS  15  -4.109  -2.668  -3.313
  151   1HG   LYS  15          1HG       LYS  15  -5.868  -3.130  -4.875
  152   2HG   LYS  15          2HG       LYS  15  -6.832  -1.775  -4.286
  153   1HD   LYS  15          1HD       LYS  15  -4.731  -0.347  -4.963
  154   2HD   LYS  15          2HD       LYS  15  -4.354  -1.734  -5.986
  155   1HE   LYS  15          1HE       LYS  15  -7.090  -1.268  -6.389
  156   2HE   LYS  15          2HE       LYS  15  -6.354   0.334  -6.375
  157   1HZ   LYS  15          1HZ       LYS  15  -5.322  -1.942  -7.973
  158   2HZ   LYS  15          2HZ       LYS  15  -6.379  -0.764  -8.586
  159   3HZ   LYS  15          3HZ       LYS  15  -4.831  -0.317  -8.060
  160    H    LYS  16           H        LYS  16  -4.606  -1.829  -0.069
  161    HA   LYS  16           HA       LYS  16  -2.543  -3.698   0.328
  162   1HB   LYS  16          1HB       LYS  16  -2.108  -2.582   2.301
  163   2HB   LYS  16          2HB       LYS  16  -3.162  -1.394   1.537
  164   1HG   LYS  16          1HG       LYS  16  -5.104  -2.367   2.732
  165   2HG   LYS  16          2HG       LYS  16  -4.027  -3.515   3.524
  166   1HD   LYS  16          1HD       LYS  16  -2.799  -1.067   3.981
  167   2HD   LYS  16          2HD       LYS  16  -4.517  -0.702   4.149
  168   1HE   LYS  16          1HE       LYS  16  -4.559  -1.711   6.157
  169   2HE   LYS  16          2HE       LYS  16  -3.978  -3.210   5.434
  170   1HZ   LYS  16          1HZ       LYS  16  -1.867  -1.350   5.606
  171   2HZ   LYS  16          2HZ       LYS  16  -2.598  -1.508   7.132
  172   3HZ   LYS  16          3HZ       LYS  16  -1.999  -2.879   6.333
  173    H    LYS  17           H        LYS  17  -5.825  -3.686   1.696
  174    HA   LYS  17           HA       LYS  17  -5.344  -6.288   2.960
  175   1HB   LYS  17          1HB       LYS  17  -6.982  -4.133   3.574
  176   2HB   LYS  17          2HB       LYS  17  -8.106  -5.352   2.972
  177   1HG   LYS  17          1HG       LYS  17  -7.989  -6.307   5.014
  178   2HG   LYS  17          2HG       LYS  17  -6.345  -6.790   4.594
  179   1HD   LYS  17          1HD       LYS  17  -5.383  -5.106   5.834
  180   2HD   LYS  17          2HD       LYS  17  -6.731  -4.000   5.570
  181   1HE   LYS  17          1HE       LYS  17  -7.259  -6.467   7.168
  182   2HE   LYS  17          2HE       LYS  17  -6.338  -5.175   7.937
  183   1HZ   LYS  17          1HZ       LYS  17  -8.930  -4.747   6.560
  184   2HZ   LYS  17          2HZ       LYS  17  -8.790  -5.021   8.231
  185   3HZ   LYS  17          3HZ       LYS  17  -8.086  -3.643   7.537
  186    H    ILE  18           H        ILE  18  -7.727  -5.006   0.591
  187    HA   ILE  18           HA       ILE  18  -8.766  -7.542  -0.101
  188    HB   ILE  18           HB       ILE  18 -10.159  -5.823  -0.717
  189   1HG1  ILE  18          1HG1      ILE  18  -9.039  -7.238  -2.790
  190   2HG1  ILE  18          2HG1      ILE  18 -10.473  -6.222  -2.905
  191   1HG2  ILE  18          1HG2      ILE  18  -7.624  -4.351  -1.336
  192   2HG2  ILE  18          2HG2      ILE  18  -9.148  -3.781  -2.016
  193   3HG2  ILE  18          3HG2      ILE  18  -8.948  -3.891  -0.268
  194   1HD1  ILE  18          1HD1      ILE  18  -9.056  -4.292  -3.526
  195   2HD1  ILE  18          2HD1      ILE  18  -7.625  -5.318  -3.425
  196   3HD1  ILE  18          3HD1      ILE  18  -8.845  -5.625  -4.661
  197    H    LYS  19           H        LYS  19  -6.369  -5.486  -1.825
  198    HA   LYS  19           HA       LYS  19  -5.842  -7.260  -3.944
  199   1HB   LYS  19          1HB       LYS  19  -4.863  -4.854  -3.326
  200   2HB   LYS  19          2HB       LYS  19  -3.527  -5.828  -2.710
  201   1HG   LYS  19          1HG       LYS  19  -3.103  -6.795  -4.832
  202   2HG   LYS  19          2HG       LYS  19  -4.663  -6.272  -5.471
  203   1HD   LYS  19          1HD       LYS  19  -3.810  -4.291  -6.116
  204   2HD   LYS  19          2HD       LYS  19  -3.145  -3.999  -4.509
  205   1HE   LYS  19          1HE       LYS  19  -1.067  -4.603  -5.159
  206   2HE   LYS  19          2HE       LYS  19  -1.665  -6.062  -5.949
  207   1HZ   LYS  19          1HZ       LYS  19  -2.486  -3.817  -7.424
  208   2HZ   LYS  19          2HZ       LYS  19  -0.814  -3.693  -7.144
  209   3HZ   LYS  19          3HZ       LYS  19  -1.446  -5.074  -7.901
  210    H    LYS  20           H        LYS  20  -5.093  -7.568  -0.594
  211    HA   LYS  20           HA       LYS  20  -2.954  -9.509  -0.971
  212   1HB   LYS  20          1HB       LYS  20  -4.127  -8.047   1.235
  213   2HB   LYS  20          2HB       LYS  20  -3.993  -9.759   1.635
  214   1HG   LYS  20          1HG       LYS  20  -1.696  -9.743   1.551
  215   2HG   LYS  20          2HG       LYS  20  -1.649  -8.509   0.291
  216   1HD   LYS  20          1HD       LYS  20  -1.452  -6.851   1.807
  217   2HD   LYS  20          2HD       LYS  20  -2.809  -7.470   2.750
  218   1HE   LYS  20          1HE       LYS  20  -1.396  -8.298   4.291
  219   2HE   LYS  20          2HE       LYS  20  -0.578  -9.253   3.054
  220   1HZ   LYS  20          1HZ       LYS  20   0.162  -6.565   2.755
  221   2HZ   LYS  20          2HZ       LYS  20   0.368  -6.988   4.384
  222   3HZ   LYS  20          3HZ       LYS  20   1.141  -7.890   3.171
  223    H    LEU  21           H        LEU  21  -6.415  -9.574  -0.199
  224    HA   LEU  21           HA       LEU  21  -6.530 -12.414   0.233
  225   1HB   LEU  21          1HB       LEU  21  -8.794 -12.095   0.557
  226   2HB   LEU  21          2HB       LEU  21  -8.215 -10.454   0.833
  227    HG   LEU  21           HG       LEU  21  -8.592 -10.138  -1.723
  228   1HD1  LEU  21          1HD1      LEU  21  -9.723 -12.811  -1.199
  229   2HD1  LEU  21          2HD1      LEU  21 -10.799 -11.726  -2.079
  230   3HD1  LEU  21          3HD1      LEU  21  -9.198 -12.092  -2.722
  231   1HD2  LEU  21          1HD2      LEU  21 -10.503 -10.147   0.538
  232   2HD2  LEU  21          2HD2      LEU  21 -10.076  -8.843  -0.568
  233   3HD2  LEU  21          3HD2      LEU  21 -11.233 -10.078  -1.065
  234    H    GLU  22           H        GLU  22  -7.058 -10.338  -2.581
  235    HA   GLU  22           HA       GLU  22  -8.066 -12.335  -4.336
  236   1HB   GLU  22          1HB       GLU  22  -7.616 -10.815  -6.104
  237   2HB   GLU  22          2HB       GLU  22  -7.948  -9.791  -4.708
  238   1HG   GLU  22          1HG       GLU  22  -5.575  -9.466  -4.311
  239   2HG   GLU  22          2HG       GLU  22  -5.165 -10.621  -5.581
  240    H    GLU  23           H        GLU  23  -4.982 -11.997  -2.945
  241    HA   GLU  23           HA       GLU  23  -3.645 -13.480  -5.110
  242   1HB   GLU  23          1HB       GLU  23  -2.796 -11.639  -3.074
  243   2HB   GLU  23          2HB       GLU  23  -1.912 -13.155  -2.889
  244   1HG   GLU  23          1HG       GLU  23  -0.571 -12.387  -4.543
  245   2HG   GLU  23          2HG       GLU  23  -1.906 -12.775  -5.629
  246    H    ASP  24           H        ASP  24  -2.183 -15.350  -4.271
  247    HA   ASP  24           HA       ASP  24  -2.533 -16.778  -1.928
  248   1HB   ASP  24          1HB       ASP  24  -4.882 -16.901  -2.097
  249   2HB   ASP  24          2HB       ASP  24  -4.834 -17.177  -3.838
  250    H    ASN  25           H        ASN  25  -2.266 -16.857  -5.410
  251    HA   ASN  25           HA       ASN  25  -0.821 -19.460  -5.241
  252   1HB   ASN  25          1HB       ASN  25  -2.386 -18.069  -7.351
  253   2HB   ASN  25          2HB       ASN  25  -0.974 -18.978  -7.894
  254   1HD2  ASN  25          2HD2      ASN  25  -3.823 -19.400  -5.713
  255   2HD2  ASN  25          1HD2      ASN  25  -4.046 -21.041  -6.084
  256    HA   PRO  26           HA       PRO  26   3.000 -17.442  -5.984
  257   1HB   PRO  26          1HB       PRO  26   4.327 -19.474  -7.277
  258   2HB   PRO  26          2HB       PRO  26   4.001 -19.470  -5.536
  259   1HG   PRO  26          1HG       PRO  26   2.677 -21.053  -7.690
  260   2HG   PRO  26          2HG       PRO  26   2.857 -21.432  -5.969
  261   1HD   PRO  26          1HD       PRO  26   0.515 -20.440  -7.210
  262   2HD   PRO  26          2HD       PRO  26   0.823 -20.507  -5.461
  263    H    TRP  27           H        TRP  27   2.754 -19.513  -8.874
  264    HA   TRP  27           HA       TRP  27   2.715 -17.037 -10.550
  265   1HB   TRP  27          1HB       TRP  27   4.211 -18.247 -12.153
  266   2HB   TRP  27          2HB       TRP  27   4.982 -17.933 -10.598
  267    HD1  TRP  27           HD1      TRP  27   2.821 -20.781 -12.104
  268    HE1  TRP  27           HE1      TRP  27   3.831 -23.029 -11.345
  269    HE3  TRP  27           HE3      TRP  27   6.704 -19.087  -9.252
  270    HZ2  TRP  27           HZ2      TRP  27   6.000 -23.982  -9.742
  271    HZ3  TRP  27           HZ3      TRP  27   8.226 -20.685  -8.124
  272    HH2  TRP  27           HH2      TRP  27   7.879 -23.128  -8.364
  Start of MODEL   19
    1   1H    ARG   1          1H        ARG   1  -4.136  22.057   2.543
    2   2H    ARG   1          2H        ARG   1  -5.564  22.970   2.605
    3   3H    ARG   1          3H        ARG   1  -4.859  22.401   4.043
    4    HA   ARG   1           HA       ARG   1  -5.911  20.471   3.914
    5   1HB   ARG   1          1HB       ARG   1  -7.404  22.338   2.482
    6   2HB   ARG   1          2HB       ARG   1  -7.361  20.930   1.420
    7   1HG   ARG   1          1HG       ARG   1  -8.374  19.536   3.025
    8   2HG   ARG   1          2HG       ARG   1  -7.977  20.625   4.354
    9   1HD   ARG   1          1HD       ARG   1  -9.704  21.722   2.190
   10   2HD   ARG   1          2HD       ARG   1 -10.434  20.533   3.269
   11    HE   ARG   1           HE       ARG   1 -10.121  23.200   3.978
   12   1HH1  ARG   1          1HH1      ARG   1 -10.460  20.281   5.465
   13   2HH1  ARG   1          2HH1      ARG   1  -9.677  20.711   6.950
   14   1HH2  ARG   1          1HH2      ARG   1  -8.456  23.724   5.739
   15   2HH2  ARG   1          2HH2      ARG   1  -8.543  22.660   7.105
   16    H    LYS   2           H        LYS   2  -3.890  19.344   3.346
   17    HA   LYS   2           HA       LYS   2  -3.373  18.734   0.532
   18   1HB   LYS   2          1HB       LYS   2  -2.105  18.107   3.156
   19   2HB   LYS   2          2HB       LYS   2  -1.811  16.981   1.830
   20   1HG   LYS   2          1HG       LYS   2  -1.504  19.473   0.637
   21   2HG   LYS   2          2HG       LYS   2  -0.773  19.684   2.229
   22   1HD   LYS   2          1HD       LYS   2   0.713  17.832   1.891
   23   2HD   LYS   2          2HD       LYS   2  -0.147  17.331   0.434
   24   1HE   LYS   2          1HE       LYS   2   0.516  19.967  -0.110
   25   2HE   LYS   2          2HE       LYS   2   1.930  19.372   0.760
   26   1HZ   LYS   2          1HZ       LYS   2   0.711  17.797  -1.416
   27   2HZ   LYS   2          2HZ       LYS   2   1.825  19.028  -1.757
   28   3HZ   LYS   2          3HZ       LYS   2   2.288  17.708  -0.791
   29    H    LYS   3           H        LYS   3  -5.989  17.963   1.126
   30    HA   LYS   3           HA       LYS   3  -6.025  15.154   1.814
   31   1HB   LYS   3          1HB       LYS   3  -8.335  15.336   1.812
   32   2HB   LYS   3          2HB       LYS   3  -7.889  17.017   2.094
   33   1HG   LYS   3          1HG       LYS   3  -8.112  17.513  -0.290
   34   2HG   LYS   3          2HG       LYS   3  -8.471  15.820  -0.632
   35   1HD   LYS   3          1HD       LYS   3 -10.577  15.922   0.365
   36   2HD   LYS   3          2HD       LYS   3 -10.142  17.304   1.373
   37   1HE   LYS   3          1HE       LYS   3  -9.896  17.955  -1.446
   38   2HE   LYS   3          2HE       LYS   3 -11.522  17.386  -1.068
   39   1HZ   LYS   3          1HZ       LYS   3 -10.103  19.447   0.524
   40   2HZ   LYS   3          2HZ       LYS   3 -11.156  19.819  -0.757
   41   3HZ   LYS   3          3HZ       LYS   3 -11.744  19.014   0.616
   42    H    LEU   4           H        LEU   4  -4.634  16.349  -0.632
   43    HA   LEU   4           HA       LEU   4  -5.933  14.850  -2.799
   44   1HB   LEU   4          1HB       LEU   4  -4.803  17.165  -3.067
   45   2HB   LEU   4          2HB       LEU   4  -3.281  16.274  -2.991
   46    HG   LEU   4           HG       LEU   4  -3.984  16.558  -5.329
   47   1HD1  LEU   4          1HD1      LEU   4  -2.892  14.401  -4.445
   48   2HD1  LEU   4          2HD1      LEU   4  -4.498  13.680  -4.562
   49   3HD1  LEU   4          3HD1      LEU   4  -3.702  14.297  -6.009
   50   1HD2  LEU   4          1HD2      LEU   4  -6.505  16.502  -4.497
   51   2HD2  LEU   4          2HD2      LEU   4  -6.088  15.971  -6.127
   52   3HD2  LEU   4          3HD2      LEU   4  -6.352  14.781  -4.853
   53    H    GLU   5           H        GLU   5  -2.605  15.050  -1.508
   54    HA   GLU   5           HA       GLU   5  -1.864  12.459  -2.492
   55   1HB   GLU   5          1HB       GLU   5  -0.692  14.219  -0.320
   56   2HB   GLU   5          2HB       GLU   5   0.085  12.763  -0.945
   57   1HG   GLU   5          1HG       GLU   5  -0.785  14.584  -3.065
   58   2HG   GLU   5          2HG       GLU   5   0.392  15.317  -1.974
   59    H    GLU   6           H        GLU   6  -3.284  13.700   0.463
   60    HA   GLU   6           HA       GLU   6  -2.937  11.430   2.137
   61   1HB   GLU   6          1HB       GLU   6  -4.478  13.881   2.149
   62   2HB   GLU   6          2HB       GLU   6  -5.466  12.540   2.727
   63   1HG   GLU   6          1HG       GLU   6  -3.116  12.028   4.013
   64   2HG   GLU   6          2HG       GLU   6  -3.085  13.790   3.955
   65    H    LEU   7           H        LEU   7  -5.825  12.338   0.208
   66    HA   LEU   7           HA       LEU   7  -7.162   9.855   0.575
   67   1HB   LEU   7          1HB       LEU   7  -7.375  12.108  -1.395
   68   2HB   LEU   7          2HB       LEU   7  -8.287  10.623  -1.673
   69    HG   LEU   7           HG       LEU   7  -9.428  12.507  -0.306
   70   1HD1  LEU   7          1HD1      LEU   7  -9.228   9.596   0.433
   71   2HD1  LEU   7          2HD1      LEU   7 -10.260  10.674   1.373
   72   3HD1  LEU   7          3HD1      LEU   7 -10.556  10.450  -0.351
   73   1HD2  LEU   7          1HD2      LEU   7  -7.443  12.908   1.154
   74   2HD2  LEU   7          2HD2      LEU   7  -8.888  12.508   2.082
   75   3HD2  LEU   7          3HD2      LEU   7  -7.641  11.289   1.824
   76    H    GLU   8           H        GLU   8  -4.944  10.982  -1.978
   77    HA   GLU   8           HA       GLU   8  -5.117   8.928  -3.829
   78   1HB   GLU   8          1HB       GLU   8  -2.681  10.330  -2.709
   79   2HB   GLU   8          2HB       GLU   8  -2.558   9.153  -4.016
   80   1HG   GLU   8          1HG       GLU   8  -4.684  10.904  -4.696
   81   2HG   GLU   8          2HG       GLU   8  -3.343  11.917  -4.163
   82    H    ARG   9           H        ARG   9  -3.654   8.837  -0.627
   83    HA   ARG   9           HA       ARG   9  -2.629   6.145  -0.902
   84   1HB   ARG   9          1HB       ARG   9  -2.887   8.165   1.259
   85   2HB   ARG   9          2HB       ARG   9  -2.835   6.478   1.775
   86   1HG   ARG   9          1HG       ARG   9  -0.821   6.401   0.016
   87   2HG   ARG   9          2HG       ARG   9  -0.732   8.113   0.430
   88   1HD   ARG   9          1HD       ARG   9  -0.995   7.067   2.907
   89   2HD   ARG   9          2HD       ARG   9  -0.167   5.730   2.108
   90    HE   ARG   9           HE       ARG   9   1.075   8.327   1.607
   91   1HH1  ARG   9          1HH1      ARG   9   1.796   5.232   2.366
   92   2HH1  ARG   9          2HH1      ARG   9   2.939   5.573   3.621
   93   1HH2  ARG   9          1HH2      ARG   9   2.135   8.941   3.801
   94   2HH2  ARG   9          2HH2      ARG   9   3.131   7.675   4.435
   95    H    ASP  10           H        ASP  10  -5.514   7.636   0.529
   96    HA   ASP  10           HA       ASP  10  -6.712   5.373   1.682
   97   1HB   ASP  10          1HB       ASP  10  -7.480   7.949   1.347
   98   2HB   ASP  10          2HB       ASP  10  -8.521   7.167   0.158
   99    H    LEU  11           H        LEU  11  -6.503   6.300  -1.722
  100    HA   LEU  11           HA       LEU  11  -8.428   4.395  -2.675
  101   1HB   LEU  11          1HB       LEU  11  -7.739   5.025  -4.816
  102   2HB   LEU  11          2HB       LEU  11  -7.295   6.446  -3.871
  103    HG   LEU  11           HG       LEU  11  -5.026   5.060  -3.570
  104   1HD1  LEU  11          1HD1      LEU  11  -6.160   4.143  -6.228
  105   2HD1  LEU  11          2HD1      LEU  11  -4.484   3.930  -5.722
  106   3HD1  LEU  11          3HD1      LEU  11  -5.779   3.114  -4.847
  107   1HD2  LEU  11          1HD2      LEU  11  -5.569   7.350  -4.695
  108   2HD2  LEU  11          2HD2      LEU  11  -4.077   6.524  -5.146
  109   3HD2  LEU  11          3HD2      LEU  11  -5.484   6.444  -6.205
  110    H    ARG  12           H        ARG  12  -4.993   4.287  -1.981
  111    HA   ARG  12           HA       ARG  12  -4.690   1.581  -3.023
  112   1HB   ARG  12          1HB       ARG  12  -2.964   3.728  -2.009
  113   2HB   ARG  12          2HB       ARG  12  -2.448   2.115  -1.517
  114   1HG   ARG  12          1HG       ARG  12  -2.918   1.544  -4.059
  115   2HG   ARG  12          2HG       ARG  12  -2.670   3.277  -4.268
  116   1HD   ARG  12          1HD       ARG  12  -0.535   2.890  -2.807
  117   2HD   ARG  12          2HD       ARG  12  -0.735   1.201  -3.275
  118    HE   ARG  12           HE       ARG  12  -0.049   1.781  -5.460
  119   1HH1  ARG  12          1HH2      ARG  12   1.377   4.085  -4.006
  120   2HH1  ARG  12          2HH2      ARG  12   0.921   5.426  -5.002
  121   1HH2  ARG  12          1HH1      ARG  12  -1.642   3.714  -6.592
  122   2HH2  ARG  12          2HH1      ARG  12  -0.789   5.217  -6.466
  123    H    LYS  13           H        LYS  13  -5.688   3.061  -0.114
  124    HA   LYS  13           HA       LYS  13  -4.769   1.233   1.845
  125   1HB   LYS  13          1HB       LYS  13  -6.493   3.439   1.777
  126   2HB   LYS  13          2HB       LYS  13  -7.496   2.104   2.348
  127   1HG   LYS  13          1HG       LYS  13  -6.533   2.250   4.373
  128   2HG   LYS  13          2HG       LYS  13  -4.964   1.901   3.646
  129   1HD   LYS  13          1HD       LYS  13  -4.420   4.163   3.407
  130   2HD   LYS  13          2HD       LYS  13  -6.108   4.674   3.459
  131   1HE   LYS  13          1HE       LYS  13  -5.860   3.498   5.907
  132   2HE   LYS  13          2HE       LYS  13  -4.233   4.139   5.682
  133   1HZ   LYS  13          1HZ       LYS  13  -6.242   5.999   4.876
  134   2HZ   LYS  13          2HZ       LYS  13  -6.429   5.544   6.502
  135   3HZ   LYS  13          3HZ       LYS  13  -4.959   6.203   5.972
  136    H    LEU  14           H        LEU  14  -7.424   1.002  -0.463
  137    HA   LEU  14           HA       LEU  14  -8.567  -1.357   0.775
  138   1HB   LEU  14          1HB       LEU  14  -9.007   0.151  -1.781
  139   2HB   LEU  14          2HB       LEU  14  -9.676  -1.473  -1.609
  140    HG   LEU  14           HG       LEU  14 -10.360  -0.335   0.793
  141   1HD1  LEU  14          1HD1      LEU  14  -9.875   1.798  -1.162
  142   2HD1  LEU  14          2HD1      LEU  14 -11.503   1.836  -0.485
  143   3HD1  LEU  14          3HD1      LEU  14 -10.101   1.905   0.583
  144   1HD2  LEU  14          1HD2      LEU  14 -11.623  -1.363  -1.493
  145   2HD2  LEU  14          2HD2      LEU  14 -12.390  -0.994   0.053
  146   3HD2  LEU  14          3HD2      LEU  14 -12.374   0.211  -1.235
  147    H    LYS  15           H        LYS  15  -7.157  -0.978  -2.482
  148    HA   LYS  15           HA       LYS  15  -6.692  -3.582  -3.180
  149   1HB   LYS  15          1HB       LYS  15  -5.499  -1.048  -3.851
  150   2HB   LYS  15          2HB       LYS  15  -4.242  -2.280  -3.762
  151   1HG   LYS  15          1HG       LYS  15  -4.940  -2.590  -5.946
  152   2HG   LYS  15          2HG       LYS  15  -6.028  -3.705  -5.122
  153   1HD   LYS  15          1HD       LYS  15  -7.315  -1.226  -4.958
  154   2HD   LYS  15          2HD       LYS  15  -6.662  -1.280  -6.596
  155   1HE   LYS  15          1HE       LYS  15  -7.665  -3.844  -6.212
  156   2HE   LYS  15          2HE       LYS  15  -8.861  -2.811  -5.430
  157   1HZ   LYS  15          1HZ       LYS  15  -7.942  -1.773  -7.941
  158   2HZ   LYS  15          2HZ       LYS  15  -8.689  -3.291  -8.094
  159   3HZ   LYS  15          3HZ       LYS  15  -9.528  -2.001  -7.378
  160    H    LYS  16           H        LYS  16  -5.062  -1.803  -0.656
  161    HA   LYS  16           HA       LYS  16  -2.812  -3.491  -0.273
  162   1HB   LYS  16          1HB       LYS  16  -4.225  -1.429   1.240
  163   2HB   LYS  16          2HB       LYS  16  -3.556  -2.684   2.284
  164   1HG   LYS  16          1HG       LYS  16  -1.946  -1.339   0.103
  165   2HG   LYS  16          2HG       LYS  16  -1.985  -0.749   1.764
  166   1HD   LYS  16          1HD       LYS  16  -0.412  -2.256   2.316
  167   2HD   LYS  16          2HD       LYS  16  -1.532  -3.550   1.892
  168   1HE   LYS  16          1HE       LYS  16  -0.689  -3.750  -0.281
  169   2HE   LYS  16          2HE       LYS  16  -0.015  -2.120  -0.274
  170   1HZ   LYS  16          1HZ       LYS  16   0.967  -4.346   1.425
  171   2HZ   LYS  16          2HZ       LYS  16   1.674  -3.885  -0.047
  172   3HZ   LYS  16          3HZ       LYS  16   1.661  -2.804   1.265
  173    H    LYS  17           H        LYS  17  -5.998  -3.592   1.345
  174    HA   LYS  17           HA       LYS  17  -5.390  -6.181   2.542
  175   1HB   LYS  17          1HB       LYS  17  -7.198  -4.078   3.057
  176   2HB   LYS  17          2HB       LYS  17  -8.184  -5.484   2.656
  177   1HG   LYS  17          1HG       LYS  17  -6.880  -6.827   4.306
  178   2HG   LYS  17          2HG       LYS  17  -5.998  -5.366   4.755
  179   1HD   LYS  17          1HD       LYS  17  -7.975  -5.939   6.249
  180   2HD   LYS  17          2HD       LYS  17  -7.992  -4.310   5.572
  181   1HE   LYS  17          1HE       LYS  17  -9.786  -4.745   4.217
  182   2HE   LYS  17          2HE       LYS  17  -9.294  -6.416   3.932
  183   1HZ   LYS  17          1HZ       LYS  17 -10.274  -5.529   6.576
  184   2HZ   LYS  17          2HZ       LYS  17 -11.352  -6.010   5.353
  185   3HZ   LYS  17          3HZ       LYS  17 -10.200  -7.105   5.944
  186    H    ILE  18           H        ILE  18  -7.645  -4.992   0.035
  187    HA   ILE  18           HA       ILE  18  -8.913  -7.428  -0.530
  188    HB   ILE  18           HB       ILE  18  -9.969  -5.751  -1.648
  189   1HG1  ILE  18          1HG1      ILE  18  -7.812  -6.530  -3.620
  190   2HG1  ILE  18          2HG1      ILE  18  -9.436  -7.210  -3.488
  191   1HG2  ILE  18          1HG2      ILE  18  -7.250  -4.516  -1.713
  192   2HG2  ILE  18          2HG2      ILE  18  -8.499  -3.887  -2.786
  193   3HG2  ILE  18          3HG2      ILE  18  -8.751  -3.880  -1.042
  194   1HD1  ILE  18          1HD1      ILE  18  -9.677  -4.372  -3.765
  195   2HD1  ILE  18          2HD1      ILE  18  -8.591  -4.955  -5.027
  196   3HD1  ILE  18          3HD1      ILE  18 -10.217  -5.623  -4.885
  197    H    LYS  19           H        LYS  19  -6.015  -6.017  -2.104
  198    HA   LYS  19           HA       LYS  19  -5.551  -8.283  -3.786
  199   1HB   LYS  19          1HB       LYS  19  -3.807  -6.045  -2.778
  200   2HB   LYS  19          2HB       LYS  19  -3.133  -7.348  -3.750
  201   1HG   LYS  19          1HG       LYS  19  -5.369  -6.704  -5.194
  202   2HG   LYS  19          2HG       LYS  19  -4.898  -5.127  -4.556
  203   1HD   LYS  19          1HD       LYS  19  -2.632  -6.716  -5.545
  204   2HD   LYS  19          2HD       LYS  19  -3.809  -6.311  -6.796
  205   1HE   LYS  19          1HE       LYS  19  -3.276  -4.106  -6.747
  206   2HE   LYS  19          2HE       LYS  19  -3.192  -4.076  -4.986
  207   1HZ   LYS  19          1HZ       LYS  19  -1.098  -5.350  -6.644
  208   2HZ   LYS  19          2HZ       LYS  19  -1.042  -3.707  -6.226
  209   3HZ   LYS  19          3HZ       LYS  19  -1.012  -4.893  -5.010
  210    H    LYS  20           H        LYS  20  -4.870  -7.613  -0.442
  211    HA   LYS  20           HA       LYS  20  -2.830  -9.593  -0.046
  212   1HB   LYS  20          1HB       LYS  20  -4.514  -7.862   1.630
  213   2HB   LYS  20          2HB       LYS  20  -4.134  -9.412   2.380
  214   1HG   LYS  20          1HG       LYS  20  -1.816  -8.218   1.051
  215   2HG   LYS  20          2HG       LYS  20  -2.468  -7.191   2.329
  216   1HD   LYS  20          1HD       LYS  20  -2.237  -8.912   3.967
  217   2HD   LYS  20          2HD       LYS  20  -1.940 -10.141   2.738
  218   1HE   LYS  20          1HE       LYS  20   0.255  -9.760   3.186
  219   2HE   LYS  20          2HE       LYS  20   0.040  -8.323   2.187
  220   1HZ   LYS  20          1HZ       LYS  20  -0.891  -7.715   4.738
  221   2HZ   LYS  20          2HZ       LYS  20   0.611  -8.479   4.935
  222   3HZ   LYS  20          3HZ       LYS  20   0.485  -7.098   3.956
  223    H    LEU  21           H        LEU  21  -6.333  -9.667   0.722
  224    HA   LEU  21           HA       LEU  21  -6.373 -12.430   1.410
  225   1HB   LEU  21          1HB       LEU  21  -8.708 -12.205   1.489
  226   2HB   LEU  21          2HB       LEU  21  -8.139 -10.567   1.810
  227    HG   LEU  21           HG       LEU  21  -8.308 -10.293  -0.793
  228   1HD1  LEU  21          1HD1      LEU  21  -9.671 -12.868  -0.236
  229   2HD1  LEU  21          2HD1      LEU  21 -10.545 -11.751  -1.287
  230   3HD1  LEU  21          3HD1      LEU  21  -8.924 -12.290  -1.726
  231   1HD2  LEU  21          1HD2      LEU  21 -10.673 -10.414   1.096
  232   2HD2  LEU  21          2HD2      LEU  21  -9.675  -9.008   0.728
  233   3HD2  LEU  21          3HD2      LEU  21 -10.742  -9.679  -0.505
  234    H    GLU  22           H        GLU  22  -6.833 -10.733  -1.650
  235    HA   GLU  22           HA       GLU  22  -7.701 -12.975  -3.187
  236   1HB   GLU  22          1HB       GLU  22  -6.576 -10.289  -3.755
  237   2HB   GLU  22          2HB       GLU  22  -6.378 -11.492  -5.031
  238   1HG   GLU  22          1HG       GLU  22  -9.058 -11.258  -3.724
  239   2HG   GLU  22          2HG       GLU  22  -8.584 -10.008  -4.874
  240    H    GLU  23           H        GLU  23  -4.496 -11.841  -2.243
  241    HA   GLU  23           HA       GLU  23  -3.109 -13.717  -3.973
  242   1HB   GLU  23          1HB       GLU  23  -2.039 -11.606  -3.329
  243   2HB   GLU  23          2HB       GLU  23  -2.117 -12.072  -1.629
  244   1HG   GLU  23          1HG       GLU  23  -0.594 -13.897  -1.969
  245   2HG   GLU  23          2HG       GLU  23  -0.685 -13.725  -3.722
  246    H    ASP  24           H        ASP  24  -4.105 -13.619  -0.579
  247    HA   ASP  24           HA       ASP  24  -2.695 -16.107   0.058
  248   1HB   ASP  24          1HB       ASP  24  -2.964 -14.530   1.855
  249   2HB   ASP  24          2HB       ASP  24  -4.704 -14.425   1.576
  250    H    ASN  25           H        ASN  25  -5.701 -15.270  -1.361
  251    HA   ASN  25           HA       ASN  25  -6.872 -17.918  -0.654
  252   1HB   ASN  25          1HB       ASN  25  -7.963 -15.276  -1.362
  253   2HB   ASN  25          2HB       ASN  25  -8.760 -16.619  -2.181
  254   1HD2  ASN  25          2HD2      ASN  25 -10.267 -15.246  -0.291
  255   2HD2  ASN  25          1HD2      ASN  25 -10.458 -16.189   1.107
  256    HA   PRO  26           HA       PRO  26  -6.304 -19.514  -4.697
  257   1HB   PRO  26          1HB       PRO  26  -8.689 -20.821  -5.116
  258   2HB   PRO  26          2HB       PRO  26  -7.432 -21.405  -4.010
  259   1HG   PRO  26          1HG       PRO  26 -10.038 -20.100  -3.370
  260   2HG   PRO  26          2HG       PRO  26  -9.083 -21.235  -2.401
  261   1HD   PRO  26          1HD       PRO  26  -9.200 -18.433  -2.026
  262   2HD   PRO  26          2HD       PRO  26  -8.004 -19.533  -1.307
  263    H    TRP  27           H        TRP  27  -9.808 -18.862  -4.843
  264    HA   TRP  27           HA       TRP  27  -9.303 -16.815  -6.946
  265   1HB   TRP  27          1HB       TRP  27 -11.333 -19.048  -7.233
  266   2HB   TRP  27          2HB       TRP  27 -10.933 -17.817  -8.431
  267    HD1  TRP  27           HD1      TRP  27  -8.188 -17.824  -9.134
  268    HE1  TRP  27           HE1      TRP  27  -6.735 -19.880  -9.685
  269    HE3  TRP  27           HE3      TRP  27 -10.961 -21.490  -6.905
  270    HZ2  TRP  27           HZ2      TRP  27  -6.745 -22.706  -9.242
  271    HZ3  TRP  27           HZ3      TRP  27 -10.215 -23.853  -6.986
  272    HH2  TRP  27           HH2      TRP  27  -8.114 -24.465  -8.150
  Start of MODEL   20
    1   1H    ARG   1          1H        ARG   1  -5.272  22.438   1.334
    2   2H    ARG   1          2H        ARG   1  -6.664  23.221   1.913
    3   3H    ARG   1          3H        ARG   1  -5.756  22.232   2.951
    4    HA   ARG   1           HA       ARG   1  -7.305  20.699   2.459
    5   1HB   ARG   1          1HB       ARG   1  -7.720  22.396  -0.001
    6   2HB   ARG   1          2HB       ARG   1  -8.473  20.807   0.146
    7   1HG   ARG   1          1HG       ARG   1  -9.057  21.893   2.586
    8   2HG   ARG   1          2HG       ARG   1  -9.101  23.326   1.557
    9   1HD   ARG   1          1HD       ARG   1 -11.107  22.704   0.757
   10   2HD   ARG   1          2HD       ARG   1 -10.415  21.192   0.174
   11    HE   ARG   1           HE       ARG   1 -11.748  20.246   1.872
   12   1HH1  ARG   1          1HH2      ARG   1 -12.938  22.672   3.016
   13   2HH1  ARG   1          2HH2      ARG   1 -12.271  22.728   4.613
   14   1HH2  ARG   1          1HH1      ARG   1  -9.702  20.513   3.907
   15   2HH2  ARG   1          2HH1      ARG   1 -10.440  21.507   5.116
   16    H    LYS   2           H        LYS   2  -4.918  19.809   2.387
   17    HA   LYS   2           HA       LYS   2  -4.097  18.919  -0.304
   18   1HB   LYS   2          1HB       LYS   2  -2.167  17.932   0.850
   19   2HB   LYS   2          2HB       LYS   2  -2.386  19.608   1.360
   20   1HG   LYS   2          1HG       LYS   2  -2.457  18.881   3.488
   21   2HG   LYS   2          2HG       LYS   2  -3.980  18.076   3.105
   22   1HD   LYS   2          1HD       LYS   2  -3.014  16.043   3.198
   23   2HD   LYS   2          2HD       LYS   2  -1.719  16.548   2.111
   24   1HE   LYS   2          1HE       LYS   2  -0.610  16.011   4.137
   25   2HE   LYS   2          2HE       LYS   2  -0.725  17.771   4.151
   26   1HZ   LYS   2          1HZ       LYS   2  -2.986  16.368   5.294
   27   2HZ   LYS   2          2HZ       LYS   2  -1.532  16.206   6.156
   28   3HZ   LYS   2          3HZ       LYS   2  -2.172  17.749   5.847
   29    H    LYS   3           H        LYS   3  -6.626  17.926   0.415
   30    HA   LYS   3           HA       LYS   3  -6.269  15.218   1.417
   31   1HB   LYS   3          1HB       LYS   3  -8.332  16.683   1.836
   32   2HB   LYS   3          2HB       LYS   3  -8.773  16.342   0.163
   33   1HG   LYS   3          1HG       LYS   3  -9.224  14.121   0.587
   34   2HG   LYS   3          2HG       LYS   3  -8.040  14.021   1.891
   35   1HD   LYS   3          1HD       LYS   3  -9.666  14.363   3.406
   36   2HD   LYS   3          2HD       LYS   3 -10.050  15.910   2.653
   37   1HE   LYS   3          1HE       LYS   3 -11.063  13.780   1.003
   38   2HE   LYS   3          2HE       LYS   3 -11.631  13.556   2.658
   39   1HZ   LYS   3          1HZ       LYS   3 -11.813  16.112   1.163
   40   2HZ   LYS   3          2HZ       LYS   3 -13.084  14.993   1.300
   41   3HZ   LYS   3          3HZ       LYS   3 -12.483  15.774   2.684
   42    H    LEU   4           H        LEU   4  -5.137  16.286  -1.183
   43    HA   LEU   4           HA       LEU   4  -6.404  14.505  -3.145
   44   1HB   LEU   4          1HB       LEU   4  -5.556  16.841  -3.732
   45   2HB   LEU   4          2HB       LEU   4  -3.926  16.195  -3.540
   46    HG   LEU   4           HG       LEU   4  -4.855  16.167  -5.918
   47   1HD1  LEU   4          1HD1      LEU   4  -3.043  14.605  -4.797
   48   2HD1  LEU   4          2HD1      LEU   4  -4.275  13.363  -5.020
   49   3HD1  LEU   4          3HD1      LEU   4  -3.646  14.241  -6.413
   50   1HD2  LEU   4          1HD2      LEU   4  -7.125  15.248  -4.855
   51   2HD2  LEU   4          2HD2      LEU   4  -6.630  14.785  -6.483
   52   3HD2  LEU   4          3HD2      LEU   4  -6.344  13.692  -5.129
   53    H    GLU   5           H        GLU   5  -3.033  15.087  -2.106
   54    HA   GLU   5           HA       GLU   5  -2.169  12.457  -2.878
   55   1HB   GLU   5          1HB       GLU   5  -0.947  14.524  -1.025
   56   2HB   GLU   5          2HB       GLU   5  -0.116  13.078  -1.598
   57   1HG   GLU   5          1HG       GLU   5  -1.251  14.401  -3.861
   58   2HG   GLU   5          2HG       GLU   5  -0.368  15.598  -2.912
   59    H    GLU   6           H        GLU   6  -3.255  13.984   0.117
   60    HA   GLU   6           HA       GLU   6  -2.638  11.940   1.959
   61   1HB   GLU   6          1HB       GLU   6  -4.377  14.258   1.855
   62   2HB   GLU   6          2HB       GLU   6  -5.178  12.926   2.686
   63   1HG   GLU   6          1HG       GLU   6  -2.951  12.642   3.969
   64   2HG   GLU   6          2HG       GLU   6  -2.557  14.252   3.369
   65    H    LEU   7           H        LEU   7  -5.609  12.351   0.004
   66    HA   LEU   7           HA       LEU   7  -6.751   9.870   0.867
   67   1HB   LEU   7          1HB       LEU   7  -7.508  12.030  -0.826
   68   2HB   LEU   7          2HB       LEU   7  -7.672  10.541  -1.758
   69    HG   LEU   7           HG       LEU   7  -8.977  11.260   0.863
   70   1HD1  LEU   7          1HD1      LEU   7  -9.940  11.684  -1.534
   71   2HD1  LEU   7          2HD1      LEU   7 -10.234   9.946  -1.533
   72   3HD1  LEU   7          3HD1      LEU   7 -10.985  10.969  -0.308
   73   1HD2  LEU   7          1HD2      LEU   7  -8.082   8.627  -0.102
   74   2HD2  LEU   7          2HD2      LEU   7  -8.607   9.110   1.511
   75   3HD2  LEU   7          3HD2      LEU   7  -9.801   8.687   0.284
   76    H    GLU   8           H        GLU   8  -4.736  10.775  -1.936
   77    HA   GLU   8           HA       GLU   8  -4.873   8.465  -3.467
   78   1HB   GLU   8          1HB       GLU   8  -2.987   9.247  -4.478
   79   2HB   GLU   8          2HB       GLU   8  -3.176  10.631  -3.407
   80   1HG   GLU   8          1HG       GLU   8  -1.696   9.605  -1.759
   81   2HG   GLU   8          2HG       GLU   8  -1.568   8.150  -2.744
   82    H    ARG   9           H        ARG   9  -3.396   8.921  -0.325
   83    HA   ARG   9           HA       ARG   9  -2.102   6.336  -0.235
   84   1HB   ARG   9          1HB       ARG   9  -2.598   8.596   1.620
   85   2HB   ARG   9          2HB       ARG   9  -2.436   7.011   2.376
   86   1HG   ARG   9          1HG       ARG   9  -0.397   7.092   0.456
   87   2HG   ARG   9          2HG       ARG   9  -0.382   8.694   1.197
   88   1HD   ARG   9          1HD       ARG   9  -0.447   7.522   3.452
   89   2HD   ARG   9          2HD       ARG   9  -0.141   6.018   2.584
   90    HE   ARG   9           HE       ARG   9   2.084   6.752   2.169
   91   1HH1  ARG   9          1HH1      ARG   9   1.451   9.542   1.287
   92   2HH1  ARG   9          2HH1      ARG   9   2.153  10.492   2.552
   93   1HH2  ARG   9          1HH2      ARG   9   2.406   7.838   4.768
   94   2HH2  ARG   9          2HH2      ARG   9   2.689   9.530   4.524
   95    H    ASP  10           H        ASP  10  -5.159   7.706   0.957
   96    HA   ASP  10           HA       ASP  10  -6.092   5.365   2.293
   97   1HB   ASP  10          1HB       ASP  10  -7.148   7.944   1.515
   98   2HB   ASP  10          2HB       ASP  10  -8.342   6.680   1.215
   99    H    LEU  11           H        LEU  11  -5.862   6.154  -1.088
  100    HA   LEU  11           HA       LEU  11  -7.865   4.286  -2.001
  101   1HB   LEU  11          1HB       LEU  11  -7.252   4.938  -4.131
  102   2HB   LEU  11          2HB       LEU  11  -6.613   6.307  -3.224
  103    HG   LEU  11           HG       LEU  11  -4.443   4.862  -3.050
  104   1HD1  LEU  11          1HD1      LEU  11  -6.102   3.121  -4.525
  105   2HD1  LEU  11          2HD1      LEU  11  -4.914   3.741  -5.672
  106   3HD1  LEU  11          3HD1      LEU  11  -4.379   2.929  -4.200
  107   1HD2  LEU  11          1HD2      LEU  11  -5.502   6.397  -5.398
  108   2HD2  LEU  11          2HD2      LEU  11  -4.205   6.823  -4.281
  109   3HD2  LEU  11          3HD2      LEU  11  -3.927   5.615  -5.534
  110    H    ARG  12           H        ARG  12  -4.401   4.170  -1.392
  111    HA   ARG  12           HA       ARG  12  -4.046   1.488  -2.407
  112   1HB   ARG  12          1HB       ARG  12  -2.425   3.514  -0.963
  113   2HB   ARG  12          2HB       ARG  12  -1.952   1.832  -0.724
  114   1HG   ARG  12          1HG       ARG  12  -1.754   1.501  -3.134
  115   2HG   ARG  12          2HG       ARG  12  -2.351   3.134  -3.433
  116   1HD   ARG  12          1HD       ARG  12  -0.180   3.337  -1.595
  117   2HD   ARG  12          2HD       ARG  12   0.339   2.300  -2.924
  118    HE   ARG  12           HE       ARG  12  -1.000   4.760  -3.785
  119   1HH1  ARG  12          1HH1      ARG  12   1.226   3.117  -5.156
  120   2HH1  ARG  12          2HH1      ARG  12   2.545   4.234  -5.057
  121   1HH2  ARG  12          1HH2      ARG  12   1.013   6.248  -2.688
  122   2HH2  ARG  12          2HH2      ARG  12   2.426   6.004  -3.658
  123    H    LYS  13           H        LYS  13  -5.120   2.919   0.555
  124    HA   LYS  13           HA       LYS  13  -4.555   0.869   2.417
  125   1HB   LYS  13          1HB       LYS  13  -5.464   3.045   3.089
  126   2HB   LYS  13          2HB       LYS  13  -6.974   2.690   2.249
  127   1HG   LYS  13          1HG       LYS  13  -7.360   0.765   3.740
  128   2HG   LYS  13          2HG       LYS  13  -5.845   1.108   4.578
  129   1HD   LYS  13          1HD       LYS  13  -6.722   3.363   5.172
  130   2HD   LYS  13          2HD       LYS  13  -8.258   2.938   4.416
  131   1HE   LYS  13          1HE       LYS  13  -8.915   1.914   6.308
  132   2HE   LYS  13          2HE       LYS  13  -7.532   0.823   6.201
  133   1HZ   LYS  13          1HZ       LYS  13  -6.347   3.026   7.084
  134   2HZ   LYS  13          2HZ       LYS  13  -7.879   3.229   7.789
  135   3HZ   LYS  13          3HZ       LYS  13  -6.975   1.832   8.117
  136    H    LEU  14           H        LEU  14  -6.985   1.063  -0.109
  137    HA   LEU  14           HA       LEU  14  -8.508  -1.203   0.884
  138   1HB   LEU  14          1HB       LEU  14  -8.597   0.594  -1.481
  139   2HB   LEU  14          2HB       LEU  14  -9.272  -1.021  -1.700
  140    HG   LEU  14           HG       LEU  14 -10.669  -0.676   0.336
  141   1HD1  LEU  14          1HD1      LEU  14  -8.883   1.484   0.725
  142   2HD1  LEU  14          2HD1      LEU  14 -10.463   2.203   0.419
  143   3HD1  LEU  14          3HD1      LEU  14 -10.261   1.044   1.733
  144   1HD2  LEU  14          1HD2      LEU  14 -10.855   0.893  -2.162
  145   2HD2  LEU  14          2HD2      LEU  14 -12.050  -0.157  -1.402
  146   3HD2  LEU  14          3HD2      LEU  14 -11.848   1.501  -0.838
  147    H    LYS  15           H        LYS  15  -6.818  -0.819  -2.233
  148    HA   LYS  15           HA       LYS  15  -6.559  -3.439  -3.007
  149   1HB   LYS  15          1HB       LYS  15  -5.603  -1.351  -4.147
  150   2HB   LYS  15          2HB       LYS  15  -4.186  -1.571  -3.120
  151   1HG   LYS  15          1HG       LYS  15  -3.677  -3.679  -4.082
  152   2HG   LYS  15          2HG       LYS  15  -5.277  -3.821  -4.812
  153   1HD   LYS  15          1HD       LYS  15  -4.396  -1.478  -5.917
  154   2HD   LYS  15          2HD       LYS  15  -2.889  -2.385  -5.783
  155   1HE   LYS  15          1HE       LYS  15  -3.482  -3.799  -7.441
  156   2HE   LYS  15          2HE       LYS  15  -5.087  -4.045  -6.751
  157   1HZ   LYS  15          1HZ       LYS  15  -4.292  -1.635  -8.287
  158   2HZ   LYS  15          2HZ       LYS  15  -5.097  -2.967  -8.962
  159   3HZ   LYS  15          3HZ       LYS  15  -5.853  -2.041  -7.754
  160    H    LYS  16           H        LYS  16  -4.983  -1.920  -0.303
  161    HA   LYS  16           HA       LYS  16  -2.859  -3.759   0.113
  162   1HB   LYS  16          1HB       LYS  16  -4.362  -1.813   1.770
  163   2HB   LYS  16          2HB       LYS  16  -3.551  -3.104   2.657
  164   1HG   LYS  16          1HG       LYS  16  -1.796  -2.119   0.598
  165   2HG   LYS  16          2HG       LYS  16  -2.381  -0.764   1.565
  166   1HD   LYS  16          1HD       LYS  16  -1.680  -1.888   3.622
  167   2HD   LYS  16          2HD       LYS  16  -1.170  -3.302   2.700
  168   1HE   LYS  16          1HE       LYS  16   0.859  -2.200   2.896
  169   2HE   LYS  16          2HE       LYS  16   0.274  -1.500   1.385
  170   1HZ   LYS  16          1HZ       LYS  16  -0.556  -0.199   3.858
  171   2HZ   LYS  16          2HZ       LYS  16   1.072  -0.027   3.418
  172   3HZ   LYS  16          3HZ       LYS  16  -0.152   0.480   2.354
  173    H    LYS  17           H        LYS  17  -6.162  -3.775   1.477
  174    HA   LYS  17           HA       LYS  17  -5.774  -6.480   2.512
  175   1HB   LYS  17          1HB       LYS  17  -7.594  -4.293   2.978
  176   2HB   LYS  17          2HB       LYS  17  -8.501  -5.773   2.669
  177   1HG   LYS  17          1HG       LYS  17  -6.859  -6.892   4.328
  178   2HG   LYS  17          2HG       LYS  17  -6.451  -5.246   4.818
  179   1HD   LYS  17          1HD       LYS  17  -8.746  -4.783   5.421
  180   2HD   LYS  17          2HD       LYS  17  -9.281  -6.326   4.750
  181   1HE   LYS  17          1HE       LYS  17  -7.643  -7.409   6.426
  182   2HE   LYS  17          2HE       LYS  17  -7.624  -5.836   7.224
  183   1HZ   LYS  17          1HZ       LYS  17 -10.214  -6.132   6.969
  184   2HZ   LYS  17          2HZ       LYS  17  -9.795  -7.779   6.982
  185   3HZ   LYS  17          3HZ       LYS  17  -9.372  -6.780   8.291
  186    H    ILE  18           H        ILE  18  -7.848  -4.927   0.041
  187    HA   ILE  18           HA       ILE  18  -9.191  -7.241  -0.824
  188    HB   ILE  18           HB       ILE  18 -10.129  -5.381  -1.768
  189   1HG1  ILE  18          1HG1      ILE  18  -7.991  -6.131  -3.771
  190   2HG1  ILE  18          2HG1      ILE  18  -9.660  -6.703  -3.723
  191   1HG2  ILE  18          1HG2      ILE  18  -7.343  -4.325  -1.647
  192   2HG2  ILE  18          2HG2      ILE  18  -8.482  -3.544  -2.741
  193   3HG2  ILE  18          3HG2      ILE  18  -8.837  -3.629  -1.017
  194   1HD1  ILE  18          1HD1      ILE  18 -10.016  -3.986  -3.794
  195   2HD1  ILE  18          2HD1      ILE  18  -8.566  -4.172  -4.778
  196   3HD1  ILE  18          3HD1      ILE  18 -10.045  -5.024  -5.217
  197    H    LYS  19           H        LYS  19  -6.156  -5.804  -2.056
  198    HA   LYS  19           HA       LYS  19  -5.709  -7.924  -3.953
  199   1HB   LYS  19          1HB       LYS  19  -4.641  -5.627  -4.043
  200   2HB   LYS  19          2HB       LYS  19  -3.611  -6.130  -2.701
  201   1HG   LYS  19          1HG       LYS  19  -3.505  -8.210  -4.623
  202   2HG   LYS  19          2HG       LYS  19  -3.306  -6.696  -5.507
  203   1HD   LYS  19          1HD       LYS  19  -1.731  -6.266  -3.296
  204   2HD   LYS  19          2HD       LYS  19  -1.498  -7.993  -3.575
  205   1HE   LYS  19          1HE       LYS  19   0.099  -6.415  -4.815
  206   2HE   LYS  19          2HE       LYS  19  -0.716  -7.635  -5.794
  207   1HZ   LYS  19          1HZ       LYS  19  -2.177  -5.163  -5.493
  208   2HZ   LYS  19          2HZ       LYS  19  -0.708  -5.003  -6.330
  209   3HZ   LYS  19          3HZ       LYS  19  -1.889  -6.092  -6.883
  210    H    LYS  20           H        LYS  20  -5.405  -7.721  -0.571
  211    HA   LYS  20           HA       LYS  20  -3.247  -9.631  -0.270
  212   1HB   LYS  20          1HB       LYS  20  -4.598  -7.860   1.416
  213   2HB   LYS  20          2HB       LYS  20  -5.056  -9.459   2.004
  214   1HG   LYS  20          1HG       LYS  20  -2.183  -9.031   1.330
  215   2HG   LYS  20          2HG       LYS  20  -2.792  -8.258   2.794
  216   1HD   LYS  20          1HD       LYS  20  -2.682 -10.225   3.875
  217   2HD   LYS  20          2HD       LYS  20  -3.828 -10.915   2.726
  218   1HE   LYS  20          1HE       LYS  20  -1.154 -10.652   1.584
  219   2HE   LYS  20          2HE       LYS  20  -1.165 -11.669   3.023
  220   1HZ   LYS  20          1HZ       LYS  20  -3.391 -12.203   1.324
  221   2HZ   LYS  20          2HZ       LYS  20  -1.919 -12.415   0.503
  222   3HZ   LYS  20          3HZ       LYS  20  -2.220 -13.271   1.935
  223    H    LEU  21           H        LEU  21  -6.804  -9.814   0.177
  224    HA   LEU  21           HA       LEU  21  -6.871 -12.592   0.752
  225   1HB   LEU  21          1HB       LEU  21  -9.256 -12.421   0.215
  226   2HB   LEU  21          2HB       LEU  21  -8.737 -11.033   1.171
  227    HG   LEU  21           HG       LEU  21  -8.290 -10.012  -1.251
  228   1HD1  LEU  21          1HD1      LEU  21  -9.256 -12.368  -2.076
  229   2HD1  LEU  21          2HD1      LEU  21 -10.789 -11.523  -1.869
  230   3HD1  LEU  21          3HD1      LEU  21  -9.568 -10.879  -2.966
  231   1HD2  LEU  21          1HD2      LEU  21 -10.871 -10.195   0.305
  232   2HD2  LEU  21          2HD2      LEU  21  -9.709  -8.868   0.264
  233   3HD2  LEU  21          3HD2      LEU  21 -10.736  -9.186  -1.135
  234    H    GLU  22           H        GLU  22  -7.165 -10.849  -2.347
  235    HA   GLU  22           HA       GLU  22  -7.481 -13.336  -3.829
  236   1HB   GLU  22          1HB       GLU  22  -7.361 -11.861  -5.827
  237   2HB   GLU  22          2HB       GLU  22  -8.557 -11.303  -4.655
  238   1HG   GLU  22          1HG       GLU  22  -7.437  -9.375  -4.286
  239   2HG   GLU  22          2HG       GLU  22  -5.893 -10.215  -4.135
  240    H    GLU  23           H        GLU  23  -4.874 -12.087  -2.312
  241    HA   GLU  23           HA       GLU  23  -2.875 -12.271  -4.390
  242   1HB   GLU  23          1HB       GLU  23  -2.647 -10.977  -2.213
  243   2HB   GLU  23          2HB       GLU  23  -2.405 -12.531  -1.417
  244   1HG   GLU  23          1HG       GLU  23  -0.734 -12.432  -3.744
  245   2HG   GLU  23          2HG       GLU  23  -0.474 -10.964  -2.801
  246    H    ASP  24           H        ASP  24  -4.418 -14.553  -2.254
  247    HA   ASP  24           HA       ASP  24  -2.585 -16.664  -3.319
  248   1HB   ASP  24          1HB       ASP  24  -2.675 -15.975  -0.714
  249   2HB   ASP  24          2HB       ASP  24  -3.993 -17.148  -0.747
  250    H    ASN  25           H        ASN  25  -5.879 -15.770  -2.429
  251    HA   ASN  25           HA       ASN  25  -7.129 -18.286  -2.858
  252   1HB   ASN  25          1HB       ASN  25  -7.992 -15.449  -2.819
  253   2HB   ASN  25          2HB       ASN  25  -9.048 -16.556  -3.696
  254   1HD2  ASN  25          2HD2      ASN  25 -10.709 -16.439  -2.010
  255   2HD2  ASN  25          1HD2      ASN  25 -10.490 -17.199  -0.509
  256    HA   PRO  26           HA       PRO  26  -6.741 -18.751  -7.215
  257   1HB   PRO  26          1HB       PRO  26  -8.676 -20.680  -7.521
  258   2HB   PRO  26          2HB       PRO  26  -7.071 -21.002  -6.843
  259   1HG   PRO  26          1HG       PRO  26  -9.695 -20.799  -5.440
  260   2HG   PRO  26          2HG       PRO  26  -8.239 -21.694  -4.973
  261   1HD   PRO  26          1HD       PRO  26  -9.077 -19.210  -3.899
  262   2HD   PRO  26          2HD       PRO  26  -7.477 -19.955  -3.687
  263    H    TRP  27           H        TRP  27 -10.210 -19.261  -6.525
  264    HA   TRP  27           HA       TRP  27 -11.225 -18.033  -8.819
  265   1HB   TRP  27          1HB       TRP  27 -12.505 -19.296  -6.988
  266   2HB   TRP  27          2HB       TRP  27 -12.558 -17.764  -6.119
  267    HD1  TRP  27           HD1      TRP  27 -14.506 -16.234  -6.687
  268    HE1  TRP  27           HE1      TRP  27 -16.208 -16.055  -8.614
  269    HE3  TRP  27           HE3      TRP  27 -12.687 -19.841  -9.808
  270    HZ2  TRP  27           HZ2      TRP  27 -16.731 -17.282 -11.146
  271    HZ3  TRP  27           HZ3      TRP  27 -13.804 -20.317 -11.970
  272    HH2  TRP  27           HH2      TRP  27 -15.823 -19.041 -12.641