*HEADER    TOXIN                                   16-AUG-18   6EFE              
*TITLE     NMR SOLUTION STRUCTURE OF VIL14A                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KAPPA-CONOTOXIN VIL14A;                                    
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS VILLEPINII;                               
*SOURCE   3 ORGANISM_COMMON: VILLEPIN'S CONE;                                    
*SOURCE   4 ORGANISM_TAXID: 257347                                               
*KEYWDS    VIL14A, CONE SNAILS, F14 CONOTOXINS, R-SUPERFAMILY, NANONMR,          
*KEYWDS   2 STRUCTURAL CONVERGENCE, TOXIN                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    18                                                                    
*AUTHOR    S.DOVELL,F.MARI,C.MOLLER,C.MELAUN                                     
*REVDAT   1   05-SEP-18 6EFE    0                                                
# Restraints file 1: vil14a_restraints.tbl
!Distance restraints
! GLY 2
assign (resid    2 and  name HA#  ) (resid    2 and  name HN   ) 2.5 1.7 1.2
assign (resid    3 and  name HG   ) (resid    2 and  name HN   ) 4.0 2.2 1.0       
assign (resid    1 and  name HA#  ) (resid    2 and  name HN   ) 4.0 3.2 2.0

! LEU 3
assign (resid    3 and  name HA   ) (resid    3 and  name HN   ) 3.0 1.2 0.5
assign (resid    3 and  name HB#  ) (resid    3 and  name HN   ) 2.5 1.3 0.8  
assign (resid    2 and  name HA#  ) (resid    3 and  name HN   ) 2.5 1.7 1.2 
assign (resid    3 and  name HD#  ) (resid    3 and  name HN   ) 4.0 4.6 3.4      

! GLY 4
assign (resid    4 and  name HA1  ) (resid    4 and  name HN   ) 2.5 0.7 0.2 
assign (resid    4 and  name HA2  ) (resid    4 and  name HN   ) 2.5 0.7 0.2 
assign (resid    3 and  name HB2  ) (resid    4 and  name HN   ) 3.0 1.2 0.5 
assign (resid    3 and  name HA   ) (resid    4 and  name HN   ) 3.0 1.2 0.5

! ARG 5
assign (resid    5 and  name HA   ) (resid    5 and  name HN   ) 3.0 1.2 0.5
assign (resid    5 and  name HB#  ) (resid    5 and  name HN   ) 2.5 1.3 0.8 
assign (resid    5 and  name HG#  ) (resid    5 and  name HN   ) 4.0 3.2 2.0
assign (resid    5 and  name HD#  ) (resid    5 and  name HN   ) 4.0 3.2 2.0      
assign (resid    4 and  name HA1  ) (resid    5 and  name HN   ) 3.0 1.2 0.5
assign (resid    4 and  name HA2  ) (resid    5 and  name HN   ) 3.0 1.2 0.5     
assign (resid    3 and  name HA   ) (resid    5 and  name HN   ) 4.0 2.2 1.0 
assign (resid    8 and  name HB1  ) (resid    5 and  name HH#  ) 3.0 2.2 1.5
assign (resid    8 and  name HA   ) (resid    5 and  name HH#  ) 3.0 2.2 1.5     

! CYS 6
assign (resid    6 and  name HA   ) (resid    6 and  name HN   ) 3.0 1.2 0.5
assign (resid    6 and  name HB1  ) (resid    6 and  name HN   ) 3.0 1.2 0.5
assign (resid    6 and  name HB2  ) (resid    6 and  name HN   ) 3.0 1.2 0.5
assign (resid    5 and  name HB1  ) (resid    6 and  name HN   ) 3.0 1.2 0.5
assign (resid    5 and  name HA   ) (resid    6 and  name HN   ) 3.0 1.2 0.5          
assign (resid    4 and  name HA#  ) (resid    6 and  name HN   ) 4.0 3.2 2.0       
! ILE 7
assign (resid    7 and  name HA   ) (resid    7 and  name HN   ) 3.0 1.2 0.5
assign (resid    7 and  name HB   ) (resid    7 and  name HN   ) 2.5 0.7 0.2 
assign (resid    7 and  name HG11 ) (resid    7 and  name HN   ) 2.5 0.7 0.2
assign (resid    7 and  name HG12 ) (resid    7 and  name HN   ) 3.0 1.2 0.5      

assign (resid    7 and  name HG2# ) (resid    7 and  name HN   ) 3.0 2.2 1.5
assign (resid    7 and  name HD#  ) (resid    7 and  name HN   ) 3.0 2.2 1.5       
assign (resid    6 and  name HA   ) (resid    7 and  name HN   ) 3.0 1.2 0.5
assign (resid    6 and  name HB1  ) (resid    7 and  name HN   ) 3.0 1.2 0.5     
assign (resid    6 and  name HB2  ) (resid    7 and  name HN   ) 3.0 1.2 0.5          

! TYR 8
assign (resid    8 and  name HA   ) (resid    8 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HB1  ) (resid    8 and  name HN   ) 2.5 1.7 1.2
assign (resid    8 and  name HB2  ) (resid    8 and  name HN   ) 3.0 1.2 0.5      
assign (resid    7 and  name HB   ) (resid    8 and  name HN   ) 3.0 1.2 0.5           
assign (resid    7 and  name HG11 ) (resid    8 and  name HN   ) 4.0 2.2 1.0     
assign (resid    7 and  name HG12 ) (resid    8 and  name HN   ) 4.0 2.2 1.0          
assign (resid    9 and  name HB#  ) (resid    8 and  name HN   ) 4.0 3.2 2.0
assign (resid    9 and  name HA   ) (resid    8 and  name HE#  ) 4.0 4.6 3.4
assign (resid    8 and  name HA   ) (resid    8 and  name HE#  ) 4.0 4.2 3.0 
assign (resid    8 and  name HB1  ) (resid    8 and  name HE#  ) 4.0 4.6 3.4     
assign (resid    8 and  name HB2  ) (resid    8 and  name HE#  ) 4.0 4.6 3.4          
assign (resid    9 and  name HA   ) (resid    8 and  name HD#  ) 3.0 3.6 2.9      
assign (resid    8 and  name HA   ) (resid    8 and  name HD#  ) 3.0 3.6 2.9     
assign (resid    8 and  name HB1  ) (resid    8 and  name HD#  ) 2.5 3.1 2.6 
assign (resid    8 and  name HB2  ) (resid    8 and  name HD#  ) 2.5 3.1 2.6           
assign (resid    9 and  name HB1  ) (resid    8 and  name HD#  ) 4.0 3.6 2.4 
assign (resid    9 and  name HB2  ) (resid    8 and  name HD#  ) 4.0 3.6 2.4      
assign (resid    8 and  name HN   ) (resid    8 and  name HD#  ) 4.0 3.2 2.0
assign (resid    7 and  name HA   ) (resid    8 and  name HN   ) 4.0 2.2 1.0     

! ASN 9
assign (resid    9 and  name HA   ) (resid    9 and  name HN   ) 2.5 0.7 0.2
assign (resid    9 and  name HB1  ) (resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    9 and  name HB2  ) (resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HB1  ) (resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HB2  ) (resid    9 and  name HN   ) 3.0 1.2 0.5
assign (resid    8 and  name HA   ) (resid    9 and  name HN   ) 3.0 1.2 0.5     
assign (resid    9 and  name HB1  ) (resid    9 and  name HD#  ) 4.0 3.2 2.0      
assign (resid    9 and  name HB2  ) (resid    9 and  name HD#  ) 4.0 3.2 2.0      
assign (resid    8 and  name HD#  ) (resid    9 and  name HN   ) 3.0 3.6 2.9     
assign (resid    9 and  name HD21 ) (resid    9 and  name HN   ) 4.0 2.2 1.0     
assign (resid    9 and  name HD22 ) (resid    9 and  name HN   ) 4.0 2.2 1.0     
assign (resid    5 and  name HA   ) (resid    9 and  name HN   ) 3.0 1.2 0.5     

! CYS 10
assign (resid   10 and  name HA   ) (resid   10 and  name HN   ) 2.5 0.7 0.2 
assign (resid   10 and  name HB1  ) (resid   10 and  name HN   ) 2.5 0.7 0.2 
assign (resid   10 and  name HB2  ) (resid   10 and  name HN   ) 2.5 0.7 0.2     
assign (resid    9 and  name HA   ) (resid   10 and  name HN   ) 3.0 1.2 0.5
assign (resid    9 and  name HB2  ) (resid   10 and  name HN   ) 3.0 1.2 0.5
assign (resid    9 and  name HB1  ) (resid   10 and  name HN   ) 4.0 2.2 1.0           
assign (resid    7 and  name HA   ) (resid   10 and  name HN   ) 3.0 1.2 0.5
! MET 11
assign (resid   11 and  name HA   ) (resid   11 and  name HN   ) 3.0 1.2 0.5
assign (resid   11 and  name HG1  ) (resid   11 and  name HN   ) 3.0 1.2 0.5
assign (resid   11 and  name HG2  ) (resid   11 and  name HN   ) 3.0 1.2 0.5     
assign (resid   11 and  name HB#  ) (resid   11 and  name HN   ) 3.0 2.2 1.5
assign (resid   11 and  name HE#  ) (resid   11 and  name HN   ) 3.0 2.2 1.5      
assign (resid   10 and  name HA   ) (resid   11 and  name HN   ) 3.0 1.2 0.5
assign (resid    7 and  name HA   ) (resid   11 and  name HN   ) 4.0 2.2 1.0 
assign (resid   10 and  name HB1  ) (resid   11 and  name HN   ) 3.0 1.2 0.5
assign (resid   10 and  name HB2  ) (resid   11 and  name HN   ) 3.0 1.2 0.5     
! ASN 12
assign (resid   12 and  name HA   ) (resid   12 and  name HN   ) 3.0 1.2 0.5
assign (resid   12 and  name HB1  ) (resid   12 and  name HN   ) 3.0 1.2 0.5
assign (resid   12 and  name HB2  ) (resid   12 and  name HN   ) 3.0 1.2 0.5     
assign (resid   11 and  name HA   ) (resid   12 and  name HN   ) 3.0 1.2 0.5     
assign (resid    8 and  name HA   ) (resid   12 and  name HN   ) 3.0 1.2 0.5
! GLY 16
assign (resid   16 and  name HA2  ) (resid   16 and  name HN   ) 2.5 0.7 0.2
assign (resid   16 and  name HA1  ) (resid   16 and  name HN   ) 2.5 0.7 0.2      
assign (resid   14 and  name HA#  ) (resid   16 and  name HN   ) 4.0 3.2 2.0     
! SER 13
assign (resid   13 and  name HA   ) (resid   13 and  name HN   ) 2.5 0.7 0.2
assign (resid   13 and  name HB#  ) (resid   13 and  name HN   ) 3.0 1.8 1.1 
assign (resid   12 and  name HA   ) (resid   13 and  name HN   ) 3.0 1.2 0.5

assign (resid   12 and  name HD2# ) (resid   13 and  name HN   ) 3.0 2.2 1.5
! GLY 14
assign (resid   14 and  name HA1  ) (resid   14 and  name HN   ) 2.5 0.7 0.2  
assign (resid   14 and  name HA2  ) (resid   14 and  name HN   ) 2.5 0.7 0.2     
assign (resid   13 and  name HA   ) (resid   14 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HA#  ) (resid   14 and  name HN   ) 3.0 2.2 1.5

! GLY 15
assign (resid   15 and  name HA1  ) (resid   15 and  name HN   ) 2.5 0.7 0.2
assign (resid   15 and  name HA2  ) (resid   15 and  name HN   ) 2.5 1.7 1.2          
assign (resid   14 and  name HA1  ) (resid   15 and  name HN   ) 3.0 1.2 0.5     
assign (resid   14 and  name HA2  ) (resid   15 and  name HN   ) 3.0 1.2 0.5         
assign (resid   13 and  name HA   ) (resid   15 and  name HN   ) 4.0 2.2 1.0
! LEU 17
assign (resid   17 and  name HA   ) (resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HB#  ) (resid   17 and  name HN   ) 3.0 1.8 1.1  
assign (resid   17 and  name HG   ) (resid   17 and  name HN   ) 3.0 1.2 0.5      
assign (resid   17 and  name HD1# ) (resid   17 and  name HN   ) 4.0 3.2 2.0
assign (resid   17 and  name HD2# ) (resid   17 and  name HN   ) 4.0 3.2 2.0

assign (resid   16 and  name HA#  ) (resid   17 and  name HN   ) 3.0 2.2 1.5     
! SER 18
assign (resid   18 and  name HA   ) (resid   18 and  name HN   ) 3.0 1.2 0.5 
assign (resid   18 and  name HB2  ) (resid   18 and  name HN   ) 2.5 0.7 0.2      
assign (resid   18 and  name HB1  ) (resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HA   ) (resid   18 and  name HN   ) 3.0 1.2 0.5     
assign (resid   21 and  name HG#  ) (resid   18 and  name HN   ) 3.0 2.2 1.5 
assign (resid   21 and  name HB#  ) (resid   18 and  name HN   ) 4.0 3.2 2.0          
assign (resid   17 and  name HG   ) (resid   18 and  name HN   ) 3.0 1.2 0.5
! PHE 19
assign (resid   19 and  name HA   ) (resid   19 and  name HN   ) 3.0 1.2 0.5 
assign (resid   19 and  name HB1  ) (resid   19 and  name HN   ) 3.0 1.2 0.5    
assign (resid   19 and  name HB2  ) (resid   19 and  name HN   ) 3.0 1.2 0.5 
assign (resid   18 and  name HA   ) (resid   19 and  name HN   ) 2.5 1.7 0.2         
assign (resid   18 and  name HB1  ) (resid   19 and  name HN   ) 3.0 1.2 0.5    
assign (resid   18 and  name HB2  ) (resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HN   ) (resid   19 and  name HD#  ) 4.0 4.6 3.4
assign (resid   19 and  name HA   ) (resid   19 and  name HD#  ) 3.0 3.2 2.5 
assign (resid   19 and  name HA   ) (resid   19 and  name HE#  ) 4.0 4.2 3.0 
assign (resid   19 and  name HB1  ) (resid   19 and  name HD#  ) 3.0 3.6 2.9     
assign (resid   19 and  name HB1  ) (resid   19 and  name HE#  ) 4.0 4.6 3.4     
assign (resid   19 and  name HB2  ) (resid   19 and  name HD#  ) 3.0 2.6 1.9          
assign (resid   19 and  name HB2  ) (resid   19 and  name HE#  ) 4.0 4.6 3.4          
assign (resid    7 and  name HG11 ) (resid   19 and  name HD#  ) 3.0 3.6 2.9
assign (resid    7 and  name HG11 ) (resid   19 and  name HE#  ) 3.0 3.6 2.9

assign (resid    7 and  name HG2# ) (resid   19 and  name HD#  ) 4.0 5.6 4.4

assign (resid    7 and  name HG2# ) (resid   19 and  name HE#  ) 3.0 4.6 3.9

assign (resid   11 and  name HE#  ) (resid   19 and  name HN   ) 4.0 3.2 2.0 
assign (resid   11 and  name HE#  ) (resid   19 and  name HD#  ) 4.0 5.6 4.4     

assign (resid   20 and  name HA   ) (resid   19 and  name HD#  ) 3.0 3.6 2.9
assign (resid   20 and  name HA   ) (resid   19 and  name HE#  ) 4.0 4.6 3.4

assign (resid   20 and  name HG1# ) (resid   19 and  name HE#  ) 3.0 4.6 3.9
assign (resid   20 and  name HD#  ) (resid   19 and  name HD#  ) 4.0 5.6 4.4
assign (resid   20 and  name HD#  ) (resid   19 and  name HE#  ) 4.0 5.6 4.4
! ILE 20
assign (resid   20 and  name HA   ) (resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HB   ) (resid   20 and  name HN   ) 3.0 1.2 0.5           
assign (resid   20 and  name HG11 ) (resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HG12 ) (resid   20 and  name HN   ) 3.0 1.2 0.5     
assign (resid   20 and  name HD#  ) (resid   20 and  name HN   ) 3.0 2.2 1.5           
assign (resid   19 and  name HA   ) (resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HB1  ) (resid   20 and  name HN   ) 3.0 1.2 0.5    
assign (resid   19 and  name HB2  ) (resid   20 and  name HN   ) 3.0 1.2 0.5          
assign (resid   19 and  name HD#  ) (resid   20 and  name HN   ) 4.0 4.6 3.4
assign (resid   18 and  name HA   ) (resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HB1  ) (resid   20 and  name HN   ) 3.0 2.2 1.5          
assign (resid   18 and  name HB2  ) (resid   20 and  name HN   ) 4.0 3.2 2.0         
! GLN 21
assign (resid   21 and  name HA   ) (resid   21 and  name HN   ) 3.0 1.2 0.5
assign (resid   21 and  name HB#  ) (resid   21 and  name HN   ) 3.0 1.8 1.1 
assign (resid   21 and  name HG#  ) (resid   21 and  name HN   ) 2.5 1.7 1.2
assign (resid   20 and  name HD#  ) (resid   21 and  name HN   ) 4.0 3.2 2.0
assign (resid   20 and  name HA   ) (resid   21 and  name HN   ) 3.0 1.2 0.5           
assign (resid   21 and  name HG1  ) (resid   21 and  name HE21 ) 3.0 1.2 0.5
assign (resid   21 and  name HG2  ) (resid   21 and  name HE22 ) 3.0 1.2 0.5 
assign (resid   18 and  name HA   ) (resid   21 and  name HN   ) 4.0 2.2 1.0      

! CYS 22
assign (resid   22 and  name HA   ) (resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   22 and  name HB2  ) (resid   22 and  name HN   ) 2.5 0.7 0.2          
assign (resid   22 and  name HB1  ) (resid   22 and  name HN   ) 3.0 1.2 0.5     
assign (resid   21 and  name HG#  ) (resid   22 and  name HN   ) 3.0 2.2 1.5
assign (resid   21 and  name HA   ) (resid   22 and  name HN   ) 3.0 2.2 1.5    
assign (resid   10 and  name HB#  ) (resid   22 and  name HN   ) 4.0 3.2 2.0      

! LYS 23
assign (resid   23 and  name HA   ) (resid   23 and  name HN   ) 3.0 1.2 0.5
assign (resid   23 and  name HB#  ) (resid   23 and  name HN   ) 3.0 1.8 1.1 
assign (resid   23 and  name HG#  ) (resid   23 and  name HN   ) 3.0 2.2 1.5
assign (resid   23 and  name HD#  ) (resid   23 and  name HN   ) 3.0 2.2 1.5
assign (resid   22 and  name HA   ) (resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HA   ) (resid   23 and  name HN   ) 3.0 1.2 0.5                 
assign (resid   22 and  name HB1  ) (resid   23 and  name HN   ) 3.0 2.2 1.5     
assign (resid   22 and  name HB2  ) (resid   23 and  name HN   ) 3.0 2.2 1.5               
assign (resid   19 and  name HA   ) (resid   23 and  name HN   ) 3.0 1.2 0.5

! THR 24
assign (resid   24 and  name HA   ) (resid   24 and  name HN   ) 3.0 1.2 0.5
assign (resid   24 and  name HB   ) (resid   24 and  name HN   ) 2.5 0.7 1.2
assign (resid   24 and  name HG#  ) (resid   24 and  name HN   ) 3.0 2.2 1.5
assign (resid   20 and  name HA   ) (resid   24 and  name HN   ) 4.0 2.2 1.0     

assign (resid   23 and  name HA   ) (resid   24 and  name HN   ) 3.0 1.2 0.5
assign (resid   23 and  name HB#  ) (resid   24 and  name HN   ) 3.0 2.2 1.5
! MET 25
assign (resid   25 and  name HA   ) (resid   25 and  name HN   ) 2.5 0.7 0.2
assign (resid   25 and  name HB#  ) (resid   25 and  name HN   ) 2.5 1.3 0.8 
assign (resid   25 and  name HG1  ) (resid   25 and  name HN   ) 3.0 1.2 0.5
assign (resid   25 and  name HG2  ) (resid   25 and  name HN   ) 3.0 1.2 0.5
assign (resid   25 and  name HE#  ) (resid   25 and  name HN   ) 4.0 3.2 2.0 
assign (resid   24 and  name HA   ) (resid   25 and  name HN   ) 3.0 1.2 0.5     
assign (resid   22 and  name HA   ) (resid   25 and  name HN   ) 3.0 1.2 0.5         
! CYS 26
assign (resid   26 and  name HA   ) (resid   26 and  name HN   ) 3.0 1.2 0.5
assign (resid   26 and  name HB1  ) (resid   26 and  name HN   ) 3.0 1.2 0.5    
assign (resid   26 and  name HB2  ) (resid   26 and  name HN   ) 3.0 1.2 0.5         
assign (resid   25 and  name HA   ) (resid   26 and  name HN   ) 3.0 1.2 0.5          
! TYR 27
assign (resid   27 and  name HA   ) (resid   27 and  name HN   ) 3.0 1.2 0.5  
assign (resid   27 and  name HB1  ) (resid   27 and  name HN   ) 2.5 0.7 0.2          
assign (resid   27 and  name HB2  ) (resid   27 and  name HN   ) 2.5 0.7 0.2
assign (resid   27 and  name HD#  ) (resid   27 and  name HE#  ) 2.5 5.5 5.0
assign (resid   26 and  name HA   ) (resid   27 and  name HD#  ) 4.0 4.6 3.4
!NH(i)-NH(i+1)
assign (resid    4 and  name HN   ) (resid    5 and  name HN   ) 3.0 1.2 0.5       
assign (resid    5 and  name HN   ) (resid    6 and  name HN   ) 3.0 1.2 0.5
assign (resid    6 and  name HN   ) (resid    7 and  name HN   ) 3.0 1.2 0.5       
assign (resid    7 and  name HN   ) (resid    8 and  name HN   ) 3.0 1.2 0.5  
assign (resid    8 and  name HN   ) (resid    9 and  name HN   ) 3.0 1.2 0.5  
assign (resid    9 and  name HN   ) (resid   10 and  name HN   ) 3.0 1.2 0.5  
assign (resid   10 and  name HN   ) (resid   11 and  name HN   ) 3.0 1.2 0.5  
assign (resid   11 and  name HN   ) (resid   12 and  name HN   ) 3.0 1.2 0.5  
assign (resid   12 and  name HN   ) (resid   13 and  name HN   ) 3.0 1.2 0.5

assign (resid   13 and  name HN   ) (resid   14 and  name HN   ) 3.0 1.2 0.5
assign (resid   14 and  name HN   ) (resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HN   ) (resid   16 and  name HN   ) 3.0 1.2 0.5     
assign (resid   16 and  name HN   ) (resid   17 and  name HN   ) 3.0 1.2 0.5     
assign (resid   17 and  name HN   ) (resid   18 and  name HN   ) 3.0 1.2 0.5       
assign (resid   19 and  name HN   ) (resid   20 and  name HN   ) 3.0 1.2 0.5  
assign (resid   20 and  name HN   ) (resid   21 and  name HN   ) 3.0 1.2 0.5  
assign (resid   21 and  name HN   ) (resid   22 and  name HN   ) 3.0 1.2 0.5  
assign (resid   22 and  name HN   ) (resid   23 and  name HN   ) 3.0 1.2 0.5  
assign (resid   23 and  name HN   ) (resid   24 and  name HN   ) 3.0 1.2 0.5  
!NH(i)-NH(i+2)
assign (resid    2 and  name HN   ) (resid    4 and  name HN   ) 3.0 1.2 0.5      
assign (resid   10 and  name HN   ) (resid   12 and  name HN   ) 4.0 2.2 1.0 
assign (resid   11 and  name HN   ) (resid   13 and  name HN   ) 4.0 2.2 1.0   
assign (resid   21 and  name HN   ) (resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HN   ) (resid   26 and  name HN   ) 4.0 2.2 1.0      
!NH(i)-NH(i+3)
assign (resid   11 and  name HN   ) (resid    8 and  name HN   ) 4.0 2.2 1.0    
!CaH-CaH
assign (resid   14 and  name HA1  ) (resid   14 and  name HA2  ) 2.5 0.7 0.2     
assign (resid   15 and  name HA1  ) (resid   15 and  name HA2  ) 2.5 0.7 0.2     
assign (resid    4 and  name HA1  ) (resid    4 and  name HA2  ) 2.5 0.7 0.2     
assign (resid   16 and  name HA1  ) (resid   16 and  name HA2  ) 2.5 0.7 0.2         
!CaH-CbH
assign (resid    3 and  name HA   ) (resid    3 and  name HB#  ) 2.5 1.7 1.2
assign (resid    5 and  name HA   ) (resid    5 and  name HB#  ) 2.5 1.7 1.2 
assign (resid    5 and  name HA   ) (resid    8 and  name HB#  ) 4.0 3.2 2.0 
assign (resid    6 and  name HA   ) (resid    6 and  name HB#  ) 3.0 2.2 1.5
assign (resid    7 and  name HA   ) (resid    7 and  name HB   ) 3.0 1.2 0.5
assign (resid    8 and  name HA   ) (resid    8 and  name HB#  ) 3.0 2.2 1.5
assign (resid   10 and  name HA   ) (resid   10 and  name HB#  ) 4.0 3.2 2.0
assign (resid   10 and  name HA   ) (resid   11 and  name HB#  ) 4.0 3.2 2.0
assign (resid   11 and  name HA   ) (resid   11 and  name HB#  ) 3.0 2.2 1.5
assign (resid   12 and  name HA   ) (resid   12 and  name HB1  ) 3.0 1.2 0.5
assign (resid   12 and  name HA   ) (resid   12 and  name HB2  ) 3.0 1.2 0.5
assign (resid   17 and  name HA   ) (resid   17 and  name HB#  ) 3.0 2.2 1.5
assign (resid   19 and  name HA   ) (resid   22 and  name HB#  ) 4.0 3.2 2.0   
assign (resid   19 and  name HA   ) (resid   19 and  name HB1  ) 3.0 1.2 0.5
assign (resid   19 and  name HA   ) (resid   19 and  name HB2  ) 3.0 1.2 0.5
assign (resid   20 and  name HA   ) (resid   20 and  name HB   ) 3.0 1.2 0.5
assign (resid   21 and  name HA   ) (resid   21 and  name HB#  ) 3.0 2.2 1.5
assign (resid   22 and  name HA   ) (resid   22 and  name HB1  ) 3.0 1.2 0.5     
assign (resid   22 and  name HA   ) (resid   22 and  name HB2  ) 3.0 1.2 0.5     
assign (resid   22 and  name HA   ) (resid   25 and  name HB#  ) 3.0 2.2 1.5      
assign (resid   23 and  name HA   ) (resid   23 and  name HB#  ) 3.0 2.2 1.5
assign (resid   25 and  name HA   ) (resid   25 and  name HB#  ) 3.0 2.2 1.5
assign (resid   26 and  name HA   ) (resid   26 and  name HB1  ) 3.0 1.2 0.5
assign (resid   26 and  name HA   ) (resid   26 and  name HB2  ) 3.0 1.2 0.5    
assign (resid   26 and  name HA   ) (resid   27 and  name HB#  ) 3.0 2.2 1.5 
assign (resid   27 and  name HA   ) (resid   27 and  name HB#  ) 3.0 2.2 1.5
   
!CaH-CgH
assign (resid    3 and  name HA   ) (resid    7 and  name HG11 ) 4.0 2.2 1.0     
assign (resid    5 and  name HA   ) (resid    5 and  name HG#  ) 3.0 1.8 1.1 
assign (resid    7 and  name HA   ) (resid    7 and  name HG11 ) 3.0 1.2 0.5     
assign (resid    7 and  name HA   ) (resid    7 and  name HG12 ) 3.0 1.2 0.5      

assign (resid    7 and  name HA   ) (resid    7 and  name HG2# ) 3.0 1.8 1.1 
assign (resid   11 and  name HA   ) (resid   11 and  name HG1  ) 3.0 1.2 0.5     

assign (resid   11 and  name HA   ) (resid   11 and  name HG2  ) 3.0 1.2 0.5     

assign (resid   17 and  name HA   ) (resid   17 and  name HG   ) 3.0 1.2 0.5     
assign (resid   20 and  name HA   ) (resid   20 and  name HG1# ) 3.0 1.8 1.1 
assign (resid   20 and  name HA   ) (resid   24 and  name HG#  ) 4.0 3.2 2.0       
assign (resid   21 and  name HA   ) (resid   21 and  name HG#  ) 2.5 1.3 0.8 
assign (resid   23 and  name HA   ) (resid   23 and  name HG#  ) 3.0 1.8 1.1 
assign (resid   24 and  name HA   ) (resid   24 and  name HG#  ) 2.5 1.3 0.8 
!CaH-CdH
assign (resid    3 and  name HA   ) (resid    3 and  name HD#  ) 3.0 2.9 2.2

assign (resid    5 and  name HA   ) (resid    5 and  name HD#  ) 4.0 3.2 2.0      
assign (resid    7 and  name HA   ) (resid    7 and  name HD#  ) 3.0 3.2 2.5
assign (resid   15 and  name HA#  ) (resid   17 and  name HD2# ) 4.0 4.2 3.0

assign (resid   17 and  name HA   ) (resid   17 and  name HD1# ) 3.0 2.2 1.5 
assign (resid   17 and  name HA   ) (resid   17 and  name HD2# ) 3.0 2.2 1.5 
assign (resid   20 and  name HB   ) (resid   20 and  name HD#  ) 3.0 2.2 1.5
assign (resid   21 and  name HA   ) (resid   20 and  name HD#  ) 4.0 3.2 2.0     
assign (resid   23 and  name HA   ) (resid   23 and  name HD#  ) 3.0 2.2 1.5
assign (resid   18 and  name HA   ) (resid   17 and  name HD1# ) 4.0 3.2 2.0      
!CaH-CeH
assign (resid   11 and  name HA   ) (resid   11 and  name HE#  ) 3.0 2.2 1.5
assign (resid   18 and  name HA   ) (resid   11 and  name HE#  ) 3.0 3.2 2.5 
assign (resid   19 and  name HA   ) (resid   11 and  name HE#  ) 3.0 3.2 2.5 
!CbH-CbH
assign (resid   19 and  name HB1  ) (resid   19 and  name HB2  ) 2.5 0.7 0.2
assign (resid   22 and  name HB1  ) (resid   22 and  name HB2  ) 2.5 0.7 0.2
assign (resid   27 and  name HB1  ) (resid   27 and  name HB2  ) 2.5 0.7 0.2
!CbH-CgH
assign (resid    6 and  name HB#  ) (resid    7 and  name HG1# ) 3.0 2.2 1.5

assign (resid    7 and  name HB   ) (resid    7 and  name HG2# ) 3.0 2.2 1.5     
assign (resid    7 and  name HB   ) (resid    7 and  name HG11 ) 2.5 0.7 0.2     
assign (resid   11 and  name HB#  ) (resid   11 and  name HG1  ) 3.0 2.2 1.5     
assign (resid   11 and  name HB#  ) (resid   11 and  name HG2  ) 3.0 2.2 1.5     
assign (resid   18 and  name HB#  ) (resid   21 and  name HG#  ) 3.0 2.2 1.5 
assign (resid   20 and  name HB   ) (resid   20 and  name HG1# ) 3.0 2.2 1.5
assign (resid   21 and  name HB#  ) (resid   21 and  name HG#  ) 2.5 2.7 2.2
assign (resid   24 and  name HB   ) (resid   24 and  name HG#  ) 3.0 2.2 1.5
assign (resid   23 and  name HB2  ) (resid   23 and  name HG#  ) 2.5 1.7 1.2     
assign (resid   23 and  name HB1  ) (resid   23 and  name HG#  ) 3.0 2.2 1.5     
assign (resid   25 and  name HB#  ) (resid   25 and  name HG1# ) 3.0 3.2 2.5
assign (resid   25 and  name HB#  ) (resid   25 and  name HG2# ) 3.0 3.2 2.5
!CbH-CdH
assign (resid    3 and  name HB#  ) (resid    3 and  name HD#  ) 2.5 4.1 3.6

assign (resid    7 and  name HB   ) (resid    7 and  name HD#  ) 3.0 2.2 1.5
assign (resid   17 and  name HB1  ) (resid   17 and  name HD#  ) 3.0 4.6 3.9 
assign (resid   17 and  name HB2  ) (resid   17 and  name HD#  ) 3.0 4.6 3.9     
assign (resid   18 and  name HB1  ) (resid   17 and  name HD1# ) 4.0 3.2 2.0  

assign (resid   18 and  name HB2  ) (resid   17 and  name HD1# ) 3.0 2.2 1.5   

assign (resid   21 and  name HB#  ) (resid   17 and  name HD2# ) 4.0 4.2 3.0 
assign (resid   20 and  name HB   ) (resid   20 and  name HD#  ) 3.0 2.2 1.5
assign (resid   23 and  name HB#  ) (resid   23 and  name HD#  ) 2.5 2.7 2.2
!CbH-CeH
assign (resid   11 and  name HB#  ) (resid   11 and  name HE#  ) 2.5 2.7 2.2
assign (resid   18 and  name HB#  ) (resid   11 and  name HE#  ) 4.0 4.2 3.0 

assign (resid   19 and  name HB1  ) (resid   11 and  name HE#  ) 3.0 2.2 1.5     

assign (resid   19 and  name HB2  ) (resid   11 and  name HE#  ) 3.0 2.2 1.5     

assign (resid   23 and  name HB#  ) (resid   23 and  name HE#  ) 4.0 4.2 3.0      
!CgH-CgH
assign (resid    7 and  name HG11 ) (resid    7 and  name HG2# ) 2.5 1.7 1.2     
assign (resid    7 and  name HG11 ) (resid    7 and  name HG12 ) 3.0 1.2 0.5

assign (resid    7 and  name HG12 ) (resid    7 and  name HG2# ) 2.5 1.7 1.2    

assign (resid    7 and  name HG11 ) (resid   11 and  name HG2  ) 3.0 1.2 0.5    
assign (resid    7 and  name HG11 ) (resid   11 and  name HG1  ) 3.0 1.2 0.5    
assign (resid   11 and  name HG1  ) (resid   11 and  name HG2  ) 2.5 0.7 0.2     
assign (resid   21 and  name HG#  ) (resid   20 and  name HG1# ) 4.0 4.2 3.0      
assign (resid    7 and  name HG1# ) (resid    3 and  name HD#  ) 4.0 6.6 5.4   
!CgH-CdH
assign (resid    5 and  name HG#  ) (resid    5 and  name HD#  ) 3.0 3.2 2.5
assign (resid    7 and  name HD#  ) (resid    7 and  name HG12 ) 2.5 1.7 1.2     
assign (resid   17 and  name HG   ) (resid   17 and  name HD#  ) 3.0 2.2 1.5 
assign (resid   20 and  name HG11 ) (resid   20 and  name HD#  ) 3.0 2.2 1.5     
assign (resid   20 and  name HG12 ) (resid   20 and  name HD#  ) 3.0 2.2 1.5     
assign (resid   20 and  name HD#  ) (resid   21 and  name HG#  ) 3.0 3.2 2.5  
!CgH-CeH
assign (resid   11 and  name HG1  ) (resid   11 and  name HE#  ) 3.0 2.2 1.5     

assign (resid   11 and  name HG2  ) (resid   11 and  name HE#  ) 3.0 2.2 1.5     

assign (resid   17 and  name HD#  ) (resid   25 and  name HE#  ) 4.0 4.2 3.0
assign (resid   23 and  name HG#  ) (resid   23 and  name HE#  ) 3.0 3.2 2.5   
assign (resid   25 and  name HE#  ) (resid   25 and  name HG#  ) 4.0 4.2 3.0          
!long range
assign (resid    7 and  name HA   ) (resid   22 and  name HB#  ) 4.0 3.2 2.0 
assign (resid    7 and  name HG2# ) (resid   22 and  name HB#  ) 4.0 4.2 3.0        
assign (resid    7 and  name HG11 ) (resid   22 and  name HB1  ) 3.0 1.2 0.5     
assign (resid    7 and  name HG11 ) (resid   22 and  name HB2  ) 3.0 1.2 0.5    
assign (resid    7 and  name HG2# ) (resid   23 and  name HE#  ) 4.0 4.2 3.0    
assign (resid    7 and  name HD#  ) (resid   23 and  name HA   ) 3.0 2.2 1.5               
assign (resid    7 and  name HG2# ) (resid   23 and  name HA   ) 3.0 2.2 1.5           
assign (resid   10 and  name HB#  ) (resid   22 and  name HB#  ) 4.0 4.2 3.0    
assign (resid   27 and  name HB#  ) (resid    3 and  name HD#  ) 3.0 5.6 4.9
assign (resid   26 and  name HB#  ) (resid    3 and  name HD#  ) 3.0 5.6 4.9      





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1          1HT       GLY   1  -8.038  -8.075   5.409
    2    H2   GLY   1          2HT       GLY   1  -8.558  -8.702   3.919
    3    H3   GLY   1          3HT       GLY   1  -8.251  -7.040   4.084
    4    HA2  GLY   1          2HA       GLY   1  -6.157  -9.103   4.463
    5    HA3  GLY   1          1HA       GLY   1  -6.478  -8.339   2.904
    6    H    GLY   2           H        GLY   2  -5.154  -6.644   2.509
    7    HA2  GLY   2          2HA       GLY   2  -4.760  -4.537   4.469
    8    HA3  GLY   2          1HA       GLY   2  -3.305  -5.508   4.241
    9    H    LEU   3           H        LEU   3  -2.725  -5.847   1.828
   10    HA   LEU   3           HA       LEU   3  -1.961  -3.521   0.570
   11    HB2  LEU   3          2HB       LEU   3  -2.866  -6.198  -0.498
   12    HB3  LEU   3          1HB       LEU   3  -2.193  -4.963  -1.564
   13    HG   LEU   3           HG       LEU   3  -0.648  -5.479   0.907
   14   HD11  LEU   3          1HD1      LEU   3   0.003  -7.439  -1.165
   15   HD12  LEU   3          2HD1      LEU   3  -1.591  -7.708  -0.462
   16   HD13  LEU   3          3HD1      LEU   3  -0.166  -7.665   0.575
   17   HD21  LEU   3          1HD2      LEU   3   1.061  -5.648  -1.193
   18   HD22  LEU   3          2HD2      LEU   3   0.554  -4.114  -0.485
   19   HD23  LEU   3          3HD2      LEU   3  -0.243  -4.721  -1.936
   20    H    GLY   4           H        GLY   4  -5.107  -5.136   0.200
   21    HA2  GLY   4          2HA       GLY   4  -6.224  -3.562  -1.814
   22    HA3  GLY   4          1HA       GLY   4  -7.168  -4.281  -0.511
   23    H    ARG   5           H        ARG   5  -6.449  -2.976   1.699
   24    HA   ARG   5           HA       ARG   5  -7.487  -0.254   1.238
   25    HB2  ARG   5          2HB       ARG   5  -7.423  -2.266   3.309
   26    HB3  ARG   5          1HB       ARG   5  -6.856  -0.727   3.958
   27    HG2  ARG   5          2HG       ARG   5  -9.379  -1.118   4.065
   28    HG3  ARG   5          1HG       ARG   5  -8.865   0.395   3.316
   29    HD2  ARG   5          2HD       ARG   5  -8.946  -1.641   1.285
   30    HD3  ARG   5          1HD       ARG   5 -10.493  -1.630   2.156
   31    HE   ARG   5           HE       ARG   5 -10.189   1.002   1.847
   32   HH11  ARG   5          1HH1      ARG   5 -11.534   1.605  -0.034
   33   HH12  ARG   5          2HH1      ARG   5 -10.883   1.194  -1.587
   34   HH21  ARG   5          1HH2      ARG   5  -8.416  -0.872  -0.306
   35   HH22  ARG   5          2HH2      ARG   5  -9.121  -0.204  -1.738
   36    H    CYS   6           H        CYS   6  -4.474  -1.802   2.265
   37    HA   CYS   6           HA       CYS   6  -2.992   0.217   3.411
   38    HB2  CYS   6          2HB       CYS   6  -2.376  -1.849   1.304
   39    HB3  CYS   6          1HB       CYS   6  -1.105  -0.792   1.915
   40    H    ILE   7           H        ILE   7  -2.597  -0.284  -0.083
   41    HA   ILE   7           HA       ILE   7  -1.675   2.294  -0.700
   42    HB   ILE   7           HB       ILE   7  -3.195   0.192  -2.243
   43   HG12  ILE   7          2HG1      ILE   7  -0.664   0.211  -3.141
   44   HG13  ILE   7          1HG1      ILE   7  -0.424   0.730  -1.482
   45   HG21  ILE   7          1HG2      ILE   7  -3.038   1.402  -4.165
   46   HG22  ILE   7          2HG2      ILE   7  -1.456   2.046  -3.725
   47   HG23  ILE   7          3HG2      ILE   7  -2.922   2.790  -3.084
   48   HD11  ILE   7          1HD1      ILE   7  -2.311  -1.462  -1.610
   49   HD12  ILE   7          2HD1      ILE   7  -0.799  -1.356  -0.708
   50   HD13  ILE   7          3HD1      ILE   7  -0.789  -1.907  -2.384
   51    H    TYR   8           H        TYR   8  -5.014   1.049  -0.622
   52    HA   TYR   8           HA       TYR   8  -6.424   3.135  -1.813
   53    HB2  TYR   8          2HB       TYR   8  -7.421   1.094  -0.865
   54    HB3  TYR   8          1HB       TYR   8  -7.051   1.662   0.763
   55    HD1  TYR   8          1HD       TYR   8  -8.836   2.598   1.918
   56    HD2  TYR   8          2HD       TYR   8  -8.619   3.077  -2.346
   57    HE1  TYR   8          1HE       TYR   8 -10.953   3.889   1.955
   58    HE2  TYR   8          2HE       TYR   8 -10.737   4.369  -2.309
   59    HH   TYR   8           HH       TYR   8 -12.021   5.712   0.391
   60    H    ASN   9           H        ASN   9  -6.094   2.990   1.722
   61    HA   ASN   9           HA       ASN   9  -6.568   5.752   2.137
   62    HB2  ASN   9          2HB       ASN   9  -5.596   5.188   4.406
   63    HB3  ASN   9          1HB       ASN   9  -6.893   4.124   3.867
   64   HD21  ASN   9          1HD2      ASN   9  -6.403   1.987   4.315
   65   HD22  ASN   9          2HD2      ASN   9  -4.854   1.297   4.234
   66    H    CYS  10           H        CYS  10  -3.529   3.950   1.805
   67    HA   CYS  10           HA       CYS  10  -1.764   6.073   2.474
   68    HB2  CYS  10          2HB       CYS  10  -1.427   3.514   2.226
   69    HB3  CYS  10          1HB       CYS  10  -1.166   3.870   0.519
   70    H    MET  11           H        MET  11  -2.860   4.896  -0.677
   71    HA   MET  11           HA       MET  11  -1.539   7.147  -2.036
   72    HB2  MET  11          2HB       MET  11  -3.220   4.954  -3.210
   73    HB3  MET  11          1HB       MET  11  -1.892   5.830  -3.965
   74    HG2  MET  11          2HG       MET  11  -1.784   3.675  -1.872
   75    HG3  MET  11          1HG       MET  11  -0.890   3.787  -3.378
   76    HE1  MET  11          1HE       MET  11  -0.114   6.252  -3.747
   77    HE2  MET  11          2HE       MET  11   1.532   6.360  -3.134
   78    HE3  MET  11          3HE       MET  11   0.272   7.369  -2.432
   79    H    ASN  12           H        ASN  12  -4.826   5.735  -2.181
   80    HA   ASN  12           HA       ASN  12  -6.175   7.685  -3.593
   81    HB2  ASN  12          2HB       ASN  12  -6.955   5.506  -2.409
   82    HB3  ASN  12          1HB       ASN  12  -7.306   6.558  -1.038
   83   HD21  ASN  12          1HD2      ASN  12  -9.558   6.829  -1.091
   84   HD22  ASN  12          2HD2      ASN  12 -10.434   7.311  -2.462
   85    H    SER  13           H        SER  13  -5.988   7.749  -0.019
   86    HA   SER  13           HA       SER  13  -5.241  10.484   0.184
   87    HB2  SER  13          2HB       SER  13  -7.506  11.399   0.763
   88    HB3  SER  13          1HB       SER  13  -7.384  10.874  -0.912
   89    HG   SER  13           HG       SER  13  -8.140   8.751   0.202
   90    H    GLY  14           H        GLY  14  -4.031   9.336   1.886
   91    HA2  GLY  14          2HA       GLY  14  -4.839   9.732   4.479
   92    HA3  GLY  14          1HA       GLY  14  -5.447   8.125   4.087
   93    H    GLY  15           H        GLY  15  -2.455   9.528   2.846
   94    HA2  GLY  15          2HA       GLY  15  -0.930   7.604   4.544
   95    HA3  GLY  15          1HA       GLY  15  -0.644   7.667   2.802
   96    H    GLY  16           H        GLY  16  -0.421  10.211   2.128
   97    HA2  GLY  16          2HA       GLY  16   0.793  12.206   2.354
   98    HA3  GLY  16          1HA       GLY  16   1.015  11.810   4.057
   99    H    LEU  17           H        LEU  17   1.866   9.390   1.733
  100    HA   LEU  17           HA       LEU  17   4.755  10.094   2.041
  101    HB2  LEU  17          2HB       LEU  17   5.055   7.571   2.215
  102    HB3  LEU  17          1HB       LEU  17   4.303   8.366   3.598
  103    HG   LEU  17           HG       LEU  17   2.351   7.598   1.569
  104   HD11  LEU  17          1HD1      LEU  17   3.051   5.517   1.130
  105   HD12  LEU  17          2HD1      LEU  17   2.991   5.152   2.855
  106   HD13  LEU  17          3HD1      LEU  17   4.478   5.769   2.135
  107   HD21  LEU  17          1HD2      LEU  17   2.449   6.452   4.326
  108   HD22  LEU  17          2HD2      LEU  17   1.083   7.127   3.442
  109   HD23  LEU  17          3HD2      LEU  17   2.269   8.202   4.183
  110    H    SER  18           H        SER  18   4.298   7.149   0.476
  111    HA   SER  18           HA       SER  18   4.097   8.422  -2.217
  112    HB2  SER  18          2HB       SER  18   6.348   7.048  -0.905
  113    HB3  SER  18          1HB       SER  18   6.003   6.479  -2.532
  114    HG   SER  18           HG       SER  18   6.753   9.032  -1.629
  115    H    PHE  19           H        PHE  19   4.437   6.249  -3.769
  116    HA   PHE  19           HA       PHE  19   2.072   4.565  -3.122
  117    HB2  PHE  19          2HB       PHE  19   2.051   5.585  -5.274
  118    HB3  PHE  19          1HB       PHE  19   3.752   5.216  -5.549
  119    HD1  PHE  19          1HD       PHE  19   4.296   3.387  -6.856
  120    HD2  PHE  19          2HD       PHE  19   0.507   3.459  -4.837
  121    HE1  PHE  19          1HE       PHE  19   3.680   1.251  -7.947
  122    HE2  PHE  19          2HE       PHE  19  -0.112   1.319  -5.926
  123    HZ   PHE  19           HZ       PHE  19   1.473   0.216  -7.483
  124    H    ILE  20           H        ILE  20   5.254   4.062  -4.584
  125    HA   ILE  20           HA       ILE  20   5.441   1.269  -4.235
  126    HB   ILE  20           HB       ILE  20   7.957   1.829  -4.244
  127   HG12  ILE  20          2HG1      ILE  20   6.974   4.630  -4.787
  128   HG13  ILE  20          1HG1      ILE  20   7.443   4.126  -3.162
  129   HG21  ILE  20          1HG2      ILE  20   7.488   3.160  -6.566
  130   HG22  ILE  20          2HG2      ILE  20   5.890   2.477  -6.268
  131   HG23  ILE  20          3HG2      ILE  20   7.293   1.416  -6.392
  132   HD11  ILE  20          1HD1      ILE  20   9.211   3.831  -5.603
  133   HD12  ILE  20          2HD1      ILE  20   9.667   3.550  -3.923
  134   HD13  ILE  20          3HD1      ILE  20   9.307   5.185  -4.478
  135    H    GLN  21           H        GLN  21   5.610   3.805  -1.880
  136    HA   GLN  21           HA       GLN  21   7.042   2.239   0.148
  137    HB2  GLN  21          2HB       GLN  21   5.384   4.774   0.363
  138    HB3  GLN  21          1HB       GLN  21   6.598   4.213   1.514
  139    HG2  GLN  21          2HG       GLN  21   8.202   4.246  -0.554
  140    HG3  GLN  21          1HG       GLN  21   6.991   5.322  -1.254
  141   HE21  GLN  21          1HE2      GLN  21   9.859   5.706   0.023
  142   HE22  GLN  21          2HE2      GLN  21   9.630   7.048   1.036
  143    H    CYS  22           H        CYS  22   3.951   2.106  -1.128
  144    HA   CYS  22           HA       CYS  22   2.888   0.847   1.367
  145    HB2  CYS  22          2HB       CYS  22   1.895   3.107  -0.276
  146    HB3  CYS  22          1HB       CYS  22   0.675   1.916   0.180
  147    H    LYS  23           H        LYS  23   2.629   1.171  -2.185
  148    HA   LYS  23           HA       LYS  23   0.819  -0.950  -2.689
  149    HB2  LYS  23          2HB       LYS  23   1.635  -0.770  -4.927
  150    HB3  LYS  23          1HB       LYS  23   1.820   0.838  -4.227
  151    HG2  LYS  23          2HG       LYS  23   3.933   0.612  -5.085
  152    HG3  LYS  23          1HG       LYS  23   4.204  -0.183  -3.533
  153    HD2  LYS  23          2HD       LYS  23   5.084  -1.587  -5.321
  154    HD3  LYS  23          1HD       LYS  23   3.675  -2.373  -4.610
  155    HE2  LYS  23          2HE       LYS  23   2.320  -1.928  -6.470
  156    HE3  LYS  23          1HE       LYS  23   3.330  -0.568  -6.998
  157    HZ1  LYS  23          1HZ       LYS  23   5.001  -1.973  -7.731
  158    HZ2  LYS  23          2HZ       LYS  23   3.599  -2.812  -8.198
  159    HZ3  LYS  23          3HZ       LYS  23   4.455  -3.288  -6.810
  160    H    THR  24           H        THR  24   4.131  -1.033  -1.636
  161    HA   THR  24           HA       THR  24   4.152  -4.008  -2.021
  162    HB   THR  24           HB       THR  24   6.782  -2.904  -1.751
  163    HG1  THR  24          1HG       THR  24   6.529  -1.682  -3.837
  164   HG21  THR  24          1HG2      THR  24   5.320  -4.732  -3.367
  165   HG22  THR  24          2HG2      THR  24   7.070  -4.538  -3.261
  166   HG23  THR  24          3HG2      THR  24   6.150  -3.616  -4.450
  167    H    MET  25           H        MET  25   5.308  -1.314  -0.001
  168    HA   MET  25           HA       MET  25   6.506  -2.671   2.105
  169    HB2  MET  25          2HB       MET  25   4.799  -0.210   1.875
  170    HB3  MET  25          1HB       MET  25   5.410  -0.708   3.453
  171    HG2  MET  25          2HG       MET  25   7.369  -0.653   1.210
  172    HG3  MET  25          1HG       MET  25   6.812   0.904   1.823
  173    HE1  MET  25          1HE       MET  25   7.996   1.281   5.280
  174    HE2  MET  25          2HE       MET  25   6.590   1.451   4.230
  175    HE3  MET  25          3HE       MET  25   8.153   2.074   3.705
  176    H    CYS  26           H        CYS  26   3.055  -1.771   1.951
  177    HA   CYS  26           HA       CYS  26   2.036  -2.940   4.230
  178    HB2  CYS  26          2HB       CYS  26   0.690  -1.745   2.602
  179    HB3  CYS  26          1HB       CYS  26   0.979  -2.992   1.387
  180    H    TYR  27           H        TYR  27   1.885  -5.013   5.034
  181    HA   TYR  27           HA       TYR  27   3.002  -7.229   3.423
  182    HB2  TYR  27          2HB       TYR  27   3.634  -6.737   5.802
  183    HB3  TYR  27          1HB       TYR  27   1.980  -7.132   6.280
  184    HD1  TYR  27          1HD       TYR  27   5.240  -8.437   5.684
  185    HD2  TYR  27          2HD       TYR  27   1.071  -9.458   5.489
  186    HE1  TYR  27          1HE       TYR  27   5.828 -10.844   5.727
  187    HE2  TYR  27          2HE       TYR  27   1.660 -11.866   5.532
  188    HH   TYR  27           HH       TYR  27   4.246 -13.106   6.572
  Start of MODEL    2
    1    H1   GLY   1          1HT       GLY   1  -7.086  -9.283   0.772
    2    H2   GLY   1          2HT       GLY   1  -6.970  -9.968  -0.778
    3    H3   GLY   1          3HT       GLY   1  -6.674  -8.310  -0.555
    4    HA2  GLY   1          2HA       GLY   1  -4.998 -10.607   0.248
    5    HA3  GLY   1          1HA       GLY   1  -4.554  -9.221  -0.748
    6    H    GLY   2           H        GLY   2  -3.275  -7.805   0.324
    7    HA2  GLY   2          2HA       GLY   2  -3.972  -7.057   3.100
    8    HA3  GLY   2          1HA       GLY   2  -2.362  -7.731   2.845
    9    H    LEU   3           H        LEU   3  -3.572  -5.971   0.174
   10    HA   LEU   3           HA       LEU   3  -1.941  -3.589   0.993
   11    HB2  LEU   3          2HB       LEU   3  -2.141  -5.221  -1.524
   12    HB3  LEU   3          1HB       LEU   3  -1.672  -3.525  -1.633
   13    HG   LEU   3           HG       LEU   3   0.346  -4.857  -1.439
   14   HD11  LEU   3          1HD1      LEU   3   0.010  -2.688  -0.060
   15   HD12  LEU   3          2HD1      LEU   3   1.361  -3.734   0.375
   16   HD13  LEU   3          3HD1      LEU   3  -0.118  -3.760   1.333
   17   HD21  LEU   3          1HD2      LEU   3  -0.325  -5.875   1.269
   18   HD22  LEU   3          2HD2      LEU   3   0.585  -6.647  -0.030
   19   HD23  LEU   3          3HD2      LEU   3  -1.177  -6.642  -0.072
   20    H    GLY   4           H        GLY   4  -4.877  -4.786  -0.507
   21    HA2  GLY   4          2HA       GLY   4  -5.905  -2.597  -1.834
   22    HA3  GLY   4          1HA       GLY   4  -6.916  -3.646  -0.837
   23    H    ARG   5           H        ARG   5  -6.899  -3.129   1.542
   24    HA   ARG   5           HA       ARG   5  -7.721  -0.504   2.101
   25    HB2  ARG   5          2HB       ARG   5  -6.378  -2.522   3.927
   26    HB3  ARG   5          1HB       ARG   5  -7.411  -1.193   4.452
   27    HG2  ARG   5          2HG       ARG   5  -8.198  -3.610   2.810
   28    HG3  ARG   5          1HG       ARG   5  -8.810  -3.136   4.395
   29    HD2  ARG   5          2HD       ARG   5 -10.531  -2.307   3.075
   30    HD3  ARG   5          1HD       ARG   5  -9.448  -0.902   3.023
   31    HE   ARG   5           HE       ARG   5  -9.211  -3.046   0.955
   32   HH11  ARG   5          1HH1      ARG   5 -10.479   0.020   1.723
   33   HH12  ARG   5          2HH1      ARG   5 -10.030   0.750   0.219
   34   HH21  ARG   5          1HH2      ARG   5  -8.287  -2.020  -0.918
   35   HH22  ARG   5          2HH2      ARG   5  -8.782  -0.398  -1.270
   36    H    CYS   6           H        CYS   6  -4.503  -1.945   2.611
   37    HA   CYS   6           HA       CYS   6  -3.113   0.143   3.798
   38    HB2  CYS   6          2HB       CYS   6  -2.355  -1.735   1.541
   39    HB3  CYS   6          1HB       CYS   6  -1.182  -0.756   2.419
   40    H    ILE   7           H        ILE   7  -2.588  -0.277   0.328
   41    HA   ILE   7           HA       ILE   7  -1.886   2.322  -0.324
   42    HB   ILE   7           HB       ILE   7  -3.421   0.187  -1.804
   43   HG12  ILE   7          2HG1      ILE   7  -0.913   0.361  -2.850
   44   HG13  ILE   7          1HG1      ILE   7  -0.636   0.762  -1.162
   45   HG21  ILE   7          1HG2      ILE   7  -3.160   2.856  -2.600
   46   HG22  ILE   7          2HG2      ILE   7  -3.568   1.491  -3.639
   47   HG23  ILE   7          3HG2      ILE   7  -1.889   2.000  -3.473
   48   HD11  ILE   7          1HD1      ILE   7  -1.234  -1.325  -0.422
   49   HD12  ILE   7          2HD1      ILE   7  -0.703  -1.779  -2.040
   50   HD13  ILE   7          3HD1      ILE   7  -2.419  -1.549  -1.708
   51    H    TYR   8           H        TYR   8  -5.195   0.963  -0.278
   52    HA   TYR   8           HA       TYR   8  -6.709   3.047  -1.280
   53    HB2  TYR   8          2HB       TYR   8  -7.824   1.110  -0.534
   54    HB3  TYR   8          1HB       TYR   8  -7.059   1.173   1.052
   55    HD1  TYR   8          1HD       TYR   8  -8.827   3.813  -0.938
   56    HD2  TYR   8          2HD       TYR   8  -8.763   1.440   2.642
   57    HE1  TYR   8          1HE       TYR   8 -10.765   5.088  -0.057
   58    HE2  TYR   8          2HE       TYR   8 -10.699   2.715   3.523
   59    HH   TYR   8           HH       TYR   8 -12.125   4.370   3.163
   60    H    ASN   9           H        ASN   9  -6.739   2.865   2.229
   61    HA   ASN   9           HA       ASN   9  -7.160   5.569   2.733
   62    HB2  ASN   9          2HB       ASN   9  -6.579   3.171   4.134
   63    HB3  ASN   9          1HB       ASN   9  -5.502   4.412   4.776
   64   HD21  ASN   9          1HD2      ASN   9  -8.112   3.127   5.866
   65   HD22  ASN   9          2HD2      ASN   9  -9.061   4.467   6.297
   66    H    CYS  10           H        CYS  10  -4.173   4.060   1.739
   67    HA   CYS  10           HA       CYS  10  -2.529   6.270   2.715
   68    HB2  CYS  10          2HB       CYS  10  -1.833   3.880   2.787
   69    HB3  CYS  10          1HB       CYS  10  -1.848   3.861   1.024
   70    H    MET  11           H        MET  11  -2.550   4.734  -0.461
   71    HA   MET  11           HA       MET  11  -1.557   6.947  -1.894
   72    HB2  MET  11          2HB       MET  11  -3.346   4.702  -2.819
   73    HB3  MET  11          1HB       MET  11  -2.197   5.600  -3.806
   74    HG2  MET  11          2HG       MET  11  -1.637   3.618  -1.606
   75    HG3  MET  11          1HG       MET  11  -1.028   3.629  -3.254
   76    HE1  MET  11          1HE       MET  11  -0.694   6.644  -3.513
   77    HE2  MET  11          2HE       MET  11   0.732   5.796  -4.101
   78    HE3  MET  11          3HE       MET  11   0.915   7.138  -2.976
   79    H    ASN  12           H        ASN  12  -4.902   6.128  -1.052
   80    HA   ASN  12           HA       ASN  12  -5.993   8.171  -2.873
   81    HB2  ASN  12          2HB       ASN  12  -7.225   6.390  -0.750
   82    HB3  ASN  12          1HB       ASN  12  -8.133   7.364  -1.903
   83   HD21  ASN  12          1HD2      ASN  12  -5.745   4.701  -1.740
   84   HD22  ASN  12          2HD2      ASN  12  -6.179   4.012  -3.225
   85    H    SER  13           H        SER  13  -5.424   7.759   0.595
   86    HA   SER  13           HA       SER  13  -5.229  10.551   1.101
   87    HB2  SER  13          2HB       SER  13  -7.483  10.912   0.745
   88    HB3  SER  13          1HB       SER  13  -7.918   9.266   1.198
   89    HG   SER  13           HG       SER  13  -7.664   9.813   3.338
   90    H    GLY  14           H        GLY  14  -3.521   9.836   2.474
   91    HA2  GLY  14          2HA       GLY  14  -3.962   9.545   5.178
   92    HA3  GLY  14          1HA       GLY  14  -3.938   7.896   4.557
   93    H    GLY  15           H        GLY  15  -2.022   8.709   2.397
   94    HA2  GLY  15          2HA       GLY  15   0.409   9.339   3.980
   95    HA3  GLY  15          1HA       GLY  15   0.371   7.803   3.105
   96    H    GLY  16           H        GLY  16   0.278  11.318   2.683
   97    HA2  GLY  16          2HA       GLY  16   0.454  11.126  -0.204
   98    HA3  GLY  16          1HA       GLY  16   0.576  12.610   0.737
   99    H    LEU  17           H        LEU  17   2.485   9.568   0.618
  100    HA   LEU  17           HA       LEU  17   4.935  11.287   0.408
  101    HB2  LEU  17          2HB       LEU  17   5.422   8.554   1.260
  102    HB3  LEU  17          1HB       LEU  17   5.821  10.053   2.088
  103    HG   LEU  17           HG       LEU  17   3.189  10.008   2.597
  104   HD11  LEU  17          1HD1      LEU  17   2.252   8.067   1.942
  105   HD12  LEU  17          2HD1      LEU  17   3.191   7.289   3.213
  106   HD13  LEU  17          3HD1      LEU  17   3.821   7.364   1.572
  107   HD21  LEU  17          1HD2      LEU  17   5.250   8.350   4.078
  108   HD22  LEU  17          2HD2      LEU  17   3.750   8.979   4.760
  109   HD23  LEU  17          3HD2      LEU  17   5.024  10.091   4.258
  110    H    SER  18           H        SER  18   4.279   7.851  -0.125
  111    HA   SER  18           HA       SER  18   5.142   8.127  -2.972
  112    HB2  SER  18          2HB       SER  18   6.406   6.721  -0.698
  113    HB3  SER  18          1HB       SER  18   6.347   5.832  -2.213
  114    HG   SER  18           HG       SER  18   8.051   7.686  -1.552
  115    H    PHE  19           H        PHE  19   5.063   5.591  -3.775
  116    HA   PHE  19           HA       PHE  19   2.316   4.600  -3.066
  117    HB2  PHE  19          2HB       PHE  19   2.325   5.602  -5.260
  118    HB3  PHE  19          1HB       PHE  19   3.836   4.800  -5.681
  119    HD1  PHE  19          1HD       PHE  19   0.464   3.822  -4.341
  120    HD2  PHE  19          2HD       PHE  19   3.649   2.965  -7.089
  121    HE1  PHE  19          1HE       PHE  19  -0.804   1.872  -5.201
  122    HE2  PHE  19          2HE       PHE  19   2.382   1.016  -7.951
  123    HZ   PHE  19           HZ       PHE  19   0.155   0.469  -7.007
  124    H    ILE  20           H        ILE  20   5.276   3.581  -4.715
  125    HA   ILE  20           HA       ILE  20   5.077   0.823  -4.507
  126    HB   ILE  20           HB       ILE  20   7.688   2.074  -3.706
  127   HG12  ILE  20          2HG1      ILE  20   7.827   2.377  -6.391
  128   HG13  ILE  20          1HG1      ILE  20   6.126   2.773  -6.138
  129   HG21  ILE  20          1HG2      ILE  20   7.001   0.080  -5.879
  130   HG22  ILE  20          2HG2      ILE  20   7.367  -0.378  -4.216
  131   HG23  ILE  20          3HG2      ILE  20   8.594   0.417  -5.201
  132   HD11  ILE  20          1HD1      ILE  20   8.568   4.199  -5.190
  133   HD12  ILE  20          2HD1      ILE  20   7.173   4.185  -4.110
  134   HD13  ILE  20          3HD1      ILE  20   7.023   4.857  -5.734
  135    H    GLN  21           H        GLN  21   5.917   3.113  -1.932
  136    HA   GLN  21           HA       GLN  21   6.637   1.133   0.007
  137    HB2  GLN  21          2HB       GLN  21   5.659   3.040   1.597
  138    HB3  GLN  21          1HB       GLN  21   7.189   3.243   0.749
  139    HG2  GLN  21          2HG       GLN  21   6.350   4.784  -0.673
  140    HG3  GLN  21          1HG       GLN  21   4.768   4.016  -0.756
  141   HE21  GLN  21          1HE2      GLN  21   6.778   6.222   1.148
  142   HE22  GLN  21          2HE2      GLN  21   5.515   6.854   2.085
  143    H    CYS  22           H        CYS  22   3.608   3.005   0.247
  144    HA   CYS  22           HA       CYS  22   2.171   1.085   1.727
  145    HB2  CYS  22          2HB       CYS  22   1.514   3.345  -0.142
  146    HB3  CYS  22          1HB       CYS  22   0.198   2.313   0.425
  147    H    LYS  23           H        LYS  23   2.779   1.290  -1.759
  148    HA   LYS  23           HA       LYS  23   0.783  -0.488  -2.708
  149    HB2  LYS  23          2HB       LYS  23   2.233   0.876  -4.125
  150    HB3  LYS  23          1HB       LYS  23   3.654  -0.012  -3.574
  151    HG2  LYS  23          2HG       LYS  23   2.722  -0.739  -5.831
  152    HG3  LYS  23          1HG       LYS  23   2.920  -2.027  -4.643
  153    HD2  LYS  23          2HD       LYS  23   0.542  -1.879  -4.052
  154    HD3  LYS  23          1HD       LYS  23   0.328  -0.550  -5.193
  155    HE2  LYS  23          2HE       LYS  23   0.747  -1.970  -7.078
  156    HE3  LYS  23          1HE       LYS  23   1.348  -3.278  -6.041
  157    HZ1  LYS  23          1HZ       LYS  23  -1.395  -2.375  -6.485
  158    HZ2  LYS  23          2HZ       LYS  23  -0.993  -2.878  -4.913
  159    HZ3  LYS  23          3HZ       LYS  23  -0.803  -3.944  -6.223
  160    H    THR  24           H        THR  24   3.452  -1.149  -0.626
  161    HA   THR  24           HA       THR  24   2.832  -4.042  -0.733
  162    HB   THR  24           HB       THR  24   5.531  -4.186  -0.888
  163    HG1  THR  24          1HG       THR  24   6.024  -2.640  -2.612
  164   HG21  THR  24          1HG2      THR  24   4.541  -3.922  -3.571
  165   HG22  THR  24          2HG2      THR  24   3.305  -4.687  -2.571
  166   HG23  THR  24          3HG2      THR  24   4.917  -5.394  -2.677
  167    H    MET  25           H        MET  25   4.604  -1.369   0.773
  168    HA   MET  25           HA       MET  25   5.820  -2.651   2.935
  169    HB2  MET  25          2HB       MET  25   4.595   0.033   2.427
  170    HB3  MET  25          1HB       MET  25   5.168  -0.343   4.052
  171    HG2  MET  25          2HG       MET  25   7.151  -1.218   2.187
  172    HG3  MET  25          1HG       MET  25   6.714   0.443   1.787
  173    HE1  MET  25          1HE       MET  25   5.817   1.727   4.444
  174    HE2  MET  25          2HE       MET  25   6.878   2.413   3.217
  175    HE3  MET  25          3HE       MET  25   7.353   2.468   4.912
  176    H    CYS  26           H        CYS  26   2.821  -0.816   3.423
  177    HA   CYS  26           HA       CYS  26   1.965  -1.861   5.820
  178    HB2  CYS  26          2HB       CYS  26   0.785  -0.111   4.638
  179    HB3  CYS  26          1HB       CYS  26   0.393  -1.206   3.312
  180    H    TYR  27           H        TYR  27   1.813  -3.972   6.466
  181    HA   TYR  27           HA       TYR  27   1.077  -6.057   4.454
  182    HB2  TYR  27          2HB       TYR  27   3.202  -6.130   5.841
  183    HB3  TYR  27          1HB       TYR  27   2.181  -6.341   7.265
  184    HD1  TYR  27          1HD       TYR  27   3.868  -8.474   7.148
  185    HD2  TYR  27          2HD       TYR  27   0.450  -7.835   4.624
  186    HE1  TYR  27          1HE       TYR  27   3.743 -10.907   6.697
  187    HE2  TYR  27          2HE       TYR  27   0.328 -10.270   4.175
  188    HH   TYR  27           HH       TYR  27   2.842 -12.464   5.254
  Start of MODEL    3
    1    H1   GLY   1          1HT       GLY   1  -6.817  -8.879   4.528
    2    H2   GLY   1          2HT       GLY   1  -5.695  -9.480   5.653
    3    H3   GLY   1          3HT       GLY   1  -6.085 -10.388   4.271
    4    HA2  GLY   1          2HA       GLY   1  -3.920  -9.318   4.042
    5    HA3  GLY   1          1HA       GLY   1  -5.077  -8.734   2.845
    6    H    GLY   2           H        GLY   2  -4.054  -6.683   2.636
    7    HA2  GLY   2          2HA       GLY   2  -4.964  -4.656   4.448
    8    HA3  GLY   2          1HA       GLY   2  -3.255  -4.981   4.743
    9    H    LEU   3           H        LEU   3  -2.566  -5.598   2.009
   10    HA   LEU   3           HA       LEU   3  -1.724  -3.167   0.973
   11    HB2  LEU   3          2HB       LEU   3  -2.434  -5.847  -0.141
   12    HB3  LEU   3          1HB       LEU   3  -2.105  -4.550  -1.290
   13    HG   LEU   3           HG       LEU   3  -0.194  -4.850   0.972
   14   HD11  LEU   3          1HD1      LEU   3  -0.488  -6.830  -1.292
   15   HD12  LEU   3          2HD1      LEU   3  -0.374  -7.165   0.435
   16   HD13  LEU   3          3HD1      LEU   3   1.041  -6.588  -0.447
   17   HD21  LEU   3          1HD2      LEU   3  -0.187  -3.188  -1.047
   18   HD22  LEU   3          2HD2      LEU   3   0.410  -4.571  -1.965
   19   HD23  LEU   3          3HD2      LEU   3   1.328  -3.966  -0.584
   20    H    GLY   4           H        GLY   4  -4.647  -4.883  -0.148
   21    HA2  GLY   4          2HA       GLY   4  -5.736  -3.072  -1.886
   22    HA3  GLY   4          1HA       GLY   4  -6.747  -3.999  -0.776
   23    H    ARG   5           H        ARG   5  -5.754  -2.785   1.645
   24    HA   ARG   5           HA       ARG   5  -7.296  -0.268   1.520
   25    HB2  ARG   5          2HB       ARG   5  -6.450  -2.271   3.497
   26    HB3  ARG   5          1HB       ARG   5  -6.393  -0.615   4.104
   27    HG2  ARG   5          2HG       ARG   5  -8.620  -1.730   4.448
   28    HG3  ARG   5          1HG       ARG   5  -8.713  -0.249   3.491
   29    HD2  ARG   5          2HD       ARG   5  -8.232  -2.275   1.605
   30    HD3  ARG   5          1HD       ARG   5  -9.431  -2.959   2.716
   31    HE   ARG   5           HE       ARG   5 -10.859  -1.004   2.288
   32   HH11  ARG   5          1HH1      ARG   5  -8.723  -2.014  -0.141
   33   HH12  ARG   5          2HH1      ARG   5  -8.988  -0.645  -1.166
   34   HH21  ARG   5          1HH2      ARG   5 -10.912   1.067   1.148
   35   HH22  ARG   5          2HH2      ARG   5 -10.229   1.087  -0.444
   36    H    CYS   6           H        CYS   6  -4.005  -1.285   2.485
   37    HA   CYS   6           HA       CYS   6  -2.851   1.076   3.320
   38    HB2  CYS   6          2HB       CYS   6  -2.034  -1.375   2.069
   39    HB3  CYS   6          1HB       CYS   6  -1.113  -0.051   1.354
   40    H    ILE   7           H        ILE   7  -2.714   0.138  -0.109
   41    HA   ILE   7           HA       ILE   7  -2.058   2.672  -1.161
   42    HB   ILE   7           HB       ILE   7  -3.648   0.351  -2.287
   43   HG12  ILE   7          2HG1      ILE   7  -1.190   0.230  -3.386
   44   HG13  ILE   7          1HG1      ILE   7  -0.812   0.902  -1.807
   45   HG21  ILE   7          1HG2      ILE   7  -3.748   1.412  -4.270
   46   HG22  ILE   7          2HG2      ILE   7  -2.038   1.835  -4.179
   47   HG23  ILE   7          3HG2      ILE   7  -3.245   2.877  -3.426
   48   HD11  ILE   7          1HD1      ILE   7  -1.151  -1.783  -2.334
   49   HD12  ILE   7          2HD1      ILE   7  -2.742  -1.319  -1.733
   50   HD13  ILE   7          3HD1      ILE   7  -1.311  -1.049  -0.738
   51    H    TYR   8           H        TYR   8  -5.292   1.195  -0.652
   52    HA   TYR   8           HA       TYR   8  -6.938   3.132  -1.797
   53    HB2  TYR   8          2HB       TYR   8  -7.899   1.196  -0.795
   54    HB3  TYR   8          1HB       TYR   8  -7.140   1.530   0.756
   55    HD1  TYR   8          1HD       TYR   8  -8.513   2.404   2.414
   56    HD2  TYR   8          2HD       TYR   8  -9.359   3.307  -1.699
   57    HE1  TYR   8          1HE       TYR   8 -10.499   3.714   3.111
   58    HE2  TYR   8          2HE       TYR   8 -11.346   4.619  -1.002
   59    HH   TYR   8           HH       TYR   8 -11.892   5.562   2.203
   60    H    ASN   9           H        ASN   9  -6.263   3.137   1.685
   61    HA   ASN   9           HA       ASN   9  -6.871   5.903   2.008
   62    HB2  ASN   9          2HB       ASN   9  -5.762   5.467   4.254
   63    HB3  ASN   9          1HB       ASN   9  -7.090   4.387   3.836
   64   HD21  ASN   9          1HD2      ASN   9  -3.493   4.584   3.662
   65   HD22  ASN   9          2HD2      ASN   9  -3.250   2.913   3.826
   66    H    CYS  10           H        CYS  10  -3.795   4.195   1.558
   67    HA   CYS  10           HA       CYS  10  -2.111   6.442   2.091
   68    HB2  CYS  10          2HB       CYS  10  -1.568   3.954   2.087
   69    HB3  CYS  10          1HB       CYS  10  -1.515   4.067   0.328
   70    H    MET  11           H        MET  11  -2.651   4.854  -1.046
   71    HA   MET  11           HA       MET  11  -1.602   6.981  -2.611
   72    HB2  MET  11          2HB       MET  11  -3.486   4.693  -3.123
   73    HB3  MET  11          1HB       MET  11  -2.921   5.751  -4.415
   74    HG2  MET  11          2HG       MET  11  -1.012   4.392  -2.504
   75    HG3  MET  11          1HG       MET  11  -1.531   3.639  -4.009
   76    HE1  MET  11          1HE       MET  11   0.763   5.451  -2.211
   77    HE2  MET  11          2HE       MET  11   0.258   7.087  -2.623
   78    HE3  MET  11          3HE       MET  11   1.756   6.444  -3.287
   79    H    ASN  12           H        ASN  12  -5.051   6.075  -2.266
   80    HA   ASN  12           HA       ASN  12  -6.257   8.199  -3.583
   81    HB2  ASN  12          2HB       ASN  12  -7.253   6.177  -2.355
   82    HB3  ASN  12          1HB       ASN  12  -7.182   7.168  -0.896
   83   HD21  ASN  12          1HD2      ASN  12  -9.284   7.902  -0.525
   84   HD22  ASN  12          2HD2      ASN  12 -10.292   8.590  -1.705
   85    H    SER  13           H        SER  13  -5.885   8.239  -0.037
   86    HA   SER  13           HA       SER  13  -4.533  10.683   0.251
   87    HB2  SER  13          2HB       SER  13  -7.317  10.859  -0.642
   88    HB3  SER  13          1HB       SER  13  -7.021  11.793   0.820
   89    HG   SER  13           HG       SER  13  -6.097  13.192  -0.433
   90    H    GLY  14           H        GLY  14  -3.833   9.476   2.126
   91    HA2  GLY  14          2HA       GLY  14  -5.125  10.039   4.548
   92    HA3  GLY  14          1HA       GLY  14  -5.575   8.398   4.079
   93    H    GLY  15           H        GLY  15  -2.729  10.473   4.502
   94    HA2  GLY  15          2HA       GLY  15  -0.620   9.980   5.365
   95    HA3  GLY  15          1HA       GLY  15  -1.336   8.515   6.038
   96    H    GLY  16           H        GLY  16   0.355   9.858   3.292
   97    HA2  GLY  16          2HA       GLY  16   1.514   7.362   2.585
   98    HA3  GLY  16          1HA       GLY  16   0.202   7.743   1.469
   99    H    LEU  17           H        LEU  17   3.398   8.664   2.545
  100    HA   LEU  17           HA       LEU  17   3.593  11.074   0.945
  101    HB2  LEU  17          2HB       LEU  17   5.973  10.878   1.566
  102    HB3  LEU  17          1HB       LEU  17   4.912  10.648   2.958
  103    HG   LEU  17           HG       LEU  17   5.243   8.117   1.709
  104   HD11  LEU  17          1HD1      LEU  17   7.704   7.878   1.927
  105   HD12  LEU  17          2HD1      LEU  17   7.826   9.611   2.229
  106   HD13  LEU  17          3HD1      LEU  17   7.260   9.026   0.665
  107   HD21  LEU  17          1HD2      LEU  17   6.384   9.284   4.263
  108   HD22  LEU  17          2HD2      LEU  17   6.217   7.565   3.905
  109   HD23  LEU  17          3HD2      LEU  17   4.780   8.572   4.089
  110    H    SER  18           H        SER  18   4.089   7.662   0.332
  111    HA   SER  18           HA       SER  18   4.825   8.333  -2.483
  112    HB2  SER  18          2HB       SER  18   6.425   7.073  -0.398
  113    HB3  SER  18          1HB       SER  18   6.295   6.064  -1.834
  114    HG   SER  18           HG       SER  18   6.927   7.940  -3.045
  115    H    PHE  19           H        PHE  19   5.115   5.854  -3.475
  116    HA   PHE  19           HA       PHE  19   2.430   4.588  -3.061
  117    HB2  PHE  19          2HB       PHE  19   2.626   5.392  -5.265
  118    HB3  PHE  19          1HB       PHE  19   4.340   5.008  -5.350
  119    HD1  PHE  19          1HD       PHE  19   0.924   3.687  -5.660
  120    HD2  PHE  19          2HD       PHE  19   5.103   2.715  -5.759
  121    HE1  PHE  19          1HE       PHE  19   0.391   1.519  -6.726
  122    HE2  PHE  19          2HE       PHE  19   4.572   0.543  -6.823
  123    HZ   PHE  19           HZ       PHE  19   2.216  -0.054  -7.315
  124    H    ILE  20           H        ILE  20   5.653   3.662  -4.205
  125    HA   ILE  20           HA       ILE  20   5.570   0.912  -3.760
  126    HB   ILE  20           HB       ILE  20   8.085   1.258  -3.307
  127   HG12  ILE  20          2HG1      ILE  20   7.469   4.129  -4.000
  128   HG13  ILE  20          1HG1      ILE  20   7.549   3.601  -2.318
  129   HG21  ILE  20          1HG2      ILE  20   7.663   2.856  -5.694
  130   HG22  ILE  20          2HG2      ILE  20   6.533   1.503  -5.629
  131   HG23  ILE  20          3HG2      ILE  20   8.270   1.207  -5.552
  132   HD11  ILE  20          1HD1      ILE  20   9.829   2.679  -2.763
  133   HD12  ILE  20          2HD1      ILE  20   9.740   4.425  -2.990
  134   HD13  ILE  20          3HD1      ILE  20   9.747   3.353  -4.390
  135    H    GLN  21           H        GLN  21   5.697   3.485  -1.393
  136    HA   GLN  21           HA       GLN  21   6.530   1.755   0.822
  137    HB2  GLN  21          2HB       GLN  21   5.229   4.493   0.874
  138    HB3  GLN  21          1HB       GLN  21   6.272   3.781   2.106
  139    HG2  GLN  21          2HG       GLN  21   7.611   3.740  -0.448
  140    HG3  GLN  21          1HG       GLN  21   7.064   5.375  -0.084
  141   HE21  GLN  21          1HE2      GLN  21   9.859   4.175   0.007
  142   HE22  GLN  21          2HE2      GLN  21  10.414   4.500   1.576
  143    H    CYS  22           H        CYS  22   3.711   1.928  -0.913
  144    HA   CYS  22           HA       CYS  22   2.106   0.987   1.412
  145    HB2  CYS  22          2HB       CYS  22   1.605   3.165  -0.599
  146    HB3  CYS  22          1HB       CYS  22   0.242   2.307   0.110
  147    H    LYS  23           H        LYS  23   2.437   1.162  -2.152
  148    HA   LYS  23           HA       LYS  23   0.412  -0.835  -2.670
  149    HB2  LYS  23          2HB       LYS  23   1.237   0.934  -4.235
  150    HB3  LYS  23          1HB       LYS  23   2.768   0.061  -4.348
  151    HG2  LYS  23          2HG       LYS  23   0.349  -1.585  -4.780
  152    HG3  LYS  23          1HG       LYS  23   0.664  -0.373  -6.023
  153    HD2  LYS  23          2HD       LYS  23   3.065  -1.224  -6.060
  154    HD3  LYS  23          1HD       LYS  23   2.498  -2.581  -5.086
  155    HE2  LYS  23          2HE       LYS  23   0.979  -3.301  -6.817
  156    HE3  LYS  23          1HE       LYS  23   1.254  -1.815  -7.749
  157    HZ1  LYS  23          1HZ       LYS  23   3.642  -3.271  -6.986
  158    HZ2  LYS  23          2HZ       LYS  23   3.255  -2.515  -8.457
  159    HZ3  LYS  23          3HZ       LYS  23   2.655  -4.067  -8.111
  160    H    THR  24           H        THR  24   3.650  -1.001  -1.534
  161    HA   THR  24           HA       THR  24   3.678  -3.950  -2.068
  162    HB   THR  24           HB       THR  24   6.042  -2.052  -2.127
  163    HG1  THR  24          1HG       THR  24   5.722  -2.867  -4.487
  164   HG21  THR  24          1HG2      THR  24   5.741  -4.931  -2.129
  165   HG22  THR  24          2HG2      THR  24   7.217  -3.968  -2.056
  166   HG23  THR  24          3HG2      THR  24   6.513  -4.388  -3.618
  167    H    MET  25           H        MET  25   4.518  -1.282   0.090
  168    HA   MET  25           HA       MET  25   6.025  -2.670   2.026
  169    HB2  MET  25          2HB       MET  25   4.559  -0.192   1.711
  170    HB3  MET  25          1HB       MET  25   4.415  -0.800   3.360
  171    HG2  MET  25          2HG       MET  25   7.127  -1.127   2.436
  172    HG3  MET  25          1HG       MET  25   6.623   0.548   2.221
  173    HE1  MET  25          1HE       MET  25   6.855   2.118   3.626
  174    HE2  MET  25          2HE       MET  25   6.802   2.144   5.387
  175    HE3  MET  25          3HE       MET  25   5.313   1.928   4.471
  176    H    CYS  26           H        CYS  26   2.543  -1.905   2.199
  177    HA   CYS  26           HA       CYS  26   1.834  -3.407   4.439
  178    HB2  CYS  26          2HB       CYS  26   0.588  -2.241   2.114
  179    HB3  CYS  26          1HB       CYS  26  -0.194  -3.775   2.491
  180    H    TYR  27           H        TYR  27   2.457  -5.506   4.834
  181    HA   TYR  27           HA       TYR  27   3.258  -7.458   2.984
  182    HB2  TYR  27          2HB       TYR  27   3.559  -7.574   5.422
  183    HB3  TYR  27          1HB       TYR  27   1.814  -7.754   5.639
  184    HD1  TYR  27          1HD       TYR  27   1.880  -9.940   6.687
  185    HD2  TYR  27          2HD       TYR  27   3.703  -9.282   2.854
  186    HE1  TYR  27          1HE       TYR  27   2.091 -12.390   6.368
  187    HE2  TYR  27          2HE       TYR  27   3.915 -11.733   2.535
  188    HH   TYR  27           HH       TYR  27   2.770 -13.802   3.391
  Start of MODEL    4
    1    H1   GLY   1          1HT       GLY   1  -4.479 -10.894   4.209
    2    H2   GLY   1          2HT       GLY   1  -5.422  -9.880   3.225
    3    H3   GLY   1          3HT       GLY   1  -5.221  -9.521   4.873
    4    HA2  GLY   1          2HA       GLY   1  -2.693  -9.514   4.215
    5    HA3  GLY   1          1HA       GLY   1  -3.379  -9.118   2.638
    6    H    GLY   2           H        GLY   2  -4.463  -7.124   2.373
    7    HA2  GLY   2          2HA       GLY   2  -5.532  -5.253   3.897
    8    HA3  GLY   2          1HA       GLY   2  -3.883  -5.146   4.515
    9    H    LEU   3           H        LEU   3  -2.980  -5.900   1.661
   10    HA   LEU   3           HA       LEU   3  -2.120  -3.460   0.696
   11    HB2  LEU   3          2HB       LEU   3  -3.072  -5.952  -0.731
   12    HB3  LEU   3          1HB       LEU   3  -2.240  -4.642  -1.569
   13    HG   LEU   3           HG       LEU   3  -1.002  -5.732   0.927
   14   HD11  LEU   3          1HD1      LEU   3   0.025  -7.566  -0.235
   15   HD12  LEU   3          2HD1      LEU   3  -0.640  -7.039  -1.781
   16   HD13  LEU   3          3HD1      LEU   3  -1.707  -7.689  -0.537
   17   HD21  LEU   3          1HD2      LEU   3   1.045  -5.109  -0.235
   18   HD22  LEU   3          2HD2      LEU   3  -0.092  -3.765  -0.344
   19   HD23  LEU   3          3HD2      LEU   3   0.154  -4.828  -1.731
   20    H    GLY   4           H        GLY   4  -5.203  -5.027  -0.172
   21    HA2  GLY   4          2HA       GLY   4  -6.271  -3.234  -1.963
   22    HA3  GLY   4          1HA       GLY   4  -7.263  -4.028  -0.739
   23    H    ARG   5           H        ARG   5  -7.047  -2.952   1.508
   24    HA   ARG   5           HA       ARG   5  -7.879  -0.197   1.280
   25    HB2  ARG   5          2HB       ARG   5  -7.743  -2.330   3.217
   26    HB3  ARG   5          1HB       ARG   5  -7.167  -0.833   3.949
   27    HG2  ARG   5          2HG       ARG   5  -9.689  -1.255   4.088
   28    HG3  ARG   5          1HG       ARG   5  -9.197   0.313   3.450
   29    HD2  ARG   5          2HD       ARG   5  -9.375  -1.691   1.332
   30    HD3  ARG   5          1HD       ARG   5 -10.919  -1.480   2.181
   31    HE   ARG   5           HE       ARG   5 -10.293   1.086   1.885
   32   HH11  ARG   5          1HH1      ARG   5  -8.672  -0.975  -0.218
   33   HH12  ARG   5          2HH1      ARG   5  -9.235  -0.218  -1.669
   34   HH21  ARG   5          1HH2      ARG   5 -11.481   1.856  -0.041
   35   HH22  ARG   5          2HH2      ARG   5 -10.821   1.379  -1.570
   36    H    CYS   6           H        CYS   6  -4.809  -1.754   2.064
   37    HA   CYS   6           HA       CYS   6  -3.376   0.317   3.282
   38    HB2  CYS   6          2HB       CYS   6  -2.685  -1.777   1.218
   39    HB3  CYS   6          1HB       CYS   6  -1.449  -0.711   1.885
   40    H    ILE   7           H        ILE   7  -2.584  -0.262  -0.096
   41    HA   ILE   7           HA       ILE   7  -1.792   2.256  -0.836
   42    HB   ILE   7           HB       ILE   7  -3.342   0.116  -2.286
   43   HG12  ILE   7          2HG1      ILE   7  -0.825   0.169  -3.274
   44   HG13  ILE   7          1HG1      ILE   7  -0.558   0.703  -1.623
   45   HG21  ILE   7          1HG2      ILE   7  -3.073   2.728  -3.199
   46   HG22  ILE   7          2HG2      ILE   7  -3.370   1.314  -4.207
   47   HG23  ILE   7          3HG2      ILE   7  -1.721   1.884  -3.954
   48   HD11  ILE   7          1HD1      ILE   7  -2.393  -1.587  -1.893
   49   HD12  ILE   7          2HD1      ILE   7  -1.076  -1.331  -0.748
   50   HD13  ILE   7          3HD1      ILE   7  -0.729  -1.920  -2.374
   51    H    TYR   8           H        TYR   8  -5.160   1.047  -0.899
   52    HA   TYR   8           HA       TYR   8  -6.533   3.170  -2.018
   53    HB2  TYR   8          2HB       TYR   8  -7.641   1.188  -1.195
   54    HB3  TYR   8          1HB       TYR   8  -7.136   1.535   0.458
   55    HD1  TYR   8          1HD       TYR   8  -8.892   3.287  -2.363
   56    HD2  TYR   8          2HD       TYR   8  -8.723   2.503   1.856
   57    HE1  TYR   8          1HE       TYR   8 -10.932   4.656  -2.027
   58    HE2  TYR   8          2HE       TYR   8 -10.763   3.872   2.192
   59    HH   TYR   8           HH       TYR   8 -12.753   4.868  -0.381
   60    H    ASN   9           H        ASN   9  -6.334   2.975   1.520
   61    HA   ASN   9           HA       ASN   9  -6.736   5.761   1.925
   62    HB2  ASN   9          2HB       ASN   9  -6.445   3.348   3.407
   63    HB3  ASN   9          1HB       ASN   9  -5.351   4.539   4.111
   64   HD21  ASN   9          1HD2      ASN   9  -8.610   3.516   4.040
   65   HD22  ASN   9          2HD2      ASN   9  -9.303   4.883   4.771
   66    H    CYS  10           H        CYS  10  -3.784   3.822   1.620
   67    HA   CYS  10           HA       CYS  10  -1.952   5.793   2.545
   68    HB2  CYS  10          2HB       CYS  10  -1.888   3.178   1.963
   69    HB3  CYS  10          1HB       CYS  10  -1.198   3.806   0.473
   70    H    MET  11           H        MET  11  -2.624   4.744  -0.775
   71    HA   MET  11           HA       MET  11  -1.197   6.925  -1.976
   72    HB2  MET  11          2HB       MET  11  -3.279   5.094  -3.153
   73    HB3  MET  11          1HB       MET  11  -1.939   5.873  -3.994
   74    HG2  MET  11          2HG       MET  11  -1.826   3.631  -1.978
   75    HG3  MET  11          1HG       MET  11  -1.194   3.649  -3.616
   76    HE1  MET  11          1HE       MET  11   1.607   6.309  -3.399
   77    HE2  MET  11          2HE       MET  11  -0.078   6.817  -3.400
   78    HE3  MET  11          3HE       MET  11   0.425   5.465  -4.407
   79    H    ASN  12           H        ASN  12  -4.649   6.163  -2.464
   80    HA   ASN  12           HA       ASN  12  -5.546   8.545  -3.504
   81    HB2  ASN  12          2HB       ASN  12  -6.888   6.867  -1.365
   82    HB3  ASN  12          1HB       ASN  12  -7.713   7.963  -2.469
   83   HD21  ASN  12          1HD2      ASN  12  -5.963   4.894  -2.280
   84   HD22  ASN  12          2HD2      ASN  12  -6.426   4.332  -3.812
   85    H    SER  13           H        SER  13  -5.242   7.878  -0.005
   86    HA   SER  13           HA       SER  13  -4.300  10.406   0.756
   87    HB2  SER  13          2HB       SER  13  -7.064  10.360  -0.100
   88    HB3  SER  13          1HB       SER  13  -6.961  10.859   1.585
   89    HG   SER  13           HG       SER  13  -6.622  12.425  -0.348
   90    H    GLY  14           H        GLY  14  -3.343   9.454   2.536
   91    HA2  GLY  14          2HA       GLY  14  -5.012   8.813   4.802
   92    HA3  GLY  14          1HA       GLY  14  -4.157   7.410   4.165
   93    H    GLY  15           H        GLY  15  -1.764   8.642   3.388
   94    HA2  GLY  15          2HA       GLY  15  -0.724   9.843   5.915
   95    HA3  GLY  15          1HA       GLY  15   0.102   8.454   5.200
   96    H    GLY  16           H        GLY  16  -1.135  10.229   2.679
   97    HA2  GLY  16          2HA       GLY  16   0.028  11.391   0.988
   98    HA3  GLY  16          1HA       GLY  16   0.345  12.514   2.314
   99    H    LEU  17           H        LEU  17   1.618   9.607   0.702
  100    HA   LEU  17           HA       LEU  17   4.356  10.524   1.413
  101    HB2  LEU  17          2HB       LEU  17   4.799   8.053   1.941
  102    HB3  LEU  17          1HB       LEU  17   3.871   8.976   3.123
  103    HG   LEU  17           HG       LEU  17   2.158   7.837   1.063
  104   HD11  LEU  17          1HD1      LEU  17   3.273   5.880   0.849
  105   HD12  LEU  17          2HD1      LEU  17   2.642   5.531   2.459
  106   HD13  LEU  17          3HD1      LEU  17   4.268   6.188   2.271
  107   HD21  LEU  17          1HD2      LEU  17   1.443   6.735   3.470
  108   HD22  LEU  17          2HD2      LEU  17   0.923   8.328   2.921
  109   HD23  LEU  17          3HD2      LEU  17   2.311   8.177   3.998
  110    H    SER  18           H        SER  18   4.339   7.376   0.227
  111    HA   SER  18           HA       SER  18   4.595   8.333  -2.601
  112    HB2  SER  18          2HB       SER  18   6.454   7.013  -0.768
  113    HB3  SER  18          1HB       SER  18   6.285   6.148  -2.292
  114    HG   SER  18           HG       SER  18   7.257   7.734  -3.281
  115    H    PHE  19           H        PHE  19   5.010   5.893  -3.790
  116    HA   PHE  19           HA       PHE  19   2.390   4.538  -3.360
  117    HB2  PHE  19          2HB       PHE  19   3.034   5.567  -5.564
  118    HB3  PHE  19          1HB       PHE  19   4.349   4.400  -5.663
  119    HD1  PHE  19          1HD       PHE  19   1.461   3.089  -3.973
  120    HD2  PHE  19          2HD       PHE  19   3.142   3.789  -7.866
  121    HE1  PHE  19          1HE       PHE  19  -0.086   1.415  -4.942
  122    HE2  PHE  19          2HE       PHE  19   1.592   2.113  -8.833
  123    HZ   PHE  19           HZ       PHE  19  -0.021   0.926  -7.372
  124    H    ILE  20           H        ILE  20   5.744   3.702  -4.177
  125    HA   ILE  20           HA       ILE  20   5.570   0.901  -3.743
  126    HB   ILE  20           HB       ILE  20   8.004   2.436  -2.868
  127   HG12  ILE  20          2HG1      ILE  20   8.350   2.263  -5.586
  128   HG13  ILE  20          1HG1      ILE  20   6.644   2.707  -5.474
  129   HG21  ILE  20          1HG2      ILE  20   8.277   0.369  -4.905
  130   HG22  ILE  20          2HG2      ILE  20   7.420  -0.220  -3.480
  131   HG23  ILE  20          3HG2      ILE  20   9.030   0.481  -3.314
  132   HD11  ILE  20          1HD1      ILE  20   8.968   4.358  -5.018
  133   HD12  ILE  20          2HD1      ILE  20   7.993   4.281  -3.551
  134   HD13  ILE  20          3HD1      ILE  20   7.269   4.830  -5.062
  135    H    GLN  21           H        GLN  21   5.634   3.565  -1.511
  136    HA   GLN  21           HA       GLN  21   6.463   2.151   0.845
  137    HB2  GLN  21          2HB       GLN  21   4.714   4.599   0.443
  138    HB3  GLN  21          1HB       GLN  21   5.491   4.146   1.961
  139    HG2  GLN  21          2HG       GLN  21   7.667   4.090   0.455
  140    HG3  GLN  21          1HG       GLN  21   6.727   5.179  -0.564
  141   HE21  GLN  21          1HE2      GLN  21   8.689   5.020   2.248
  142   HE22  GLN  21          2HE2      GLN  21   8.367   6.578   2.839
  143    H    CYS  22           H        CYS  22   3.481   2.228  -0.935
  144    HA   CYS  22           HA       CYS  22   2.140   0.705   1.253
  145    HB2  CYS  22          2HB       CYS  22   0.775   2.437  -0.818
  146    HB3  CYS  22          1HB       CYS  22   0.152   1.893   0.732
  147    H    LYS  23           H        LYS  23   2.564   1.206  -2.230
  148    HA   LYS  23           HA       LYS  23   0.860  -0.626  -3.394
  149    HB2  LYS  23          2HB       LYS  23   2.501   0.829  -4.540
  150    HB3  LYS  23          1HB       LYS  23   3.807  -0.214  -3.978
  151    HG2  LYS  23          2HG       LYS  23   2.989  -0.656  -6.353
  152    HG3  LYS  23          1HG       LYS  23   3.020  -2.059  -5.284
  153    HD2  LYS  23          2HD       LYS  23   0.727  -2.193  -5.164
  154    HD3  LYS  23          1HD       LYS  23   0.512  -0.450  -5.332
  155    HE2  LYS  23          2HE       LYS  23  -0.274  -1.669  -7.360
  156    HE3  LYS  23          1HE       LYS  23   1.102  -0.614  -7.738
  157    HZ1  LYS  23          1HZ       LYS  23   1.360  -3.472  -6.974
  158    HZ2  LYS  23          2HZ       LYS  23   2.599  -2.443  -7.512
  159    HZ3  LYS  23          3HZ       LYS  23   1.366  -2.923  -8.578
  160    H    THR  24           H        THR  24   4.068  -1.436  -2.035
  161    HA   THR  24           HA       THR  24   3.126  -4.277  -1.825
  162    HB   THR  24           HB       THR  24   5.893  -3.223  -2.490
  163    HG1  THR  24          1HG       THR  24   4.881  -2.961  -4.330
  164   HG21  THR  24          1HG2      THR  24   6.570  -5.304  -1.975
  165   HG22  THR  24          2HG2      THR  24   5.540  -5.914  -3.271
  166   HG23  THR  24          3HG2      THR  24   4.912  -5.795  -1.626
  167    H    MET  25           H        MET  25   4.514  -1.559  -0.208
  168    HA   MET  25           HA       MET  25   5.997  -2.916   1.820
  169    HB2  MET  25          2HB       MET  25   5.039  -0.264   1.125
  170    HB3  MET  25          1HB       MET  25   5.011  -0.525   2.869
  171    HG2  MET  25          2HG       MET  25   7.441  -1.603   1.734
  172    HG3  MET  25          1HG       MET  25   7.254   0.089   1.276
  173    HE1  MET  25          1HE       MET  25   5.458   0.988   4.308
  174    HE2  MET  25          2HE       MET  25   6.110   1.627   2.802
  175    HE3  MET  25          3HE       MET  25   6.867   2.057   4.333
  176    H    CYS  26           H        CYS  26   2.596  -2.116   1.431
  177    HA   CYS  26           HA       CYS  26   1.607  -2.412   4.045
  178    HB2  CYS  26          2HB       CYS  26   0.171  -1.730   2.268
  179    HB3  CYS  26          1HB       CYS  26   0.567  -3.151   1.302
  180    H    TYR  27           H        TYR  27   0.658  -4.316   5.107
  181    HA   TYR  27           HA       TYR  27   2.265  -6.765   4.645
  182    HB2  TYR  27          2HB       TYR  27   1.958  -5.704   6.892
  183    HB3  TYR  27          1HB       TYR  27   0.227  -6.042   6.779
  184    HD1  TYR  27          1HD       TYR  27  -0.639  -8.184   7.310
  185    HD2  TYR  27          2HD       TYR  27   3.592  -7.655   6.785
  186    HE1  TYR  27          1HE       TYR  27  -0.248 -10.483   8.151
  187    HE2  TYR  27          2HE       TYR  27   3.982  -9.955   7.627
  188    HH   TYR  27           HH       TYR  27   1.296 -11.959   8.812
  Start of MODEL    5
    1    H1   GLY   1          1HT       GLY   1  -4.369 -10.757  -1.024
    2    H2   GLY   1          2HT       GLY   1  -4.165 -11.160   0.614
    3    H3   GLY   1          3HT       GLY   1  -3.280  -9.879  -0.065
    4    HA2  GLY   1          2HA       GLY   1  -5.560  -8.850  -0.570
    5    HA3  GLY   1          1HA       GLY   1  -6.135  -9.985   0.653
    6    H    GLY   2           H        GLY   2  -3.252  -7.879   0.309
    7    HA2  GLY   2          2HA       GLY   2  -3.824  -6.907   3.083
    8    HA3  GLY   2          1HA       GLY   2  -2.185  -7.154   2.478
    9    H    LEU   3           H        LEU   3  -3.542  -6.070  -0.188
   10    HA   LEU   3           HA       LEU   3  -2.870  -3.227   0.426
   11    HB2  LEU   3          2HB       LEU   3  -3.151  -4.739  -2.193
   12    HB3  LEU   3          1HB       LEU   3  -2.530  -3.099  -2.013
   13    HG   LEU   3           HG       LEU   3  -0.583  -4.433  -2.136
   14   HD11  LEU   3          1HD1      LEU   3  -1.044  -2.976   0.088
   15   HD12  LEU   3          2HD1      LEU   3   0.465  -3.846  -0.183
   16   HD13  LEU   3          3HD1      LEU   3  -0.792  -4.557   0.828
   17   HD21  LEU   3          1HD2      LEU   3  -0.422  -6.616  -1.450
   18   HD22  LEU   3          2HD2      LEU   3  -2.182  -6.525  -1.524
   19   HD23  LEU   3          3HD2      LEU   3  -1.354  -6.331   0.021
   20    H    GLY   4           H        GLY   4  -5.530  -5.285  -0.186
   21    HA2  GLY   4          2HA       GLY   4  -7.308  -3.782  -1.699
   22    HA3  GLY   4          1HA       GLY   4  -7.817  -4.799  -0.350
   23    H    ARG   5           H        ARG   5  -6.179  -3.142   1.559
   24    HA   ARG   5           HA       ARG   5  -7.977  -0.741   1.632
   25    HB2  ARG   5          2HB       ARG   5  -8.239  -2.783   3.266
   26    HB3  ARG   5          1HB       ARG   5  -6.838  -2.076   4.070
   27    HG2  ARG   5          2HG       ARG   5  -8.887  -1.209   5.085
   28    HG3  ARG   5          1HG       ARG   5  -8.054   0.088   4.228
   29    HD2  ARG   5          2HD       ARG   5  -9.704  -1.050   2.275
   30    HD3  ARG   5          1HD       ARG   5 -10.709  -1.011   3.738
   31    HE   ARG   5           HE       ARG   5  -9.943   1.427   3.955
   32   HH11  ARG   5          1HH1      ARG   5  -8.815   2.940   2.403
   33   HH12  ARG   5          2HH1      ARG   5  -9.491   2.961   0.809
   34   HH21  ARG   5          1HH2      ARG   5 -11.338   0.062   1.269
   35   HH22  ARG   5          2HH2      ARG   5 -10.920   1.331   0.166
   36    H    CYS   6           H        CYS   6  -4.792  -2.021   2.603
   37    HA   CYS   6           HA       CYS   6  -3.541   0.146   3.753
   38    HB2  CYS   6          2HB       CYS   6  -2.719  -1.922   1.738
   39    HB3  CYS   6          1HB       CYS   6  -1.564  -0.669   2.185
   40    H    ILE   7           H        ILE   7  -2.687  -0.267   0.371
   41    HA   ILE   7           HA       ILE   7  -2.180   2.374  -0.276
   42    HB   ILE   7           HB       ILE   7  -3.339   0.047  -1.806
   43   HG12  ILE   7          2HG1      ILE   7  -0.802   0.496  -2.670
   44   HG13  ILE   7          1HG1      ILE   7  -0.708   1.018  -0.993
   45   HG21  ILE   7          1HG2      ILE   7  -3.217   2.757  -2.670
   46   HG22  ILE   7          2HG2      ILE   7  -3.627   1.335  -3.627
   47   HG23  ILE   7          3HG2      ILE   7  -1.950   1.870  -3.514
   48   HD11  ILE   7          1HD1      ILE   7  -0.662  -1.637  -1.965
   49   HD12  ILE   7          2HD1      ILE   7  -2.214  -1.428  -1.152
   50   HD13  ILE   7          3HD1      ILE   7  -0.712  -1.113  -0.281
   51    H    TYR   8           H        TYR   8  -5.335   0.715  -0.823
   52    HA   TYR   8           HA       TYR   8  -6.874   2.820  -1.768
   53    HB2  TYR   8          2HB       TYR   8  -7.307   0.298  -0.792
   54    HB3  TYR   8          1HB       TYR   8  -8.082   1.277   0.455
   55    HD1  TYR   8          1HD       TYR   8  -9.064  -0.585  -2.090
   56    HD2  TYR   8          2HD       TYR   8  -9.071   3.587  -1.064
   57    HE1  TYR   8          1HE       TYR   8 -11.012  -0.220  -3.581
   58    HE2  TYR   8          2HE       TYR   8 -11.018   3.951  -2.557
   59    HH   TYR   8           HH       TYR   8 -11.938   1.946  -4.898
   60    H    ASN   9           H        ASN   9  -5.937   2.196   1.598
   61    HA   ASN   9           HA       ASN   9  -7.254   4.573   2.614
   62    HB2  ASN   9          2HB       ASN   9  -7.133   2.905   4.207
   63    HB3  ASN   9          1HB       ASN   9  -5.628   2.271   3.569
   64   HD21  ASN   9          1HD2      ASN   9  -3.665   3.052   4.445
   65   HD22  ASN   9          2HD2      ASN   9  -3.597   4.160   5.719
   66    H    CYS  10           H        CYS  10  -3.878   3.508   2.648
   67    HA   CYS  10           HA       CYS  10  -2.629   5.940   3.223
   68    HB2  CYS  10          2HB       CYS  10  -1.540   3.748   3.212
   69    HB3  CYS  10          1HB       CYS  10  -1.734   3.644   1.461
   70    H    MET  11           H        MET  11  -2.319   4.598  -0.042
   71    HA   MET  11           HA       MET  11  -1.642   6.830  -1.472
   72    HB2  MET  11          2HB       MET  11  -3.428   4.495  -2.067
   73    HB3  MET  11          1HB       MET  11  -3.123   5.712  -3.306
   74    HG2  MET  11          2HG       MET  11  -0.831   4.485  -1.782
   75    HG3  MET  11          1HG       MET  11  -1.529   3.659  -3.171
   76    HE1  MET  11          1HE       MET  11   1.485   6.860  -3.020
   77    HE2  MET  11          2HE       MET  11   0.821   5.786  -1.791
   78    HE3  MET  11          3HE       MET  11   0.028   7.323  -2.131
   79    H    ASN  12           H        ASN  12  -5.068   5.829  -1.403
   80    HA   ASN  12           HA       ASN  12  -6.304   8.064  -2.418
   81    HB2  ASN  12          2HB       ASN  12  -7.273   5.890  -1.498
   82    HB3  ASN  12          1HB       ASN  12  -7.236   6.658   0.090
   83   HD21  ASN  12          1HD2      ASN  12  -9.689   6.425  -0.044
   84   HD22  ASN  12          2HD2      ASN  12 -10.564   7.616  -0.880
   85    H    SER  13           H        SER  13  -5.981   7.704   1.121
   86    HA   SER  13           HA       SER  13  -5.245  10.545   1.328
   87    HB2  SER  13          2HB       SER  13  -7.351   9.640   3.190
   88    HB3  SER  13          1HB       SER  13  -7.207  11.167   2.324
   89    HG   SER  13           HG       SER  13  -8.152   8.668   1.385
   90    H    GLY  14           H        GLY  14  -3.243   9.126   1.914
   91    HA2  GLY  14          2HA       GLY  14  -2.633   9.327   4.615
   92    HA3  GLY  14          1HA       GLY  14  -3.246   7.691   4.387
   93    H    GLY  15           H        GLY  15  -1.435   9.488   1.959
   94    HA2  GLY  15          2HA       GLY  15   1.060   8.067   2.553
   95    HA3  GLY  15          1HA       GLY  15   0.254   7.543   1.071
   96    H    GLY  16           H        GLY  16   1.126  10.625   2.672
   97    HA2  GLY  16          2HA       GLY  16   1.306  11.997   0.137
   98    HA3  GLY  16          1HA       GLY  16   1.741  12.673   1.703
   99    H    LEU  17           H        LEU  17   3.270   9.698   1.326
  100    HA   LEU  17           HA       LEU  17   5.830  11.051   0.724
  101    HB2  LEU  17          2HB       LEU  17   6.167   9.811   2.606
  102    HB3  LEU  17          1HB       LEU  17   4.821   8.735   2.245
  103    HG   LEU  17           HG       LEU  17   6.142   7.498   0.677
  104   HD11  LEU  17          1HD1      LEU  17   7.946   8.357  -0.384
  105   HD12  LEU  17          2HD1      LEU  17   8.724   8.763   1.146
  106   HD13  LEU  17          3HD1      LEU  17   7.578   9.887   0.414
  107   HD21  LEU  17          1HD2      LEU  17   6.905   7.873   3.438
  108   HD22  LEU  17          2HD2      LEU  17   8.309   7.409   2.475
  109   HD23  LEU  17          3HD2      LEU  17   6.874   6.384   2.493
  110    H    SER  18           H        SER  18   4.361   7.899  -0.120
  111    HA   SER  18           HA       SER  18   4.907   8.332  -2.980
  112    HB2  SER  18          2HB       SER  18   6.728   7.014  -1.150
  113    HB3  SER  18          1HB       SER  18   6.218   5.922  -2.428
  114    HG   SER  18           HG       SER  18   8.095   7.385  -2.825
  115    H    PHE  19           H        PHE  19   4.772   5.828  -3.909
  116    HA   PHE  19           HA       PHE  19   2.152   4.763  -2.896
  117    HB2  PHE  19          2HB       PHE  19   1.835   5.602  -5.081
  118    HB3  PHE  19          1HB       PHE  19   3.442   5.109  -5.602
  119    HD1  PHE  19          1HD       PHE  19   0.496   3.377  -4.019
  120    HD2  PHE  19          2HD       PHE  19   3.404   3.411  -7.182
  121    HE1  PHE  19          1HE       PHE  19  -0.430   1.250  -4.896
  122    HE2  PHE  19          2HE       PHE  19   2.476   1.285  -8.058
  123    HZ   PHE  19           HZ       PHE  19   0.560   0.203  -6.915
  124    H    ILE  20           H        ILE  20   4.885   3.664  -4.871
  125    HA   ILE  20           HA       ILE  20   4.801   0.936  -4.470
  126    HB   ILE  20           HB       ILE  20   7.364   1.144  -4.552
  127   HG12  ILE  20          2HG1      ILE  20   6.686   4.087  -4.810
  128   HG13  ILE  20          1HG1      ILE  20   7.351   3.366  -3.344
  129   HG21  ILE  20          1HG2      ILE  20   5.827   1.032  -6.551
  130   HG22  ILE  20          2HG2      ILE  20   7.334   1.902  -6.845
  131   HG23  ILE  20          3HG2      ILE  20   5.837   2.796  -6.580
  132   HD11  ILE  20          1HD1      ILE  20   9.406   3.634  -4.222
  133   HD12  ILE  20          2HD1      ILE  20   8.726   4.156  -5.764
  134   HD13  ILE  20          3HD1      ILE  20   8.979   2.439  -5.448
  135    H    GLN  21           H        GLN  21   5.695   3.408  -2.137
  136    HA   GLN  21           HA       GLN  21   6.878   1.687  -0.152
  137    HB2  GLN  21          2HB       GLN  21   5.307   4.279   0.106
  138    HB3  GLN  21          1HB       GLN  21   6.406   3.620   1.318
  139    HG2  GLN  21          2HG       GLN  21   7.246   4.315  -1.509
  140    HG3  GLN  21          1HG       GLN  21   7.438   5.405  -0.135
  141   HE21  GLN  21          1HE2      GLN  21   8.947   2.873  -1.857
  142   HE22  GLN  21          2HE2      GLN  21  10.139   2.486  -0.712
  143    H    CYS  22           H        CYS  22   3.658   3.251  -0.035
  144    HA   CYS  22           HA       CYS  22   2.558   1.421   1.879
  145    HB2  CYS  22          2HB       CYS  22   1.591   3.504  -0.044
  146    HB3  CYS  22          1HB       CYS  22   0.389   2.418   0.659
  147    H    LYS  23           H        LYS  23   2.669   1.457  -1.669
  148    HA   LYS  23           HA       LYS  23   0.792  -0.472  -2.381
  149    HB2  LYS  23          2HB       LYS  23   2.212   0.724  -3.959
  150    HB3  LYS  23          1HB       LYS  23   3.652  -0.070  -3.318
  151    HG2  LYS  23          2HG       LYS  23   2.802  -1.099  -5.449
  152    HG3  LYS  23          1HG       LYS  23   2.878  -2.232  -4.099
  153    HD2  LYS  23          2HD       LYS  23   0.490  -1.946  -3.676
  154    HD3  LYS  23          1HD       LYS  23   0.386  -0.728  -4.947
  155    HE2  LYS  23          2HE       LYS  23   0.898  -2.359  -6.658
  156    HE3  LYS  23          1HE       LYS  23   1.271  -3.593  -5.435
  157    HZ1  LYS  23          1HZ       LYS  23  -0.912  -3.776  -4.809
  158    HZ2  LYS  23          2HZ       LYS  23  -1.109  -3.458  -6.466
  159    HZ3  LYS  23          3HZ       LYS  23  -1.319  -2.214  -5.328
  160    H    THR  24           H        THR  24   3.762  -0.915  -0.576
  161    HA   THR  24           HA       THR  24   3.125  -3.829  -0.330
  162    HB   THR  24           HB       THR  24   4.979  -3.278  -1.969
  163    HG1  THR  24          1HG       THR  24   5.516  -5.193  -1.352
  164   HG21  THR  24          1HG2      THR  24   6.408  -2.419   0.562
  165   HG22  THR  24          2HG2      THR  24   5.854  -1.325  -0.705
  166   HG23  THR  24          3HG2      THR  24   7.112  -2.510  -1.053
  167    H    MET  25           H        MET  25   4.897  -1.052   1.022
  168    HA   MET  25           HA       MET  25   5.800  -1.998   3.449
  169    HB2  MET  25          2HB       MET  25   4.379   0.576   2.729
  170    HB3  MET  25          1HB       MET  25   5.197   0.337   4.274
  171    HG2  MET  25          2HG       MET  25   6.617  -0.161   1.658
  172    HG3  MET  25          1HG       MET  25   6.554   1.448   2.377
  173    HE1  MET  25          1HE       MET  25   7.559   2.258   4.237
  174    HE2  MET  25          2HE       MET  25   8.998   2.004   3.251
  175    HE3  MET  25          3HE       MET  25   9.033   1.607   4.968
  176    H    CYS  26           H        CYS  26   2.743  -0.202   3.490
  177    HA   CYS  26           HA       CYS  26   1.687  -1.204   5.859
  178    HB2  CYS  26          2HB       CYS  26   0.725   0.618   4.518
  179    HB3  CYS  26          1HB       CYS  26   0.268  -0.529   3.260
  180    H    TYR  27           H        TYR  27   1.788  -3.395   6.316
  181    HA   TYR  27           HA       TYR  27   1.196  -5.445   4.321
  182    HB2  TYR  27          2HB       TYR  27   2.810  -5.488   6.327
  183    HB3  TYR  27          1HB       TYR  27   1.373  -5.735   7.326
  184    HD1  TYR  27          1HD       TYR  27   0.152  -7.822   7.285
  185    HD2  TYR  27          2HD       TYR  27   3.468  -7.169   4.632
  186    HE1  TYR  27          1HE       TYR  27   0.172 -10.237   6.715
  187    HE2  TYR  27          2HE       TYR  27   3.487  -9.583   4.062
  188    HH   TYR  27           HH       TYR  27   1.066 -11.594   4.502
  Start of MODEL    6
    1    H1   GLY   1          1HT       GLY   1  -7.639  -8.904   1.048
    2    H2   GLY   1          2HT       GLY   1  -6.581  -7.594   0.824
    3    H3   GLY   1          3HT       GLY   1  -8.260  -7.338   0.856
    4    HA2  GLY   1          2HA       GLY   1  -7.946  -6.788   2.989
    5    HA3  GLY   1          1HA       GLY   1  -7.879  -8.535   3.227
    6    H    GLY   2           H        GLY   2  -5.563  -6.218   1.786
    7    HA2  GLY   2          2HA       GLY   2  -3.690  -6.456   3.978
    8    HA3  GLY   2          1HA       GLY   2  -3.218  -7.483   2.623
    9    H    LEU   3           H        LEU   3  -3.173  -6.323   0.441
   10    HA   LEU   3           HA       LEU   3  -1.737  -3.757   0.792
   11    HB2  LEU   3          2HB       LEU   3  -2.197  -5.567  -1.600
   12    HB3  LEU   3          1HB       LEU   3  -1.078  -4.203  -1.551
   13    HG   LEU   3           HG       LEU   3  -0.802  -6.231   0.610
   14   HD11  LEU   3          1HD1      LEU   3  -0.920  -7.038  -2.108
   15   HD12  LEU   3          2HD1      LEU   3  -0.382  -7.992  -0.726
   16   HD13  LEU   3          3HD1      LEU   3   0.783  -7.045  -1.650
   17   HD21  LEU   3          1HD2      LEU   3   1.164  -5.149   0.825
   18   HD22  LEU   3          2HD2      LEU   3   0.651  -4.052  -0.458
   19   HD23  LEU   3          3HD2      LEU   3   1.581  -5.497  -0.852
   20    H    GLY   4           H        GLY   4  -4.481  -5.067  -1.062
   21    HA2  GLY   4          2HA       GLY   4  -5.291  -2.899  -2.545
   22    HA3  GLY   4          1HA       GLY   4  -6.451  -3.969  -1.758
   23    H    ARG   5           H        ARG   5  -6.089  -3.418   0.892
   24    HA   ARG   5           HA       ARG   5  -7.396  -0.828   1.171
   25    HB2  ARG   5          2HB       ARG   5  -6.745  -3.220   2.758
   26    HB3  ARG   5          1HB       ARG   5  -6.718  -1.725   3.695
   27    HG2  ARG   5          2HG       ARG   5  -8.975  -2.849   3.612
   28    HG3  ARG   5          1HG       ARG   5  -8.975  -1.185   3.031
   29    HD2  ARG   5          2HD       ARG   5  -8.367  -2.763   0.769
   30    HD3  ARG   5          1HD       ARG   5  -9.700  -3.592   1.594
   31    HE   ARG   5           HE       ARG   5 -11.081  -1.750   1.072
   32   HH11  ARG   5          1HH1      ARG   5  -9.477  -1.008  -1.271
   33   HH12  ARG   5          2HH1      ARG   5  -9.018   0.624  -0.935
   34   HH21  ARG   5          1HH2      ARG   5  -9.718   0.407   2.457
   35   HH22  ARG   5          2HH2      ARG   5  -9.139   1.419   1.186
   36    H    CYS   6           H        CYS   6  -4.181  -2.130   1.926
   37    HA   CYS   6           HA       CYS   6  -3.084  -0.027   3.415
   38    HB2  CYS   6          2HB       CYS   6  -2.129  -2.063   1.465
   39    HB3  CYS   6          1HB       CYS   6  -1.006  -0.758   1.852
   40    H    ILE   7           H        ILE   7  -2.620  -0.358  -0.107
   41    HA   ILE   7           HA       ILE   7  -1.681   2.207  -0.647
   42    HB   ILE   7           HB       ILE   7  -3.454   0.346  -2.235
   43   HG12  ILE   7          2HG1      ILE   7  -0.946   0.238  -3.269
   44   HG13  ILE   7          1HG1      ILE   7  -0.616   0.516  -1.566
   45   HG21  ILE   7          1HG2      ILE   7  -3.237   2.860  -2.975
   46   HG22  ILE   7          2HG2      ILE   7  -3.008   1.583  -4.170
   47   HG23  ILE   7          3HG2      ILE   7  -1.608   2.377  -3.448
   48   HD11  ILE   7          1HD1      ILE   7  -1.423  -1.528  -0.938
   49   HD12  ILE   7          2HD1      ILE   7  -1.052  -1.949  -2.610
   50   HD13  ILE   7          3HD1      ILE   7  -2.698  -1.506  -2.157
   51    H    TYR   8           H        TYR   8  -5.101   1.132  -0.592
   52    HA   TYR   8           HA       TYR   8  -6.312   3.573  -1.332
   53    HB2  TYR   8          2HB       TYR   8  -7.294   1.249  -0.904
   54    HB3  TYR   8          1HB       TYR   8  -7.360   1.727   0.794
   55    HD1  TYR   8          1HD       TYR   8  -8.707   3.707   1.495
   56    HD2  TYR   8          2HD       TYR   8  -8.804   2.200  -2.527
   57    HE1  TYR   8          1HE       TYR   8 -10.782   4.994   1.062
   58    HE2  TYR   8          2HE       TYR   8 -10.880   3.487  -2.959
   59    HH   TYR   8           HH       TYR   8 -12.471   5.329  -0.370
   60    H    ASN   9           H        ASN   9  -6.114   2.397   2.017
   61    HA   ASN   9           HA       ASN   9  -6.639   4.887   3.248
   62    HB2  ASN   9          2HB       ASN   9  -4.968   2.631   4.371
   63    HB3  ASN   9          1HB       ASN   9  -6.024   3.732   5.255
   64   HD21  ASN   9          1HD2      ASN   9  -8.368   3.683   3.751
   65   HD22  ASN   9          2HD2      ASN   9  -9.001   2.109   3.708
   66    H    CYS  10           H        CYS  10  -3.658   3.627   1.908
   67    HA   CYS  10           HA       CYS  10  -2.028   5.621   3.310
   68    HB2  CYS  10          2HB       CYS  10  -1.546   3.089   2.746
   69    HB3  CYS  10          1HB       CYS  10  -1.030   3.755   1.198
   70    H    MET  11           H        MET  11  -2.119   4.576  -0.061
   71    HA   MET  11           HA       MET  11  -1.134   7.035  -1.119
   72    HB2  MET  11          2HB       MET  11  -2.718   4.824  -2.424
   73    HB3  MET  11          1HB       MET  11  -1.577   5.914  -3.213
   74    HG2  MET  11          2HG       MET  11  -0.977   3.754  -1.184
   75    HG3  MET  11          1HG       MET  11  -0.365   3.891  -2.825
   76    HE1  MET  11          1HE       MET  11   0.226   6.272  -3.491
   77    HE2  MET  11          2HE       MET  11   1.755   6.908  -2.892
   78    HE3  MET  11          3HE       MET  11   0.238   7.535  -2.253
   79    H    ASN  12           H        ASN  12  -4.354   5.578  -1.633
   80    HA   ASN  12           HA       ASN  12  -5.641   7.810  -2.743
   81    HB2  ASN  12          2HB       ASN  12  -6.310   5.288  -2.213
   82    HB3  ASN  12          1HB       ASN  12  -7.099   6.036  -0.824
   83   HD21  ASN  12          1HD2      ASN  12  -9.097   7.058  -1.197
   84   HD22  ASN  12          2HD2      ASN  12  -9.753   7.338  -2.738
   85    H    SER  13           H        SER  13  -6.224   6.798   0.625
   86    HA   SER  13           HA       SER  13  -7.459   9.019   1.651
   87    HB2  SER  13          2HB       SER  13  -5.720   6.879   2.615
   88    HB3  SER  13          1HB       SER  13  -5.641   8.314   3.633
   89    HG   SER  13           HG       SER  13  -7.466   7.612   4.400
   90    H    GLY  14           H        GLY  14  -4.061   8.761   2.565
   91    HA2  GLY  14          2HA       GLY  14  -2.996  10.978   1.241
   92    HA3  GLY  14          1HA       GLY  14  -3.729  11.582   2.727
   93    H    GLY  15           H        GLY  15  -3.138   9.031   4.154
   94    HA2  GLY  15          2HA       GLY  15  -0.485   9.747   5.098
   95    HA3  GLY  15          1HA       GLY  15  -1.444   8.370   5.653
   96    H    GLY  16           H        GLY  16  -0.012   9.316   2.513
   97    HA2  GLY  16          2HA       GLY  16   1.707   6.979   2.529
   98    HA3  GLY  16          1HA       GLY  16   0.405   6.899   1.341
   99    H    LEU  17           H        LEU  17   3.297   8.675   2.306
  100    HA   LEU  17           HA       LEU  17   3.376  10.734   0.439
  101    HB2  LEU  17          2HB       LEU  17   5.918  10.254   0.554
  102    HB3  LEU  17          1HB       LEU  17   5.065  10.653   2.043
  103    HG   LEU  17           HG       LEU  17   4.838   7.841   1.676
  104   HD11  LEU  17          1HD1      LEU  17   6.848   7.107   0.968
  105   HD12  LEU  17          2HD1      LEU  17   7.716   8.348   1.873
  106   HD13  LEU  17          3HD1      LEU  17   7.036   8.724   0.289
  107   HD21  LEU  17          1HD2      LEU  17   5.706   7.801   3.852
  108   HD22  LEU  17          2HD2      LEU  17   5.061   9.440   3.756
  109   HD23  LEU  17          3HD2      LEU  17   6.789   9.158   3.546
  110    H    SER  18           H        SER  18   5.076   7.639  -0.171
  111    HA   SER  18           HA       SER  18   4.745   8.151  -3.083
  112    HB2  SER  18          2HB       SER  18   6.449   6.058  -1.743
  113    HB3  SER  18          1HB       SER  18   6.681   6.819  -3.308
  114    HG   SER  18           HG       SER  18   7.261   8.699  -2.305
  115    H    PHE  19           H        PHE  19   4.186   6.309  -4.455
  116    HA   PHE  19           HA       PHE  19   1.972   4.715  -3.414
  117    HB2  PHE  19          2HB       PHE  19   1.797   5.551  -5.622
  118    HB3  PHE  19          1HB       PHE  19   3.441   5.064  -6.024
  119    HD1  PHE  19          1HD       PHE  19   0.097   3.672  -5.079
  120    HD2  PHE  19          2HD       PHE  19   3.845   3.000  -7.066
  121    HE1  PHE  19          1HE       PHE  19  -0.759   1.521  -5.969
  122    HE2  PHE  19          2HE       PHE  19   2.990   0.850  -7.956
  123    HZ   PHE  19           HZ       PHE  19   0.687   0.111  -7.408
  124    H    ILE  20           H        ILE  20   4.826   3.649  -5.252
  125    HA   ILE  20           HA       ILE  20   4.821   0.955  -4.679
  126    HB   ILE  20           HB       ILE  20   7.386   1.246  -4.708
  127   HG12  ILE  20          2HG1      ILE  20   6.653   4.119  -5.302
  128   HG13  ILE  20          1HG1      ILE  20   7.169   3.592  -3.699
  129   HG21  ILE  20          1HG2      ILE  20   6.949   2.612  -7.075
  130   HG22  ILE  20          2HG2      ILE  20   5.376   1.887  -6.744
  131   HG23  ILE  20          3HG2      ILE  20   6.809   0.866  -6.863
  132   HD11  ILE  20          1HD1      ILE  20   9.189   2.529  -4.943
  133   HD12  ILE  20          2HD1      ILE  20   9.182   4.277  -4.706
  134   HD13  ILE  20          3HD1      ILE  20   8.736   3.596  -6.272
  135    H    GLN  21           H        GLN  21   5.585   3.575  -2.470
  136    HA   GLN  21           HA       GLN  21   6.822   2.052  -0.382
  137    HB2  GLN  21          2HB       GLN  21   5.467   4.666  -0.768
  138    HB3  GLN  21          1HB       GLN  21   5.488   4.068   0.892
  139    HG2  GLN  21          2HG       GLN  21   7.911   4.387  -0.906
  140    HG3  GLN  21          1HG       GLN  21   7.485   5.437   0.447
  141   HE21  GLN  21          1HE2      GLN  21   9.708   3.218  -0.176
  142   HE22  GLN  21          2HE2      GLN  21   9.776   2.379   1.297
  143    H    CYS  22           H        CYS  22   3.499   3.378  -0.248
  144    HA   CYS  22           HA       CYS  22   2.548   1.459   1.644
  145    HB2  CYS  22          2HB       CYS  22   1.045   3.074  -0.443
  146    HB3  CYS  22          1HB       CYS  22   0.361   2.401   1.037
  147    H    LYS  23           H        LYS  23   2.627   1.508  -1.909
  148    HA   LYS  23           HA       LYS  23   0.857  -0.542  -2.564
  149    HB2  LYS  23          2HB       LYS  23   2.621   0.987  -3.872
  150    HB3  LYS  23          1HB       LYS  23   3.574  -0.496  -3.811
  151    HG2  LYS  23          2HG       LYS  23   0.826  -0.113  -5.013
  152    HG3  LYS  23          1HG       LYS  23   2.304  -0.611  -5.837
  153    HD2  LYS  23          2HD       LYS  23   2.339  -2.649  -4.349
  154    HD3  LYS  23          1HD       LYS  23   0.737  -2.180  -3.781
  155    HE2  LYS  23          2HE       LYS  23   0.338  -3.729  -5.569
  156    HE3  LYS  23          1HE       LYS  23   0.066  -2.128  -6.284
  157    HZ1  LYS  23          1HZ       LYS  23   1.997  -2.200  -7.433
  158    HZ2  LYS  23          2HZ       LYS  23   1.761  -3.879  -7.324
  159    HZ3  LYS  23          3HZ       LYS  23   2.813  -3.095  -6.246
  160    H    THR  24           H        THR  24   3.850  -0.782  -0.773
  161    HA   THR  24           HA       THR  24   3.420  -3.717  -0.529
  162    HB   THR  24           HB       THR  24   6.172  -3.460  -0.792
  163    HG1  THR  24          1HG       THR  24   6.540  -2.090  -2.424
  164   HG21  THR  24          1HG2      THR  24   4.980  -4.022  -3.347
  165   HG22  THR  24          2HG2      THR  24   3.997  -4.748  -2.075
  166   HG23  THR  24          3HG2      THR  24   5.711  -5.146  -2.201
  167    H    MET  25           H        MET  25   5.091  -0.805   0.628
  168    HA   MET  25           HA       MET  25   6.359  -1.926   2.891
  169    HB2  MET  25          2HB       MET  25   6.703   0.320   3.513
  170    HB3  MET  25          1HB       MET  25   6.486   0.422   1.768
  171    HG2  MET  25          2HG       MET  25   4.971   2.035   2.347
  172    HG3  MET  25          1HG       MET  25   3.911   0.645   2.556
  173    HE1  MET  25          1HE       MET  25   2.757   2.553   3.595
  174    HE2  MET  25          2HE       MET  25   3.773   3.741   4.408
  175    HE3  MET  25          3HE       MET  25   2.686   2.728   5.354
  176    H    CYS  26           H        CYS  26   3.017  -0.959   2.361
  177    HA   CYS  26           HA       CYS  26   2.359  -1.407   5.228
  178    HB2  CYS  26          2HB       CYS  26   1.435   0.548   4.109
  179    HB3  CYS  26          1HB       CYS  26   0.796  -0.456   2.807
  180    H    TYR  27           H        TYR  27   1.974  -3.530   5.769
  181    HA   TYR  27           HA       TYR  27   1.527  -5.682   4.001
  182    HB2  TYR  27          2HB       TYR  27   2.123  -5.643   6.488
  183    HB3  TYR  27          1HB       TYR  27   0.398  -5.415   6.799
  184    HD1  TYR  27          1HD       TYR  27   2.944  -7.822   6.397
  185    HD2  TYR  27          2HD       TYR  27  -1.192  -7.103   5.484
  186    HE1  TYR  27          1HE       TYR  27   2.574 -10.262   6.146
  187    HE2  TYR  27          2HE       TYR  27  -1.560  -9.542   5.231
  188    HH   TYR  27           HH       TYR  27   0.724 -11.861   6.257
  Start of MODEL    7
    1    H1   GLY   1          1HT       GLY   1  -6.153 -10.236   1.434
    2    H2   GLY   1          2HT       GLY   1  -4.673 -10.357   2.259
    3    H3   GLY   1          3HT       GLY   1  -4.859  -9.227   1.004
    4    HA2  GLY   1          2HA       GLY   1  -6.451  -7.978   2.287
    5    HA3  GLY   1          1HA       GLY   1  -6.341  -9.177   3.577
    6    H    GLY   2           H        GLY   2  -5.220  -6.203   2.662
    7    HA2  GLY   2          2HA       GLY   2  -3.600  -5.556   4.716
    8    HA3  GLY   2          1HA       GLY   2  -2.492  -6.526   3.745
    9    H    LEU   3           H        LEU   3  -2.600  -5.845   1.284
   10    HA   LEU   3           HA       LEU   3  -1.727  -3.090   1.135
   11    HB2  LEU   3          2HB       LEU   3  -2.491  -4.921  -1.150
   12    HB3  LEU   3          1HB       LEU   3  -1.247  -3.672  -1.132
   13    HG   LEU   3           HG       LEU   3  -0.575  -5.384   0.986
   14   HD11  LEU   3          1HD1      LEU   3  -1.808  -6.828  -1.322
   15   HD12  LEU   3          2HD1      LEU   3  -1.774  -7.265   0.387
   16   HD13  LEU   3          3HD1      LEU   3  -0.344  -7.511  -0.614
   17   HD21  LEU   3          1HD2      LEU   3   1.350  -4.846  -0.066
   18   HD22  LEU   3          2HD2      LEU   3   0.487  -4.447  -1.551
   19   HD23  LEU   3          3HD2      LEU   3   0.983  -6.111  -1.239
   20    H    GLY   4           H        GLY   4  -4.736  -4.769   0.408
   21    HA2  GLY   4          2HA       GLY   4  -6.094  -3.052  -1.254
   22    HA3  GLY   4          1HA       GLY   4  -6.886  -3.859   0.099
   23    H    ARG   5           H        ARG   5  -6.477  -2.738   2.276
   24    HA   ARG   5           HA       ARG   5  -7.477  -0.063   2.167
   25    HB2  ARG   5          2HB       ARG   5  -6.156  -1.702   4.343
   26    HB3  ARG   5          1HB       ARG   5  -6.995  -0.178   4.634
   27    HG2  ARG   5          2HG       ARG   5  -8.174  -2.745   3.542
   28    HG3  ARG   5          1HG       ARG   5  -8.583  -1.937   5.056
   29    HD2  ARG   5          2HD       ARG   5 -10.331  -1.210   3.674
   30    HD3  ARG   5          1HD       ARG   5  -9.153   0.095   3.429
   31    HE   ARG   5           HE       ARG   5  -8.909  -2.230   1.619
   32   HH11  ARG   5          1HH1      ARG   5  -8.317  -1.289  -0.440
   33   HH12  ARG   5          2HH1      ARG   5  -9.197   0.111  -0.956
   34   HH21  ARG   5          1HH2      ARG   5 -10.784   0.569   2.092
   35   HH22  ARG   5          2HH2      ARG   5 -10.604   1.153   0.472
   36    H    CYS   6           H        CYS   6  -4.194  -1.294   2.850
   37    HA   CYS   6           HA       CYS   6  -2.825   1.001   3.573
   38    HB2  CYS   6          2HB       CYS   6  -2.273  -1.476   2.095
   39    HB3  CYS   6          1HB       CYS   6  -1.177  -0.163   1.661
   40    H    ILE   7           H        ILE   7  -2.360   0.090   0.211
   41    HA   ILE   7           HA       ILE   7  -1.860   2.550  -0.907
   42    HB   ILE   7           HB       ILE   7  -3.393   0.146  -1.894
   43   HG12  ILE   7          2HG1      ILE   7  -0.981   0.240  -3.147
   44   HG13  ILE   7          1HG1      ILE   7  -0.609   0.959  -1.586
   45   HG21  ILE   7          1HG2      ILE   7  -2.121   1.609  -4.006
   46   HG22  ILE   7          2HG2      ILE   7  -3.222   2.685  -3.149
   47   HG23  ILE   7          3HG2      ILE   7  -3.824   1.181  -3.845
   48   HD11  ILE   7          1HD1      ILE   7  -0.953  -0.995  -0.457
   49   HD12  ILE   7          2HD1      ILE   7  -0.633  -1.723  -2.032
   50   HD13  ILE   7          3HD1      ILE   7  -2.294  -1.471  -1.498
   51    H    TYR   8           H        TYR   8  -5.125   1.112  -0.480
   52    HA   TYR   8           HA       TYR   8  -6.737   3.063  -1.609
   53    HB2  TYR   8          2HB       TYR   8  -7.374   0.940  -0.377
   54    HB3  TYR   8          1HB       TYR   8  -7.176   1.843   1.126
   55    HD1  TYR   8          1HD       TYR   8  -8.925   3.194   1.949
   56    HD2  TYR   8          2HD       TYR   8  -8.970   1.922  -2.155
   57    HE1  TYR   8          1HE       TYR   8 -11.199   4.146   1.679
   58    HE2  TYR   8          2HE       TYR   8 -11.245   2.873  -2.424
   59    HH   TYR   8           HH       TYR   8 -12.792   4.229  -1.479
   60    H    ASN   9           H        ASN   9  -6.035   3.116   1.878
   61    HA   ASN   9           HA       ASN   9  -6.655   5.891   2.172
   62    HB2  ASN   9          2HB       ASN   9  -4.942   4.170   3.973
   63    HB3  ASN   9          1HB       ASN   9  -5.995   5.505   4.442
   64   HD21  ASN   9          1HD2      ASN   9  -8.426   5.092   3.655
   65   HD22  ASN   9          2HD2      ASN   9  -9.014   3.525   3.942
   66    H    CYS  10           H        CYS  10  -3.652   4.112   1.617
   67    HA   CYS  10           HA       CYS  10  -1.873   6.290   2.145
   68    HB2  CYS  10          2HB       CYS  10  -1.645   3.641   1.910
   69    HB3  CYS  10          1HB       CYS  10  -1.205   4.080   0.263
   70    H    MET  11           H        MET  11  -2.451   4.704  -0.978
   71    HA   MET  11           HA       MET  11  -1.426   6.755  -2.614
   72    HB2  MET  11          2HB       MET  11  -3.401   4.522  -2.943
   73    HB3  MET  11          1HB       MET  11  -3.015   5.582  -4.299
   74    HG2  MET  11          2HG       MET  11  -0.812   4.333  -2.671
   75    HG3  MET  11          1HG       MET  11  -1.587   3.426  -3.969
   76    HE1  MET  11          1HE       MET  11   0.416   7.012  -3.333
   77    HE2  MET  11          2HE       MET  11   1.757   6.201  -4.135
   78    HE3  MET  11          3HE       MET  11   0.926   5.405  -2.800
   79    H    ASN  12           H        ASN  12  -4.918   6.012  -2.483
   80    HA   ASN  12           HA       ASN  12  -5.964   8.289  -3.624
   81    HB2  ASN  12          2HB       ASN  12  -7.005   7.040  -1.072
   82    HB3  ASN  12          1HB       ASN  12  -7.951   7.832  -2.330
   83   HD21  ASN  12          1HD2      ASN  12  -8.073   4.990  -1.340
   84   HD22  ASN  12          2HD2      ASN  12  -7.850   4.033  -2.724
   85    H    SER  13           H        SER  13  -5.779   8.051  -0.075
   86    HA   SER  13           HA       SER  13  -4.363  10.462   0.379
   87    HB2  SER  13          2HB       SER  13  -6.084  11.667  -0.691
   88    HB3  SER  13          1HB       SER  13  -7.341  10.628  -0.024
   89    HG   SER  13           HG       SER  13  -7.145  12.711   1.008
   90    H    GLY  14           H        GLY  14  -3.570   9.561   2.270
   91    HA2  GLY  14          2HA       GLY  14  -5.267   9.529   4.589
   92    HA3  GLY  14          1HA       GLY  14  -4.785   7.903   4.106
   93    H    GLY  15           H        GLY  15  -2.189   8.623   3.114
   94    HA2  GLY  15          2HA       GLY  15  -0.843   9.469   5.650
   95    HA3  GLY  15          1HA       GLY  15  -0.232   8.139   4.660
   96    H    GLY  16           H        GLY  16  -1.359  10.168   2.410
   97    HA2  GLY  16          2HA       GLY  16  -0.166  11.429   0.809
   98    HA3  GLY  16          1HA       GLY  16   0.135  12.458   2.212
   99    H    LEU  17           H        LEU  17   1.407   9.580   0.527
  100    HA   LEU  17           HA       LEU  17   4.146  10.503   1.229
  101    HB2  LEU  17          2HB       LEU  17   4.597   8.034   1.766
  102    HB3  LEU  17          1HB       LEU  17   3.678   8.963   2.949
  103    HG   LEU  17           HG       LEU  17   1.943   7.816   0.917
  104   HD11  LEU  17          1HD1      LEU  17   4.143   6.225   1.654
  105   HD12  LEU  17          2HD1      LEU  17   2.680   5.702   0.819
  106   HD13  LEU  17          3HD1      LEU  17   2.772   5.611   2.579
  107   HD21  LEU  17          1HD2      LEU  17   0.566   7.755   2.717
  108   HD22  LEU  17          2HD2      LEU  17   1.854   8.569   3.604
  109   HD23  LEU  17          3HD2      LEU  17   1.722   6.811   3.655
  110    H    SER  18           H        SER  18   4.095   7.343   0.047
  111    HA   SER  18           HA       SER  18   4.282   8.272  -2.790
  112    HB2  SER  18          2HB       SER  18   6.280   7.109  -0.982
  113    HB3  SER  18          1HB       SER  18   6.155   6.253  -2.516
  114    HG   SER  18           HG       SER  18   7.608   8.159  -2.387
  115    H    PHE  19           H        PHE  19   4.869   5.833  -3.927
  116    HA   PHE  19           HA       PHE  19   2.345   4.321  -3.461
  117    HB2  PHE  19          2HB       PHE  19   3.017   5.307  -5.688
  118    HB3  PHE  19          1HB       PHE  19   4.370   4.180  -5.708
  119    HD1  PHE  19          1HD       PHE  19   3.662   2.967  -7.676
  120    HD2  PHE  19          2HD       PHE  19   1.062   3.319  -4.273
  121    HE1  PHE  19          1HE       PHE  19   2.194   1.204  -8.612
  122    HE2  PHE  19          2HE       PHE  19  -0.405   1.557  -5.212
  123    HZ   PHE  19           HZ       PHE  19   0.161   0.499  -7.382
  124    H    ILE  20           H        ILE  20   5.789   3.708  -4.081
  125    HA   ILE  20           HA       ILE  20   5.721   0.889  -3.534
  126    HB   ILE  20           HB       ILE  20   8.148   2.498  -2.838
  127   HG12  ILE  20          2HG1      ILE  20   8.391   2.342  -5.558
  128   HG13  ILE  20          1HG1      ILE  20   6.677   2.735  -5.393
  129   HG21  ILE  20          1HG2      ILE  20   8.283   0.075  -2.886
  130   HG22  ILE  20          2HG2      ILE  20   9.204   0.720  -4.244
  131   HG23  ILE  20          3HG2      ILE  20   7.602   0.032  -4.512
  132   HD11  ILE  20          1HD1      ILE  20   8.843   4.523  -5.189
  133   HD12  ILE  20          2HD1      ILE  20   8.258   4.302  -3.540
  134   HD13  ILE  20          3HD1      ILE  20   7.154   4.855  -4.800
  135    H    GLN  21           H        GLN  21   5.594   3.650  -1.470
  136    HA   GLN  21           HA       GLN  21   6.572   2.274   0.924
  137    HB2  GLN  21          2HB       GLN  21   5.028   4.866   0.698
  138    HB3  GLN  21          1HB       GLN  21   6.178   4.402   1.953
  139    HG2  GLN  21          2HG       GLN  21   7.821   4.155  -0.113
  140    HG3  GLN  21          1HG       GLN  21   6.696   5.291  -0.857
  141   HE21  GLN  21          1HE2      GLN  21   9.490   5.161   1.008
  142   HE22  GLN  21          2HE2      GLN  21   9.401   6.697   1.723
  143    H    CYS  22           H        CYS  22   3.946   1.607  -0.748
  144    HA   CYS  22           HA       CYS  22   2.374   0.765   1.570
  145    HB2  CYS  22          2HB       CYS  22   1.799   3.107  -0.168
  146    HB3  CYS  22          1HB       CYS  22   0.432   2.062   0.206
  147    H    LYS  23           H        LYS  23   2.620   1.161  -1.953
  148    HA   LYS  23           HA       LYS  23   0.685  -0.647  -2.869
  149    HB2  LYS  23          2HB       LYS  23   1.963   0.794  -4.324
  150    HB3  LYS  23          1HB       LYS  23   3.473   0.027  -3.840
  151    HG2  LYS  23          2HG       LYS  23   2.641  -0.772  -6.062
  152    HG3  LYS  23          1HG       LYS  23   2.802  -2.067  -4.875
  153    HD2  LYS  23          2HD       LYS  23   0.406  -1.959  -4.388
  154    HD3  LYS  23          1HD       LYS  23   0.220  -0.611  -5.511
  155    HE2  LYS  23          2HE       LYS  23   1.236  -2.212  -7.289
  156    HE3  LYS  23          1HE       LYS  23   0.833  -3.501  -6.136
  157    HZ1  LYS  23          1HZ       LYS  23  -1.397  -2.151  -6.001
  158    HZ2  LYS  23          2HZ       LYS  23  -1.154  -3.314  -7.216
  159    HZ3  LYS  23          3HZ       LYS  23  -0.950  -1.663  -7.563
  160    H    THR  24           H        THR  24   3.872  -1.331  -1.490
  161    HA   THR  24           HA       THR  24   3.203  -4.249  -1.634
  162    HB   THR  24           HB       THR  24   6.047  -3.438  -1.744
  163    HG1  THR  24          1HG       THR  24   5.688  -3.040  -4.074
  164   HG21  THR  24          1HG2      THR  24   6.226  -5.322  -3.131
  165   HG22  THR  24          2HG2      THR  24   4.548  -5.205  -3.662
  166   HG23  THR  24          3HG2      THR  24   4.921  -5.771  -2.033
  167    H    MET  25           H        MET  25   4.600  -1.598   0.208
  168    HA   MET  25           HA       MET  25   5.985  -2.970   2.218
  169    HB2  MET  25          2HB       MET  25   5.822  -0.936   3.370
  170    HB3  MET  25          1HB       MET  25   5.497  -0.430   1.713
  171    HG2  MET  25          2HG       MET  25   3.730   0.575   2.844
  172    HG3  MET  25          1HG       MET  25   2.993  -0.949   2.363
  173    HE1  MET  25          1HE       MET  25   1.555   0.149   5.684
  174    HE2  MET  25          2HE       MET  25   2.032   0.937   4.182
  175    HE3  MET  25          3HE       MET  25   2.949   1.237   5.656
  176    H    CYS  26           H        CYS  26   2.528  -2.619   1.699
  177    HA   CYS  26           HA       CYS  26   1.727  -3.662   4.302
  178    HB2  CYS  26          2HB       CYS  26   0.589  -2.309   2.162
  179    HB3  CYS  26          1HB       CYS  26  -0.157  -3.904   2.069
  180    H    TYR  27           H        TYR  27   1.696  -5.803   4.874
  181    HA   TYR  27           HA       TYR  27   1.933  -7.855   2.710
  182    HB2  TYR  27          2HB       TYR  27   3.583  -7.462   4.723
  183    HB3  TYR  27          1HB       TYR  27   2.353  -8.323   5.654
  184    HD1  TYR  27          1HD       TYR  27   5.354  -9.007   4.511
  185    HD2  TYR  27          2HD       TYR  27   1.335 -10.255   3.643
  186    HE1  TYR  27          1HE       TYR  27   6.210 -11.165   3.641
  187    HE2  TYR  27          2HE       TYR  27   2.192 -12.411   2.772
  188    HH   TYR  27           HH       TYR  27   4.012 -13.571   2.213
  Start of MODEL    8
    1    H1   GLY   1          1HT       GLY   1  -5.601  -6.089   4.060
    2    H2   GLY   1          2HT       GLY   1  -5.930  -6.834   5.550
    3    H3   GLY   1          3HT       GLY   1  -7.009  -7.014   4.249
    4    HA2  GLY   1          2HA       GLY   1  -5.242  -8.863   4.880
    5    HA3  GLY   1          1HA       GLY   1  -5.768  -8.579   3.220
    6    H    GLY   2           H        GLY   2  -4.392  -7.291   1.834
    7    HA2  GLY   2          2HA       GLY   2  -1.618  -6.906   2.879
    8    HA3  GLY   2          1HA       GLY   2  -1.894  -7.693   1.324
    9    H    LEU   3           H        LEU   3  -3.376  -6.317  -0.188
   10    HA   LEU   3           HA       LEU   3  -2.532  -3.444   0.023
   11    HB2  LEU   3          2HB       LEU   3  -2.938  -5.151  -2.452
   12    HB3  LEU   3          1HB       LEU   3  -2.274  -3.518  -2.400
   13    HG   LEU   3           HG       LEU   3  -1.009  -5.783  -0.858
   14   HD11  LEU   3          1HD1      LEU   3  -1.023  -6.514  -3.172
   15   HD12  LEU   3          2HD1      LEU   3   0.598  -5.939  -2.786
   16   HD13  LEU   3          3HD1      LEU   3  -0.498  -4.922  -3.721
   17   HD21  LEU   3          1HD2      LEU   3   0.849  -4.330  -0.702
   18   HD22  LEU   3          2HD2      LEU   3  -0.534  -3.257  -0.486
   19   HD23  LEU   3          3HD2      LEU   3   0.290  -3.329  -2.043
   20    H    GLY   4           H        GLY   4  -5.151  -5.524   0.076
   21    HA2  GLY   4          2HA       GLY   4  -7.084  -4.343  -1.570
   22    HA3  GLY   4          1HA       GLY   4  -7.454  -5.161  -0.054
   23    H    ARG   5           H        ARG   5  -6.331  -3.542   1.829
   24    HA   ARG   5           HA       ARG   5  -7.886  -1.010   1.475
   25    HB2  ARG   5          2HB       ARG   5  -8.645  -2.484   3.254
   26    HB3  ARG   5          1HB       ARG   5  -7.010  -2.591   3.909
   27    HG2  ARG   5          2HG       ARG   5  -7.418  -0.773   5.164
   28    HG3  ARG   5          1HG       ARG   5  -7.630   0.171   3.689
   29    HD2  ARG   5          2HD       ARG   5 -10.006  -1.376   4.062
   30    HD3  ARG   5          1HD       ARG   5  -9.635  -0.560   5.595
   31    HE   ARG   5           HE       ARG   5 -10.324   1.405   4.487
   32   HH11  ARG   5          1HH1      ARG   5 -10.100  -0.824   2.044
   33   HH12  ARG   5          2HH1      ARG   5  -9.550   0.272   0.825
   34   HH21  ARG   5          1HH2      ARG   5  -9.004   2.884   3.045
   35   HH22  ARG   5          2HH2      ARG   5  -8.937   2.381   1.390
   36    H    CYS   6           H        CYS   6  -4.693  -2.287   2.209
   37    HA   CYS   6           HA       CYS   6  -3.395  -0.175   3.467
   38    HB2  CYS   6          2HB       CYS   6  -2.652  -2.120   1.297
   39    HB3  CYS   6          1HB       CYS   6  -1.473  -0.926   1.835
   40    H    ILE   7           H        ILE   7  -2.611  -0.414   0.060
   41    HA   ILE   7           HA       ILE   7  -2.132   2.235  -0.492
   42    HB   ILE   7           HB       ILE   7  -3.371   0.003  -2.092
   43   HG12  ILE   7          2HG1      ILE   7  -0.876   0.493  -3.029
   44   HG13  ILE   7          1HG1      ILE   7  -0.709   0.938  -1.337
   45   HG21  ILE   7          1HG2      ILE   7  -3.798   1.449  -3.768
   46   HG22  ILE   7          2HG2      ILE   7  -2.077   1.831  -3.815
   47   HG23  ILE   7          3HG2      ILE   7  -3.165   2.785  -2.809
   48   HD11  ILE   7          1HD1      ILE   7  -0.445  -1.608  -2.232
   49   HD12  ILE   7          2HD1      ILE   7  -2.173  -1.582  -1.874
   50   HD13  ILE   7          3HD1      ILE   7  -1.004  -1.210  -0.607
   51    H    TYR   8           H        TYR   8  -5.351   0.651  -0.705
   52    HA   TYR   8           HA       TYR   8  -6.868   2.797  -1.649
   53    HB2  TYR   8          2HB       TYR   8  -7.477   0.380  -0.876
   54    HB3  TYR   8          1HB       TYR   8  -7.777   1.127   0.687
   55    HD1  TYR   8          1HD       TYR   8  -9.700  -0.191  -1.480
   56    HD2  TYR   8          2HD       TYR   8  -8.761   3.843  -0.342
   57    HE1  TYR   8          1HE       TYR   8 -11.922   0.556  -2.293
   58    HE2  TYR   8          2HE       TYR   8 -10.980   4.588  -1.154
   59    HH   TYR   8           HH       TYR   8 -13.500   2.636  -1.667
   60    H    ASN   9           H        ASN   9  -6.911   2.157   1.851
   61    HA   ASN   9           HA       ASN   9  -7.594   4.752   2.633
   62    HB2  ASN   9          2HB       ASN   9  -7.071   2.273   3.751
   63    HB3  ASN   9          1HB       ASN   9  -5.839   3.307   4.462
   64   HD21  ASN   9          1HD2      ASN   9  -8.776   2.167   5.208
   65   HD22  ASN   9          2HD2      ASN   9  -9.442   3.495   6.024
   66    H    CYS  10           H        CYS  10  -4.402   3.374   1.966
   67    HA   CYS  10           HA       CYS  10  -2.912   5.594   3.040
   68    HB2  CYS  10          2HB       CYS  10  -2.244   3.133   2.656
   69    HB3  CYS  10          1HB       CYS  10  -1.985   3.601   0.978
   70    H    MET  11           H        MET  11  -2.979   4.463  -0.321
   71    HA   MET  11           HA       MET  11  -2.094   6.878  -1.505
   72    HB2  MET  11          2HB       MET  11  -3.674   4.494  -2.425
   73    HB3  MET  11          1HB       MET  11  -3.205   5.774  -3.540
   74    HG2  MET  11          2HG       MET  11  -1.151   4.491  -1.743
   75    HG3  MET  11          1HG       MET  11  -1.616   3.736  -3.265
   76    HE1  MET  11          1HE       MET  11  -0.371   7.473  -1.916
   77    HE2  MET  11          2HE       MET  11   1.235   7.000  -2.466
   78    HE3  MET  11          3HE       MET  11   0.333   5.937  -1.389
   79    H    ASN  12           H        ASN  12  -5.330   5.823  -0.574
   80    HA   ASN  12           HA       ASN  12  -7.130   7.265  -2.009
   81    HB2  ASN  12          2HB       ASN  12  -7.908   6.074  -0.134
   82    HB3  ASN  12          1HB       ASN  12  -6.794   6.890   0.962
   83   HD21  ASN  12          1HD2      ASN  12  -7.866   8.368   2.275
   84   HD22  ASN  12          2HD2      ASN  12  -9.227   9.273   1.822
   85    H    SER  13           H        SER  13  -4.707   8.708   0.115
   86    HA   SER  13           HA       SER  13  -4.655  11.209  -1.151
   87    HB2  SER  13          2HB       SER  13  -6.863  11.718  -0.608
   88    HB3  SER  13          1HB       SER  13  -6.802  10.814   0.901
   89    HG   SER  13           HG       SER  13  -6.778  13.156   1.109
   90    H    GLY  14           H        GLY  14  -2.440  11.046  -0.538
   91    HA2  GLY  14          2HA       GLY  14  -0.952  12.218   1.061
   92    HA3  GLY  14          1HA       GLY  14  -1.919  11.487   2.338
   93    H    GLY  15           H        GLY  15  -2.148   8.893   1.202
   94    HA2  GLY  15          2HA       GLY  15  -0.978   6.867   1.489
   95    HA3  GLY  15          1HA       GLY  15   0.084   7.585   0.276
   96    H    GLY  16           H        GLY  16  -0.285   9.071   3.416
   97    HA2  GLY  16          2HA       GLY  16   1.181   9.254   5.228
   98    HA3  GLY  16          1HA       GLY  16   1.948   7.772   4.660
   99    H    LEU  17           H        LEU  17   2.995   8.341   2.270
  100    HA   LEU  17           HA       LEU  17   4.312  10.952   2.223
  101    HB2  LEU  17          2HB       LEU  17   6.542  10.074   2.656
  102    HB3  LEU  17          1HB       LEU  17   5.471   9.707   4.009
  103    HG   LEU  17           HG       LEU  17   5.318   7.623   2.019
  104   HD11  LEU  17          1HD1      LEU  17   7.864   8.811   2.236
  105   HD12  LEU  17          2HD1      LEU  17   7.465   7.272   1.473
  106   HD13  LEU  17          3HD1      LEU  17   7.940   7.318   3.171
  107   HD21  LEU  17          1HD2      LEU  17   4.863   6.611   3.975
  108   HD22  LEU  17          2HD2      LEU  17   5.425   8.026   4.866
  109   HD23  LEU  17          3HD2      LEU  17   6.566   6.759   4.411
  110    H    SER  18           H        SER  18   3.900   7.729   0.852
  111    HA   SER  18           HA       SER  18   4.410   8.829  -1.836
  112    HB2  SER  18          2HB       SER  18   6.320   7.300  -0.264
  113    HB3  SER  18          1HB       SER  18   5.945   6.497  -1.781
  114    HG   SER  18           HG       SER  18   7.617   7.974  -2.094
  115    H    PHE  19           H        PHE  19   4.546   6.522  -3.251
  116    HA   PHE  19           HA       PHE  19   1.974   5.121  -2.592
  117    HB2  PHE  19          2HB       PHE  19   1.852   6.414  -4.622
  118    HB3  PHE  19          1HB       PHE  19   3.414   5.812  -5.166
  119    HD1  PHE  19          1HD       PHE  19   2.476   4.981  -7.285
  120    HD2  PHE  19          2HD       PHE  19   1.034   3.577  -3.491
  121    HE1  PHE  19          1HE       PHE  19   1.356   3.080  -8.415
  122    HE2  PHE  19          2HE       PHE  19  -0.087   1.675  -4.620
  123    HZ   PHE  19           HZ       PHE  19   0.073   1.427  -7.083
  124    H    ILE  20           H        ILE  20   4.955   4.563  -4.429
  125    HA   ILE  20           HA       ILE  20   4.985   1.773  -4.515
  126    HB   ILE  20           HB       ILE  20   7.500   3.215  -3.702
  127   HG12  ILE  20          2HG1      ILE  20   7.450   3.686  -6.384
  128   HG13  ILE  20          1HG1      ILE  20   5.749   3.933  -5.982
  129   HG21  ILE  20          1HG2      ILE  20   7.672   1.738  -6.141
  130   HG22  ILE  20          2HG2      ILE  20   6.786   0.760  -4.970
  131   HG23  ILE  20          3HG2      ILE  20   8.399   1.358  -4.579
  132   HD11  ILE  20          1HD1      ILE  20   6.357   6.005  -5.306
  133   HD12  ILE  20          2HD1      ILE  20   8.071   5.589  -5.321
  134   HD13  ILE  20          3HD1      ILE  20   7.083   5.210  -3.909
  135    H    GLN  21           H        GLN  21   5.535   3.902  -1.788
  136    HA   GLN  21           HA       GLN  21   6.668   2.025   0.042
  137    HB2  GLN  21          2HB       GLN  21   4.996   4.533   0.236
  138    HB3  GLN  21          1HB       GLN  21   5.476   3.663   1.693
  139    HG2  GLN  21          2HG       GLN  21   7.534   4.368  -0.385
  140    HG3  GLN  21          1HG       GLN  21   7.023   5.572   0.800
  141   HE21  GLN  21          1HE2      GLN  21   9.506   3.554   0.360
  142   HE22  GLN  21          2HE2      GLN  21   9.805   3.048   1.951
  143    H    CYS  22           H        CYS  22   3.317   3.247   0.219
  144    HA   CYS  22           HA       CYS  22   2.299   0.979   1.636
  145    HB2  CYS  22          2HB       CYS  22   1.286   3.384   0.206
  146    HB3  CYS  22          1HB       CYS  22   0.122   2.076   0.434
  147    H    LYS  23           H        LYS  23   2.657   1.703  -1.809
  148    HA   LYS  23           HA       LYS  23   0.935  -0.122  -3.023
  149    HB2  LYS  23          2HB       LYS  23   2.393   1.398  -4.237
  150    HB3  LYS  23          1HB       LYS  23   3.828   0.575  -3.623
  151    HG2  LYS  23          2HG       LYS  23   3.255  -0.103  -5.960
  152    HG3  LYS  23          1HG       LYS  23   3.228  -1.457  -4.830
  153    HD2  LYS  23          2HD       LYS  23   0.915  -1.628  -4.870
  154    HD3  LYS  23          1HD       LYS  23   0.692   0.069  -5.291
  155    HE2  LYS  23          2HE       LYS  23   1.438  -0.338  -7.574
  156    HE3  LYS  23          1HE       LYS  23   1.847  -2.019  -7.175
  157    HZ1  LYS  23          1HZ       LYS  23  -0.586  -2.052  -6.299
  158    HZ2  LYS  23          2HZ       LYS  23  -0.286  -2.258  -7.959
  159    HZ3  LYS  23          3HZ       LYS  23  -0.801  -0.750  -7.366
  160    H    THR  24           H        THR  24   3.727  -0.809  -1.029
  161    HA   THR  24           HA       THR  24   3.124  -3.706  -1.219
  162    HB   THR  24           HB       THR  24   5.767  -3.882  -1.499
  163    HG1  THR  24          1HG       THR  24   6.465  -1.899  -1.704
  164   HG21  THR  24          1HG2      THR  24   3.874  -3.220  -3.770
  165   HG22  THR  24          2HG2      THR  24   4.087  -4.813  -3.044
  166   HG23  THR  24          3HG2      THR  24   5.414  -4.064  -3.932
  167    H    MET  25           H        MET  25   4.910  -1.071   0.352
  168    HA   MET  25           HA       MET  25   6.125  -2.526   2.436
  169    HB2  MET  25          2HB       MET  25   6.509  -0.409   3.365
  170    HB3  MET  25          1HB       MET  25   6.239  -0.021   1.668
  171    HG2  MET  25          2HG       MET  25   4.795   1.500   2.638
  172    HG3  MET  25          1HG       MET  25   3.704   0.127   2.485
  173    HE1  MET  25          1HE       MET  25   5.343   2.605   4.293
  174    HE2  MET  25          2HE       MET  25   5.125   2.352   6.023
  175    HE3  MET  25          3HE       MET  25   3.733   2.745   5.015
  176    H    CYS  26           H        CYS  26   2.798  -1.427   2.055
  177    HA   CYS  26           HA       CYS  26   2.085  -2.207   4.817
  178    HB2  CYS  26          2HB       CYS  26   1.164  -0.204   3.622
  179    HB3  CYS  26          1HB       CYS  26   0.392  -1.292   2.468
  180    H    TYR  27           H        TYR  27   2.111  -4.427   5.049
  181    HA   TYR  27           HA       TYR  27   1.016  -6.167   2.916
  182    HB2  TYR  27          2HB       TYR  27   3.165  -6.443   4.378
  183    HB3  TYR  27          1HB       TYR  27   2.044  -7.005   5.623
  184    HD1  TYR  27          1HD       TYR  27   1.858  -9.318   5.747
  185    HD2  TYR  27          2HD       TYR  27   2.419  -7.473   1.909
  186    HE1  TYR  27          1HE       TYR  27   1.773 -11.548   4.663
  187    HE2  TYR  27          2HE       TYR  27   2.334  -9.701   0.825
  188    HH   TYR  27           HH       TYR  27   1.728 -11.884   1.158
  Start of MODEL    9
    1    H1   GLY   1          1HT       GLY   1  -8.389  -9.267   2.978
    2    H2   GLY   1          2HT       GLY   1  -7.496  -9.016   4.402
    3    H3   GLY   1          3HT       GLY   1  -7.565 -10.562   3.699
    4    HA2  GLY   1          2HA       GLY   1  -5.657 -10.072   2.698
    5    HA3  GLY   1          1HA       GLY   1  -6.624  -9.009   1.675
    6    H    GLY   2           H        GLY   2  -4.729  -7.592   1.557
    7    HA2  GLY   2          2HA       GLY   2  -4.669  -5.708   3.844
    8    HA3  GLY   2          1HA       GLY   2  -3.133  -6.402   3.325
    9    H    LEU   3           H        LEU   3  -2.692  -6.154   0.894
   10    HA   LEU   3           HA       LEU   3  -2.417  -3.529   0.089
   11    HB2  LEU   3          2HB       LEU   3  -2.970  -6.050  -1.495
   12    HB3  LEU   3          1HB       LEU   3  -2.472  -4.540  -2.257
   13    HG   LEU   3           HG       LEU   3  -0.790  -5.215   0.030
   14   HD11  LEU   3          1HD1      LEU   3   0.381  -7.071  -1.325
   15   HD12  LEU   3          2HD1      LEU   3  -1.134  -7.202  -2.219
   16   HD13  LEU   3          3HD1      LEU   3  -1.104  -7.510  -0.482
   17   HD21  LEU   3          1HD2      LEU   3   0.940  -4.993  -1.888
   18   HD22  LEU   3          2HD2      LEU   3  -0.020  -3.569  -1.487
   19   HD23  LEU   3          3HD2      LEU   3  -0.438  -4.546  -2.894
   20    H    GLY   4           H        GLY   4  -5.330  -5.496  -0.105
   21    HA2  GLY   4          2HA       GLY   4  -6.871  -4.043  -1.920
   22    HA3  GLY   4          1HA       GLY   4  -7.549  -4.888  -0.529
   23    H    ARG   5           H        ARG   5  -6.156  -3.292   1.463
   24    HA   ARG   5           HA       ARG   5  -7.677  -0.730   1.131
   25    HB2  ARG   5          2HB       ARG   5  -8.290  -2.546   2.881
   26    HB3  ARG   5          1HB       ARG   5  -6.846  -2.005   3.736
   27    HG2  ARG   5          2HG       ARG   5  -8.691  -0.747   4.629
   28    HG3  ARG   5          1HG       ARG   5  -7.772   0.354   3.599
   29    HD2  ARG   5          2HD       ARG   5  -9.423  -0.428   1.715
   30    HD3  ARG   5          1HD       ARG   5 -10.450  -0.921   3.076
   31    HE   ARG   5           HE       ARG   5 -10.389   1.409   3.880
   32   HH11  ARG   5          1HH1      ARG   5  -7.856   2.245   2.485
   33   HH12  ARG   5          2HH1      ARG   5  -8.463   3.238   1.205
   34   HH21  ARG   5          1HH2      ARG   5 -11.710   2.067   1.478
   35   HH22  ARG   5          2HH2      ARG   5 -10.640   3.142   0.641
   36    H    CYS   6           H        CYS   6  -4.609  -2.172   2.124
   37    HA   CYS   6           HA       CYS   6  -3.252  -0.121   3.390
   38    HB2  CYS   6          2HB       CYS   6  -2.559  -2.196   1.355
   39    HB3  CYS   6          1HB       CYS   6  -1.331  -0.992   1.738
   40    H    ILE   7           H        ILE   7  -2.426  -0.454  -0.014
   41    HA   ILE   7           HA       ILE   7  -1.694   2.142  -0.560
   42    HB   ILE   7           HB       ILE   7  -3.160   0.092  -2.227
   43   HG12  ILE   7          2HG1      ILE   7  -0.615   0.204  -3.107
   44   HG13  ILE   7          1HG1      ILE   7  -0.401   0.621  -1.415
   45   HG21  ILE   7          1HG2      ILE   7  -2.875   2.745  -2.926
   46   HG22  ILE   7          2HG2      ILE   7  -3.032   1.411  -4.068
   47   HG23  ILE   7          3HG2      ILE   7  -1.433   2.005  -3.623
   48   HD11  ILE   7          1HD1      ILE   7  -0.904  -1.481  -0.715
   49   HD12  ILE   7          2HD1      ILE   7  -0.578  -1.946  -2.385
   50   HD13  ILE   7          3HD1      ILE   7  -2.235  -1.633  -1.864
   51    H    TYR   8           H        TYR   8  -4.996   0.810  -0.812
   52    HA   TYR   8           HA       TYR   8  -6.432   2.978  -1.780
   53    HB2  TYR   8          2HB       TYR   8  -7.126   0.625  -0.952
   54    HB3  TYR   8          1HB       TYR   8  -7.303   1.384   0.626
   55    HD1  TYR   8          1HD       TYR   8  -9.613   0.147  -0.720
   56    HD2  TYR   8          2HD       TYR   8  -8.031   4.127  -1.051
   57    HE1  TYR   8          1HE       TYR   8 -11.849   0.979  -1.404
   58    HE2  TYR   8          2HE       TYR   8 -10.266   4.959  -1.732
   59    HH   TYR   8           HH       TYR   8 -12.413   3.686  -2.930
   60    H    ASN   9           H        ASN   9  -6.167   2.377   1.714
   61    HA   ASN   9           HA       ASN   9  -6.938   4.994   2.480
   62    HB2  ASN   9          2HB       ASN   9  -6.431   2.511   3.624
   63    HB3  ASN   9          1HB       ASN   9  -5.238   3.572   4.362
   64   HD21  ASN   9          1HD2      ASN   9  -8.528   2.626   4.472
   65   HD22  ASN   9          2HD2      ASN   9  -9.091   3.861   5.492
   66    H    CYS  10           H        CYS  10  -3.710   3.583   1.964
   67    HA   CYS  10           HA       CYS  10  -2.291   5.840   3.035
   68    HB2  CYS  10          2HB       CYS  10  -1.692   3.294   2.592
   69    HB3  CYS  10          1HB       CYS  10  -1.115   3.945   1.060
   70    H    MET  11           H        MET  11  -2.717   4.669  -0.283
   71    HA   MET  11           HA       MET  11  -1.540   7.003  -1.481
   72    HB2  MET  11          2HB       MET  11  -3.345   4.902  -2.660
   73    HB3  MET  11          1HB       MET  11  -2.124   5.853  -3.505
   74    HG2  MET  11          2HG       MET  11  -1.708   3.678  -1.456
   75    HG3  MET  11          1HG       MET  11  -1.077   3.755  -3.092
   76    HE1  MET  11          1HE       MET  11   1.326   6.513  -3.188
   77    HE2  MET  11          2HE       MET  11  -0.049   7.351  -2.477
   78    HE3  MET  11          3HE       MET  11  -0.315   6.129  -3.717
   79    H    ASN  12           H        ASN  12  -4.922   5.820  -1.457
   80    HA   ASN  12           HA       ASN  12  -6.107   8.036  -2.751
   81    HB2  ASN  12          2HB       ASN  12  -7.080   5.763  -2.052
   82    HB3  ASN  12          1HB       ASN  12  -7.344   6.490  -0.466
   83   HD21  ASN  12          1HD2      ASN  12  -8.437   8.841  -0.718
   84   HD22  ASN  12          2HD2      ASN  12  -9.761   8.888  -1.779
   85    H    SER  13           H        SER  13  -5.192   7.620   0.638
   86    HA   SER  13           HA       SER  13  -4.876  10.351   1.212
   87    HB2  SER  13          2HB       SER  13  -7.586   9.561   0.865
   88    HB3  SER  13          1HB       SER  13  -7.361   9.878   2.583
   89    HG   SER  13           HG       SER  13  -6.344  11.641   0.633
   90    H    GLY  14           H        GLY  14  -3.179   9.211   2.411
   91    HA2  GLY  14          2HA       GLY  14  -3.655   8.922   5.164
   92    HA3  GLY  14          1HA       GLY  14  -3.678   7.310   4.447
   93    H    GLY  15           H        GLY  15  -1.750   7.945   2.371
   94    HA2  GLY  15          2HA       GLY  15   0.705   7.977   4.070
   95    HA3  GLY  15          1HA       GLY  15   0.589   7.210   2.481
   96    H    GLY  16           H        GLY  16  -0.044   8.852   0.674
   97    HA2  GLY  16          2HA       GLY  16   0.353  10.852  -0.478
   98    HA3  GLY  16          1HA       GLY  16   0.696  11.605   1.077
   99    H    LEU  17           H        LEU  17   2.850  10.264   2.035
  100    HA   LEU  17           HA       LEU  17   5.105  11.332   0.961
  101    HB2  LEU  17          2HB       LEU  17   6.242   9.204   1.826
  102    HB3  LEU  17          1HB       LEU  17   5.252  10.115   2.964
  103    HG   LEU  17           HG       LEU  17   3.441   8.388   1.733
  104   HD11  LEU  17          1HD1      LEU  17   4.406   6.283   1.550
  105   HD12  LEU  17          2HD1      LEU  17   5.759   6.702   2.602
  106   HD13  LEU  17          3HD1      LEU  17   5.708   7.308   0.947
  107   HD21  LEU  17          1HD2      LEU  17   3.408   8.986   4.073
  108   HD22  LEU  17          2HD2      LEU  17   4.974   8.218   4.338
  109   HD23  LEU  17          3HD2      LEU  17   3.558   7.232   3.966
  110    H    SER  18           H        SER  18   3.973   8.077  -0.004
  111    HA   SER  18           HA       SER  18   4.847   8.565  -2.774
  112    HB2  SER  18          2HB       SER  18   6.486   7.313  -0.751
  113    HB3  SER  18          1HB       SER  18   6.144   6.177  -2.047
  114    HG   SER  18           HG       SER  18   6.701   8.127  -3.425
  115    H    PHE  19           H        PHE  19   4.933   6.020  -3.681
  116    HA   PHE  19           HA       PHE  19   2.227   4.890  -3.029
  117    HB2  PHE  19          2HB       PHE  19   2.172   5.791  -5.219
  118    HB3  PHE  19          1HB       PHE  19   3.830   5.303  -5.554
  119    HD1  PHE  19          1HD       PHE  19   0.530   3.752  -4.624
  120    HD2  PHE  19          2HD       PHE  19   4.169   3.440  -6.884
  121    HE1  PHE  19          1HE       PHE  19  -0.284   1.646  -5.649
  122    HE2  PHE  19          2HE       PHE  19   3.356   1.336  -7.909
  123    HZ   PHE  19           HZ       PHE  19   1.127   0.439  -7.293
  124    H    ILE  20           H        ILE  20   5.206   3.893  -4.674
  125    HA   ILE  20           HA       ILE  20   5.117   1.146  -4.255
  126    HB   ILE  20           HB       ILE  20   7.674   1.411  -4.133
  127   HG12  ILE  20          2HG1      ILE  20   7.000   4.331  -4.559
  128   HG13  ILE  20          1HG1      ILE  20   7.450   3.681  -2.982
  129   HG21  ILE  20          1HG2      ILE  20   7.678   1.603  -6.403
  130   HG22  ILE  20          2HG2      ILE  20   6.808   3.137  -6.368
  131   HG23  ILE  20          3HG2      ILE  20   5.923   1.618  -6.224
  132   HD11  ILE  20          1HD1      ILE  20   9.233   2.923  -5.219
  133   HD12  ILE  20          2HD1      ILE  20   9.637   3.407  -3.572
  134   HD13  ILE  20          3HD1      ILE  20   9.252   4.631  -4.783
  135    H    GLN  21           H        GLN  21   5.700   3.697  -1.923
  136    HA   GLN  21           HA       GLN  21   6.795   2.127   0.218
  137    HB2  GLN  21          2HB       GLN  21   5.148   4.669   0.045
  138    HB3  GLN  21          1HB       GLN  21   5.805   4.069   1.568
  139    HG2  GLN  21          2HG       GLN  21   7.469   4.648  -0.898
  140    HG3  GLN  21          1HG       GLN  21   7.288   5.755   0.464
  141   HE21  GLN  21          1HE2      GLN  21   9.077   3.059  -0.708
  142   HE22  GLN  21          2HE2      GLN  21   9.907   2.702   0.727
  143    H    CYS  22           H        CYS  22   3.447   3.418  -0.022
  144    HA   CYS  22           HA       CYS  22   2.391   1.485   1.848
  145    HB2  CYS  22          2HB       CYS  22   0.952   3.098  -0.288
  146    HB3  CYS  22          1HB       CYS  22   0.266   2.484   1.217
  147    H    LYS  23           H        LYS  23   2.790   1.610  -1.658
  148    HA   LYS  23           HA       LYS  23   1.074  -0.648  -2.261
  149    HB2  LYS  23          2HB       LYS  23   1.675   1.139  -3.838
  150    HB3  LYS  23          1HB       LYS  23   3.373   0.675  -3.729
  151    HG2  LYS  23          2HG       LYS  23   1.965  -1.693  -4.338
  152    HG3  LYS  23          1HG       LYS  23   1.296  -0.447  -5.390
  153    HD2  LYS  23          2HD       LYS  23   3.836   0.196  -5.721
  154    HD3  LYS  23          1HD       LYS  23   4.104  -1.474  -5.219
  155    HE2  LYS  23          2HE       LYS  23   2.207  -1.990  -7.000
  156    HE3  LYS  23          1HE       LYS  23   2.735  -0.440  -7.683
  157    HZ1  LYS  23          1HZ       LYS  23   4.251  -1.861  -8.627
  158    HZ2  LYS  23          2HZ       LYS  23   4.270  -2.918  -7.297
  159    HZ3  LYS  23          3HZ       LYS  23   5.086  -1.429  -7.216
  160    H    THR  24           H        THR  24   3.929  -0.544  -0.540
  161    HA   THR  24           HA       THR  24   4.516  -3.391  -1.208
  162    HB   THR  24           HB       THR  24   6.591  -1.196  -0.962
  163    HG1  THR  24          1HG       THR  24   6.704  -1.927  -3.335
  164   HG21  THR  24          1HG2      THR  24   7.228  -3.584  -0.392
  165   HG22  THR  24          2HG2      THR  24   8.152  -2.858  -1.707
  166   HG23  THR  24          3HG2      THR  24   6.857  -3.999  -2.064
  167    H    MET  25           H        MET  25   5.076  -0.656   0.997
  168    HA   MET  25           HA       MET  25   6.196  -2.225   3.119
  169    HB2  MET  25          2HB       MET  25   4.869   0.491   3.000
  170    HB3  MET  25          1HB       MET  25   5.733  -0.118   4.411
  171    HG2  MET  25          2HG       MET  25   7.217  -0.322   1.862
  172    HG3  MET  25          1HG       MET  25   6.912   1.324   2.416
  173    HE1  MET  25          1HE       MET  25   7.884   2.477   3.832
  174    HE2  MET  25          2HE       MET  25   9.526   2.090   3.326
  175    HE3  MET  25          3HE       MET  25   9.119   2.096   5.039
  176    H    CYS  26           H        CYS  26   3.026  -0.603   2.901
  177    HA   CYS  26           HA       CYS  26   1.877  -1.929   5.163
  178    HB2  CYS  26          2HB       CYS  26   1.144   0.199   4.016
  179    HB3  CYS  26          1HB       CYS  26   0.496  -0.795   2.712
  180    H    TYR  27           H        TYR  27   1.495  -4.104   5.280
  181    HA   TYR  27           HA       TYR  27   1.392  -5.850   2.985
  182    HB2  TYR  27          2HB       TYR  27   2.139  -6.720   5.065
  183    HB3  TYR  27          1HB       TYR  27   0.750  -6.057   5.931
  184    HD1  TYR  27          1HD       TYR  27  -1.043  -7.464   6.419
  185    HD2  TYR  27          2HD       TYR  27   1.533  -8.418   3.117
  186    HE1  TYR  27          1HE       TYR  27  -2.281  -9.584   6.066
  187    HE2  TYR  27          2HE       TYR  27   0.295 -10.538   2.764
  188    HH   TYR  27           HH       TYR  27  -2.031 -11.710   5.054
  Start of MODEL   10
    1    H1   GLY   1          1HT       GLY   1  -6.259  -6.957   2.638
    2    H2   GLY   1          2HT       GLY   1  -7.621  -7.880   3.063
    3    H3   GLY   1          3HT       GLY   1  -6.081  -8.598   3.031
    4    HA2  GLY   1          2HA       GLY   1  -7.364  -7.128   5.123
    5    HA3  GLY   1          1HA       GLY   1  -5.959  -8.194   5.199
    6    H    GLY   2           H        GLY   2  -4.129  -6.987   3.589
    7    HA2  GLY   2          2HA       GLY   2  -3.675  -4.403   5.005
    8    HA3  GLY   2          1HA       GLY   2  -2.407  -5.403   4.295
    9    H    LEU   3           H        LEU   3  -2.267  -5.478   1.937
   10    HA   LEU   3           HA       LEU   3  -2.230  -3.072   0.584
   11    HB2  LEU   3          2HB       LEU   3  -3.062  -5.738  -0.601
   12    HB3  LEU   3          1HB       LEU   3  -2.221  -4.431  -1.434
   13    HG   LEU   3           HG       LEU   3  -0.718  -5.034   0.904
   14   HD11  LEU   3          1HD1      LEU   3  -0.594  -7.528  -0.602
   15   HD12  LEU   3          2HD1      LEU   3  -2.176  -7.293   0.141
   16   HD13  LEU   3          3HD1      LEU   3  -0.723  -7.280   1.139
   17   HD21  LEU   3          1HD2      LEU   3   0.080  -6.034  -1.801
   18   HD22  LEU   3          2HD2      LEU   3   1.022  -5.123  -0.620
   19   HD23  LEU   3          3HD2      LEU   3  -0.186  -4.302  -1.607
   20    H    GLY   4           H        GLY   4  -5.020  -5.221   0.975
   21    HA2  GLY   4          2HA       GLY   4  -6.843  -4.101  -0.794
   22    HA3  GLY   4          1HA       GLY   4  -7.311  -4.756   0.776
   23    H    ARG   5           H        ARG   5  -5.589  -2.718   2.172
   24    HA   ARG   5           HA       ARG   5  -7.342  -0.326   1.710
   25    HB2  ARG   5          2HB       ARG   5  -7.601  -1.966   3.777
   26    HB3  ARG   5          1HB       ARG   5  -6.232  -1.045   4.400
   27    HG2  ARG   5          2HG       ARG   5  -8.236   0.048   5.173
   28    HG3  ARG   5          1HG       ARG   5  -7.540   1.062   3.907
   29    HD2  ARG   5          2HD       ARG   5  -9.110  -0.398   2.331
   30    HD3  ARG   5          1HD       ARG   5 -10.028  -0.608   3.835
   31    HE   ARG   5           HE       ARG   5 -10.247   1.826   3.981
   32   HH11  ARG   5          1HH1      ARG   5 -11.434   1.452   1.344
   33   HH12  ARG   5          2HH1      ARG   5 -10.515   2.515   0.333
   34   HH21  ARG   5          1HH2      ARG   5  -7.897   2.823   2.571
   35   HH22  ARG   5          2HH2      ARG   5  -8.514   3.285   1.021
   36    H    CYS   6           H        CYS   6  -4.128  -1.543   2.488
   37    HA   CYS   6           HA       CYS   6  -2.770   0.734   3.352
   38    HB2  CYS   6          2HB       CYS   6  -1.976  -1.407   1.355
   39    HB3  CYS   6          1HB       CYS   6  -0.833  -0.319   2.141
   40    H    ILE   7           H        ILE   7  -2.074  -0.109   0.014
   41    HA   ILE   7           HA       ILE   7  -1.593   2.422  -0.981
   42    HB   ILE   7           HB       ILE   7  -2.893  -0.007  -2.222
   43   HG12  ILE   7          2HG1      ILE   7  -0.398   0.212  -3.210
   44   HG13  ILE   7          1HG1      ILE   7  -0.190   0.937  -1.624
   45   HG21  ILE   7          1HG2      ILE   7  -2.812   2.563  -3.335
   46   HG22  ILE   7          2HG2      ILE   7  -3.057   1.053  -4.214
   47   HG23  ILE   7          3HG2      ILE   7  -1.434   1.722  -4.045
   48   HD11  ILE   7          1HD1      ILE   7  -0.453  -1.055  -0.555
   49   HD12  ILE   7          2HD1      ILE   7  -0.105  -1.765  -2.132
   50   HD13  ILE   7          3HD1      ILE   7  -1.776  -1.541  -1.615
   51    H    TYR   8           H        TYR   8  -4.771   0.806  -0.739
   52    HA   TYR   8           HA       TYR   8  -6.434   2.651  -1.998
   53    HB2  TYR   8          2HB       TYR   8  -6.852   0.476  -0.556
   54    HB3  TYR   8          1HB       TYR   8  -7.131   1.638   0.740
   55    HD1  TYR   8          1HD       TYR   8  -9.193  -0.252  -0.585
   56    HD2  TYR   8          2HD       TYR   8  -8.124   3.851  -1.264
   57    HE1  TYR   8          1HE       TYR   8 -11.460   0.185  -1.501
   58    HE2  TYR   8          2HE       TYR   8 -10.389   4.291  -2.178
   59    HH   TYR   8           HH       TYR   8 -12.736   3.201  -1.877
   60    H    ASN   9           H        ASN   9  -5.946   2.791   1.523
   61    HA   ASN   9           HA       ASN   9  -6.653   5.554   1.713
   62    HB2  ASN   9          2HB       ASN   9  -6.336   3.356   3.356
   63    HB3  ASN   9          1HB       ASN   9  -5.002   4.393   3.833
   64   HD21  ASN   9          1HD2      ASN   9  -8.551   4.474   3.306
   65   HD22  ASN   9          2HD2      ASN   9  -8.846   5.692   4.447
   66    H    CYS  10           H        CYS  10  -3.570   3.819   1.568
   67    HA   CYS  10           HA       CYS  10  -1.828   5.962   2.191
   68    HB2  CYS  10          2HB       CYS  10  -1.513   3.383   1.923
   69    HB3  CYS  10          1HB       CYS  10  -1.202   3.771   0.234
   70    H    MET  11           H        MET  11  -3.025   4.794  -0.933
   71    HA   MET  11           HA       MET  11  -1.668   6.983  -2.359
   72    HB2  MET  11          2HB       MET  11  -3.317   4.585  -3.131
   73    HB3  MET  11          1HB       MET  11  -2.643   5.712  -4.309
   74    HG2  MET  11          2HG       MET  11  -0.921   4.417  -2.190
   75    HG3  MET  11          1HG       MET  11  -1.214   3.652  -3.749
   76    HE1  MET  11          1HE       MET  11   0.148   6.969  -1.985
   77    HE2  MET  11          2HE       MET  11   1.750   6.785  -2.692
   78    HE3  MET  11          3HE       MET  11   1.033   5.448  -1.798
   79    H    ASN  12           H        ASN  12  -5.030   5.860  -1.876
   80    HA   ASN  12           HA       ASN  12  -6.479   7.643  -3.411
   81    HB2  ASN  12          2HB       ASN  12  -7.468   5.933  -1.976
   82    HB3  ASN  12          1HB       ASN  12  -6.948   6.806  -0.534
   83   HD21  ASN  12          1HD2      ASN  12  -8.785   7.571  -3.558
   84   HD22  ASN  12          2HD2      ASN  12  -9.983   8.478  -2.768
   85    H    SER  13           H        SER  13  -6.225   8.443   0.029
   86    HA   SER  13           HA       SER  13  -4.805  10.864  -0.120
   87    HB2  SER  13          2HB       SER  13  -7.401  10.886  -1.378
   88    HB3  SER  13          1HB       SER  13  -7.394  12.009  -0.021
   89    HG   SER  13           HG       SER  13  -6.205  13.275  -1.187
   90    H    GLY  14           H        GLY  14  -4.259  10.321   2.038
   91    HA2  GLY  14          2HA       GLY  14  -5.862  11.332   4.115
   92    HA3  GLY  14          1HA       GLY  14  -6.096   9.587   4.057
   93    H    GLY  15           H        GLY  15  -3.615   8.657   3.421
   94    HA2  GLY  15          2HA       GLY  15  -1.553   9.898   5.070
   95    HA3  GLY  15          1HA       GLY  15  -2.227   8.428   5.780
   96    H    GLY  16           H        GLY  16  -0.269   9.699   3.184
   97    HA2  GLY  16          2HA       GLY  16   0.972   7.116   2.819
   98    HA3  GLY  16          1HA       GLY  16   0.039   7.634   1.414
   99    H    LEU  17           H        LEU  17   2.841   8.330   3.407
  100    HA   LEU  17           HA       LEU  17   3.702  10.759   2.258
  101    HB2  LEU  17          2HB       LEU  17   5.976   9.853   2.971
  102    HB3  LEU  17          1HB       LEU  17   4.729   9.913   4.218
  103    HG   LEU  17           HG       LEU  17   4.402   7.432   2.917
  104   HD11  LEU  17          1HD1      LEU  17   6.438   6.677   2.350
  105   HD12  LEU  17          2HD1      LEU  17   7.117   7.196   3.894
  106   HD13  LEU  17          3HD1      LEU  17   7.030   8.327   2.542
  107   HD21  LEU  17          1HD2      LEU  17   4.536   6.646   5.082
  108   HD22  LEU  17          2HD2      LEU  17   4.310   8.363   5.420
  109   HD23  LEU  17          3HD2      LEU  17   5.927   7.660   5.473
  110    H    SER  18           H        SER  18   4.094   7.438   1.090
  111    HA   SER  18           HA       SER  18   5.052   8.555  -1.510
  112    HB2  SER  18          2HB       SER  18   6.381   6.751   0.415
  113    HB3  SER  18          1HB       SER  18   6.471   6.248  -1.265
  114    HG   SER  18           HG       SER  18   8.172   7.616  -0.916
  115    H    PHE  19           H        PHE  19   5.310   6.337  -2.958
  116    HA   PHE  19           HA       PHE  19   2.678   4.913  -2.737
  117    HB2  PHE  19          2HB       PHE  19   2.854   6.557  -4.594
  118    HB3  PHE  19          1HB       PHE  19   4.290   5.721  -5.179
  119    HD1  PHE  19          1HD       PHE  19   2.615   5.766  -7.277
  120    HD2  PHE  19          2HD       PHE  19   2.137   3.304  -3.787
  121    HE1  PHE  19          1HE       PHE  19   1.180   4.210  -8.568
  122    HE2  PHE  19          2HE       PHE  19   0.703   1.751  -5.080
  123    HZ   PHE  19           HZ       PHE  19   0.224   2.203  -7.470
  124    H    ILE  20           H        ILE  20   5.811   4.599  -4.393
  125    HA   ILE  20           HA       ILE  20   5.920   1.851  -4.803
  126    HB   ILE  20           HB       ILE  20   8.302   3.192  -3.539
  127   HG12  ILE  20          2HG1      ILE  20   8.545   4.014  -6.119
  128   HG13  ILE  20          1HG1      ILE  20   6.802   4.183  -5.899
  129   HG21  ILE  20          1HG2      ILE  20   9.485   2.026  -5.343
  130   HG22  ILE  20          2HG2      ILE  20   7.947   1.511  -6.036
  131   HG23  ILE  20          3HG2      ILE  20   8.452   0.900  -4.462
  132   HD11  ILE  20          1HD1      ILE  20   7.638   6.258  -5.154
  133   HD12  ILE  20          2HD1      ILE  20   9.031   5.514  -4.367
  134   HD13  ILE  20          3HD1      ILE  20   7.424   5.348  -3.658
  135    H    GLN  21           H        GLN  21   6.189   3.624  -1.793
  136    HA   GLN  21           HA       GLN  21   7.094   1.507  -0.099
  137    HB2  GLN  21          2HB       GLN  21   5.337   3.951   0.289
  138    HB3  GLN  21          1HB       GLN  21   5.880   2.951   1.635
  139    HG2  GLN  21          2HG       GLN  21   7.728   4.288  -0.361
  140    HG3  GLN  21          1HG       GLN  21   7.362   4.922   1.243
  141   HE21  GLN  21          1HE2      GLN  21   9.361   2.707  -0.502
  142   HE22  GLN  21          2HE2      GLN  21  10.096   1.977   0.842
  143    H    CYS  22           H        CYS  22   3.814   2.792   0.164
  144    HA   CYS  22           HA       CYS  22   2.557   0.434   1.036
  145    HB2  CYS  22          2HB       CYS  22   1.626   2.879  -0.491
  146    HB3  CYS  22          1HB       CYS  22   0.496   1.654   0.094
  147    H    LYS  23           H        LYS  23   3.441   1.459  -2.234
  148    HA   LYS  23           HA       LYS  23   1.827   0.087  -3.965
  149    HB2  LYS  23          2HB       LYS  23   4.359   1.158  -4.018
  150    HB3  LYS  23          1HB       LYS  23   4.696  -0.544  -4.316
  151    HG2  LYS  23          2HG       LYS  23   3.018   1.354  -5.945
  152    HG3  LYS  23          1HG       LYS  23   4.340   0.320  -6.475
  153    HD2  LYS  23          2HD       LYS  23   2.831  -1.657  -5.787
  154    HD3  LYS  23          1HD       LYS  23   1.520  -0.477  -5.753
  155    HE2  LYS  23          2HE       LYS  23   1.314  -0.916  -7.984
  156    HE3  LYS  23          1HE       LYS  23   2.786   0.058  -8.174
  157    HZ1  LYS  23          1HZ       LYS  23   4.131  -1.875  -7.885
  158    HZ2  LYS  23          2HZ       LYS  23   2.984  -2.230  -9.087
  159    HZ3  LYS  23          3HZ       LYS  23   2.785  -2.837  -7.512
  160    H    THR  24           H        THR  24   4.556  -1.476  -2.258
  161    HA   THR  24           HA       THR  24   3.011  -4.031  -2.279
  162    HB   THR  24           HB       THR  24   4.446  -4.014  -4.249
  163    HG1  THR  24          1HG       THR  24   5.341  -5.578  -2.075
  164   HG21  THR  24          1HG2      THR  24   6.629  -3.327  -2.267
  165   HG22  THR  24          2HG2      THR  24   6.045  -2.321  -3.593
  166   HG23  THR  24          3HG2      THR  24   6.928  -3.809  -3.937
  167    H    MET  25           H        MET  25   4.796  -1.818  -0.463
  168    HA   MET  25           HA       MET  25   6.301  -3.602   1.197
  169    HB2  MET  25          2HB       MET  25   6.805  -1.648   2.394
  170    HB3  MET  25          1HB       MET  25   6.422  -1.017   0.795
  171    HG2  MET  25          2HG       MET  25   4.176  -0.429   1.501
  172    HG3  MET  25          1HG       MET  25   4.411  -1.233   3.047
  173    HE1  MET  25          1HE       MET  25   3.874   2.500   3.146
  174    HE2  MET  25          2HE       MET  25   4.129   1.653   4.669
  175    HE3  MET  25          3HE       MET  25   3.235   0.866   3.370
  176    H    CYS  26           H        CYS  26   3.103  -2.084   1.495
  177    HA   CYS  26           HA       CYS  26   2.279  -2.874   4.024
  178    HB2  CYS  26          2HB       CYS  26   0.844  -1.605   2.598
  179    HB3  CYS  26          1HB       CYS  26   0.884  -2.838   1.339
  180    H    TYR  27           H        TYR  27   1.664  -4.827   4.991
  181    HA   TYR  27           HA       TYR  27   2.019  -7.300   3.329
  182    HB2  TYR  27          2HB       TYR  27   3.589  -6.644   5.297
  183    HB3  TYR  27          1HB       TYR  27   2.234  -7.102   6.334
  184    HD1  TYR  27          1HD       TYR  27   4.265  -8.380   3.453
  185    HD2  TYR  27          2HD       TYR  27   1.954  -9.345   6.943
  186    HE1  TYR  27          1HE       TYR  27   4.876 -10.770   3.197
  187    HE2  TYR  27          2HE       TYR  27   2.566 -11.735   6.689
  188    HH   TYR  27           HH       TYR  27   5.010 -12.779   4.474
  Start of MODEL   11
    1    H1   GLY   1          1HT       GLY   1  -3.236 -10.959   1.971
    2    H2   GLY   1          2HT       GLY   1  -3.058  -9.341   1.482
    3    H3   GLY   1          3HT       GLY   1  -4.138 -10.365   0.663
    4    HA2  GLY   1          2HA       GLY   1  -5.691  -9.430   1.954
    5    HA3  GLY   1          1HA       GLY   1  -5.074 -10.558   3.163
    6    H    GLY   2           H        GLY   2  -4.227  -7.348   1.810
    7    HA2  GLY   2          2HA       GLY   2  -4.495  -5.758   4.023
    8    HA3  GLY   2          1HA       GLY   2  -2.957  -6.566   4.331
    9    H    LEU   3           H        LEU   3  -4.238  -5.585   1.173
   10    HA   LEU   3           HA       LEU   3  -2.127  -3.476   1.008
   11    HB2  LEU   3          2HB       LEU   3  -2.569  -5.918  -0.694
   12    HB3  LEU   3          1HB       LEU   3  -1.813  -4.485  -1.391
   13    HG   LEU   3           HG       LEU   3  -0.448  -4.727   0.974
   14   HD11  LEU   3          1HD1      LEU   3  -1.595  -6.902   1.402
   15   HD12  LEU   3          2HD1      LEU   3   0.152  -7.079   1.241
   16   HD13  LEU   3          3HD1      LEU   3  -0.908  -7.528  -0.096
   17   HD21  LEU   3          1HD2      LEU   3   0.512  -4.337  -1.269
   18   HD22  LEU   3          2HD2      LEU   3   0.216  -6.024  -1.691
   19   HD23  LEU   3          3HD2      LEU   3   1.383  -5.621  -0.430
   20    H    GLY   4           H        GLY   4  -4.889  -4.988  -0.665
   21    HA2  GLY   4          2HA       GLY   4  -5.552  -3.013  -2.483
   22    HA3  GLY   4          1HA       GLY   4  -6.771  -3.980  -1.652
   23    H    ARG   5           H        ARG   5  -6.554  -3.126   0.937
   24    HA   ARG   5           HA       ARG   5  -7.756  -0.453   0.781
   25    HB2  ARG   5          2HB       ARG   5  -7.715  -2.761   2.527
   26    HB3  ARG   5          1HB       ARG   5  -7.451  -1.283   3.454
   27    HG2  ARG   5          2HG       ARG   5  -9.810  -1.515   3.373
   28    HG3  ARG   5          1HG       ARG   5  -9.440  -0.310   2.140
   29    HD2  ARG   5          2HD       ARG   5  -9.803  -3.275   1.575
   30    HD3  ARG   5          1HD       ARG   5 -11.042  -2.036   1.300
   31    HE   ARG   5           HE       ARG   5  -8.659  -2.443  -0.331
   32   HH11  ARG   5          1HH1      ARG   5 -11.034  -0.217   0.823
   33   HH12  ARG   5          2HH1      ARG   5 -10.802   0.903  -0.478
   34   HH21  ARG   5          1HH2      ARG   5  -8.315  -0.966  -2.003
   35   HH22  ARG   5          2HH2      ARG   5  -9.266   0.480  -2.075
   36    H    CYS   6           H        CYS   6  -4.789  -1.887   2.112
   37    HA   CYS   6           HA       CYS   6  -3.708   0.130   3.652
   38    HB2  CYS   6          2HB       CYS   6  -2.672  -1.833   1.675
   39    HB3  CYS   6          1HB       CYS   6  -1.554  -0.561   2.163
   40    H    ILE   7           H        ILE   7  -3.012  -0.028   0.152
   41    HA   ILE   7           HA       ILE   7  -2.118   2.640  -0.139
   42    HB   ILE   7           HB       ILE   7  -3.529   0.724  -2.008
   43   HG12  ILE   7          2HG1      ILE   7  -0.878   0.803  -2.668
   44   HG13  ILE   7          1HG1      ILE   7  -0.840   0.973  -0.918
   45   HG21  ILE   7          1HG2      ILE   7  -3.484   3.176  -2.735
   46   HG22  ILE   7          2HG2      ILE   7  -2.737   2.027  -3.844
   47   HG23  ILE   7          3HG2      ILE   7  -1.728   3.016  -2.791
   48   HD11  ILE   7          1HD1      ILE   7  -2.706  -1.075  -1.947
   49   HD12  ILE   7          2HD1      ILE   7  -1.617  -1.140  -0.561
   50   HD13  ILE   7          3HD1      ILE   7  -0.995  -1.427  -2.186
   51    H    TYR   8           H        TYR   8  -5.388   1.244  -0.505
   52    HA   TYR   8           HA       TYR   8  -6.850   3.430  -1.414
   53    HB2  TYR   8          2HB       TYR   8  -7.601   1.076  -0.756
   54    HB3  TYR   8          1HB       TYR   8  -7.671   1.662   0.904
   55    HD1  TYR   8          1HD       TYR   8  -9.629   2.681   1.684
   56    HD2  TYR   8          2HD       TYR   8  -8.861   2.536  -2.540
   57    HE1  TYR   8          1HE       TYR   8 -11.865   3.662   1.242
   58    HE2  TYR   8          2HE       TYR   8 -11.096   3.516  -2.981
   59    HH   TYR   8           HH       TYR   8 -13.123   3.965  -2.040
   60    H    ASN   9           H        ASN   9  -6.632   2.678   2.061
   61    HA   ASN   9           HA       ASN   9  -7.322   5.298   2.922
   62    HB2  ASN   9          2HB       ASN   9  -6.570   4.433   5.106
   63    HB3  ASN   9          1HB       ASN   9  -7.535   3.230   4.256
   64   HD21  ASN   9          1HD2      ASN   9  -4.142   4.151   4.974
   65   HD22  ASN   9          2HD2      ASN   9  -3.515   2.586   4.784
   66    H    CYS  10           H        CYS  10  -4.188   3.688   2.530
   67    HA   CYS  10           HA       CYS  10  -2.587   5.848   3.497
   68    HB2  CYS  10          2HB       CYS  10  -1.825   3.538   3.414
   69    HB3  CYS  10          1HB       CYS  10  -2.028   3.507   1.663
   70    H    MET  11           H        MET  11  -2.209   4.665   0.219
   71    HA   MET  11           HA       MET  11  -1.435   7.167  -0.868
   72    HB2  MET  11          2HB       MET  11  -2.612   4.747  -2.230
   73    HB3  MET  11          1HB       MET  11  -1.519   5.932  -2.943
   74    HG2  MET  11          2HG       MET  11  -0.921   3.864  -0.826
   75    HG3  MET  11          1HG       MET  11  -0.111   4.126  -2.365
   76    HE1  MET  11          1HE       MET  11   0.100   7.835  -1.677
   77    HE2  MET  11          2HE       MET  11   0.227   6.581  -2.908
   78    HE3  MET  11          3HE       MET  11   1.689   7.250  -2.189
   79    H    ASN  12           H        ASN  12  -4.469   5.364  -1.428
   80    HA   ASN  12           HA       ASN  12  -5.751   7.589  -2.770
   81    HB2  ASN  12          2HB       ASN  12  -6.095   4.912  -2.700
   82    HB3  ASN  12          1HB       ASN  12  -7.339   5.389  -1.545
   83   HD21  ASN  12          1HD2      ASN  12  -7.554   8.077  -3.066
   84   HD22  ASN  12          2HD2      ASN  12  -8.507   7.698  -4.418
   85    H    SER  13           H        SER  13  -4.948   8.818  -0.565
   86    HA   SER  13           HA       SER  13  -7.314   9.792   0.664
   87    HB2  SER  13          2HB       SER  13  -6.397   7.319   1.644
   88    HB3  SER  13          1HB       SER  13  -5.980   8.507   2.876
   89    HG   SER  13           HG       SER  13  -8.529   8.221   1.650
   90    H    GLY  14           H        GLY  14  -3.843   9.512   0.660
   91    HA2  GLY  14          2HA       GLY  14  -3.315  12.208   1.064
   92    HA3  GLY  14          1HA       GLY  14  -3.306  11.469   2.666
   93    H    GLY  15           H        GLY  15  -2.360   8.882   1.462
   94    HA2  GLY  15          2HA       GLY  15  -0.250   7.847   1.358
   95    HA3  GLY  15          1HA       GLY  15   0.022   9.016   0.065
   96    H    GLY  16           H        GLY  16   0.210   8.650   3.599
   97    HA2  GLY  16          2HA       GLY  16   1.466  11.003   4.330
   98    HA3  GLY  16          1HA       GLY  16   1.855   9.451   5.075
   99    H    LEU  17           H        LEU  17   2.759   8.453   2.334
  100    HA   LEU  17           HA       LEU  17   5.279  10.018   2.076
  101    HB2  LEU  17          2HB       LEU  17   6.388   7.691   1.980
  102    HB3  LEU  17          1HB       LEU  17   5.893   8.306   3.555
  103    HG   LEU  17           HG       LEU  17   3.704   6.911   2.268
  104   HD11  LEU  17          1HD1      LEU  17   6.403   5.707   2.209
  105   HD12  LEU  17          2HD1      LEU  17   4.998   5.383   1.195
  106   HD13  LEU  17          3HD1      LEU  17   5.103   4.673   2.806
  107   HD21  LEU  17          1HD2      LEU  17   4.498   7.476   4.802
  108   HD22  LEU  17          2HD2      LEU  17   5.082   5.818   4.663
  109   HD23  LEU  17          3HD2      LEU  17   3.372   6.175   4.418
  110    H    SER  18           H        SER  18   5.466   7.059   0.483
  111    HA   SER  18           HA       SER  18   4.635   8.351  -2.078
  112    HB2  SER  18          2HB       SER  18   6.713   6.307  -1.291
  113    HB3  SER  18          1HB       SER  18   6.270   6.580  -2.968
  114    HG   SER  18           HG       SER  18   6.784   8.815  -2.602
  115    H    PHE  19           H        PHE  19   4.203   6.451  -3.773
  116    HA   PHE  19           HA       PHE  19   1.920   4.902  -2.714
  117    HB2  PHE  19          2HB       PHE  19   1.821   6.218  -4.813
  118    HB3  PHE  19          1HB       PHE  19   3.108   5.219  -5.488
  119    HD1  PHE  19          1HD       PHE  19   2.663   3.062  -6.394
  120    HD2  PHE  19          2HD       PHE  19  -0.382   5.149  -4.200
  121    HE1  PHE  19          1HE       PHE  19   0.990   1.383  -7.120
  122    HE2  PHE  19          2HE       PHE  19  -2.057   3.469  -4.925
  123    HZ   PHE  19           HZ       PHE  19  -1.371   1.585  -6.386
  124    H    ILE  20           H        ILE  20   4.719   4.131  -4.780
  125    HA   ILE  20           HA       ILE  20   4.621   1.354  -4.789
  126    HB   ILE  20           HB       ILE  20   7.238   2.697  -4.138
  127   HG12  ILE  20          2HG1      ILE  20   7.067   3.069  -6.833
  128   HG13  ILE  20          1HG1      ILE  20   5.405   3.412  -6.349
  129   HG21  ILE  20          1HG2      ILE  20   6.507   0.194  -5.061
  130   HG22  ILE  20          2HG2      ILE  20   8.117   0.901  -5.190
  131   HG23  ILE  20          3HG2      ILE  20   6.985   1.033  -6.536
  132   HD11  ILE  20          1HD1      ILE  20   7.684   5.098  -6.073
  133   HD12  ILE  20          2HD1      ILE  20   7.174   4.628  -4.451
  134   HD13  ILE  20          3HD1      ILE  20   6.033   5.414  -5.540
  135    H    GLN  21           H        GLN  21   5.694   3.470  -2.183
  136    HA   GLN  21           HA       GLN  21   6.714   1.556  -0.373
  137    HB2  GLN  21          2HB       GLN  21   5.367   4.234  -0.218
  138    HB3  GLN  21          1HB       GLN  21   5.691   3.362   1.282
  139    HG2  GLN  21          2HG       GLN  21   7.911   3.548  -0.703
  140    HG3  GLN  21          1HG       GLN  21   7.500   5.010   0.194
  141   HE21  GLN  21          1HE2      GLN  21   9.815   2.893   0.383
  142   HE22  GLN  21          2HE2      GLN  21   9.884   2.559   2.045
  143    H    CYS  22           H        CYS  22   3.491   3.065  -0.030
  144    HA   CYS  22           HA       CYS  22   2.388   0.985   1.584
  145    HB2  CYS  22          2HB       CYS  22   1.505   3.380   0.072
  146    HB3  CYS  22          1HB       CYS  22   0.243   2.185   0.387
  147    H    LYS  23           H        LYS  23   2.515   1.462  -1.933
  148    HA   LYS  23           HA       LYS  23   0.581  -0.361  -2.824
  149    HB2  LYS  23          2HB       LYS  23   2.086   1.157  -4.160
  150    HB3  LYS  23          1HB       LYS  23   3.388  -0.010  -3.921
  151    HG2  LYS  23          2HG       LYS  23   2.136  -0.278  -6.101
  152    HG3  LYS  23          1HG       LYS  23   2.165  -1.726  -5.093
  153    HD2  LYS  23          2HD       LYS  23  -0.075  -1.479  -4.445
  154    HD3  LYS  23          1HD       LYS  23  -0.100   0.240  -4.841
  155    HE2  LYS  23          2HE       LYS  23  -1.291  -0.719  -6.642
  156    HE3  LYS  23          1HE       LYS  23   0.354  -0.605  -7.299
  157    HZ1  LYS  23          1HZ       LYS  23   0.746  -2.821  -6.979
  158    HZ2  LYS  23          2HZ       LYS  23  -0.920  -2.877  -7.312
  159    HZ3  LYS  23          3HZ       LYS  23  -0.368  -2.960  -5.707
  160    H    THR  24           H        THR  24   3.521  -1.050  -1.086
  161    HA   THR  24           HA       THR  24   2.854  -3.940  -1.178
  162    HB   THR  24           HB       THR  24   4.314  -3.728  -3.055
  163    HG1  THR  24          1HG       THR  24   5.377  -5.347  -2.295
  164   HG21  THR  24          1HG2      THR  24   6.708  -2.661  -2.296
  165   HG22  THR  24          2HG2      THR  24   5.591  -1.691  -1.338
  166   HG23  THR  24          3HG2      THR  24   5.430  -1.745  -3.093
  167    H    MET  25           H        MET  25   4.736  -1.304   0.259
  168    HA   MET  25           HA       MET  25   6.040  -2.800   2.285
  169    HB2  MET  25          2HB       MET  25   6.611  -0.682   3.124
  170    HB3  MET  25          1HB       MET  25   6.285  -0.341   1.427
  171    HG2  MET  25          2HG       MET  25   5.025   1.322   2.446
  172    HG3  MET  25          1HG       MET  25   3.819   0.045   2.308
  173    HE1  MET  25          1HE       MET  25   3.159   2.223   4.925
  174    HE2  MET  25          2HE       MET  25   4.533   2.612   3.893
  175    HE3  MET  25          3HE       MET  25   4.765   2.453   5.632
  176    H    CYS  26           H        CYS  26   2.783  -1.472   2.071
  177    HA   CYS  26           HA       CYS  26   2.145  -1.961   4.886
  178    HB2  CYS  26          2HB       CYS  26   1.168  -0.223   3.269
  179    HB3  CYS  26          1HB       CYS  26   0.262  -1.555   2.550
  180    H    TYR  27           H        TYR  27   2.192  -4.117   5.481
  181    HA   TYR  27           HA       TYR  27   1.406  -6.280   3.700
  182    HB2  TYR  27          2HB       TYR  27   3.055  -6.143   5.736
  183    HB3  TYR  27          1HB       TYR  27   1.605  -6.441   6.700
  184    HD1  TYR  27          1HD       TYR  27   3.503  -7.762   3.754
  185    HD2  TYR  27          2HD       TYR  27   0.800  -8.630   6.977
  186    HE1  TYR  27          1HE       TYR  27   3.639 -10.179   3.217
  187    HE2  TYR  27          2HE       TYR  27   0.936 -11.047   6.440
  188    HH   TYR  27           HH       TYR  27   1.572 -12.360   4.027
  Start of MODEL   12
    1    H1   GLY   1          1HT       GLY   1  -5.068 -10.512   1.929
    2    H2   GLY   1          2HT       GLY   1  -3.742 -10.818   2.947
    3    H3   GLY   1          3HT       GLY   1  -3.948 -11.719   1.521
    4    HA2  GLY   1          2HA       GLY   1  -2.358 -10.249   0.835
    5    HA3  GLY   1          1HA       GLY   1  -3.834  -9.396   0.382
    6    H    GLY   2           H        GLY   2  -4.366  -7.496   1.459
    7    HA2  GLY   2          2HA       GLY   2  -4.133  -6.191   3.617
    8    HA3  GLY   2          1HA       GLY   2  -2.420  -6.605   3.553
    9    H    LEU   3           H        LEU   3  -3.665  -6.066   0.458
   10    HA   LEU   3           HA       LEU   3  -2.323  -3.408   0.363
   11    HB2  LEU   3          2HB       LEU   3  -3.308  -5.216  -1.862
   12    HB3  LEU   3          1HB       LEU   3  -2.166  -3.880  -2.011
   13    HG   LEU   3           HG       LEU   3  -1.733  -6.459  -0.478
   14   HD11  LEU   3          1HD1      LEU   3  -0.256  -7.072  -2.175
   15   HD12  LEU   3          2HD1      LEU   3  -0.013  -5.406  -2.703
   16   HD13  LEU   3          3HD1      LEU   3  -1.513  -6.247  -3.094
   17   HD21  LEU   3          1HD2      LEU   3   0.660  -5.341  -0.381
   18   HD22  LEU   3          2HD2      LEU   3  -0.563  -4.911   0.815
   19   HD23  LEU   3          3HD2      LEU   3  -0.258  -3.845  -0.556
   20    H    GLY   4           H        GLY   4  -5.398  -5.007  -0.367
   21    HA2  GLY   4          2HA       GLY   4  -6.803  -3.071  -1.734
   22    HA3  GLY   4          1HA       GLY   4  -7.555  -4.070  -0.491
   23    H    ARG   5           H        ARG   5  -6.954  -3.272   1.826
   24    HA   ARG   5           HA       ARG   5  -7.965  -0.585   2.114
   25    HB2  ARG   5          2HB       ARG   5  -7.895  -2.819   3.623
   26    HB3  ARG   5          1HB       ARG   5  -6.535  -1.953   4.338
   27    HG2  ARG   5          2HG       ARG   5  -8.312  -1.141   5.610
   28    HG3  ARG   5          1HG       ARG   5  -8.204   0.081   4.342
   29    HD2  ARG   5          2HD       ARG   5  -9.855  -1.926   3.263
   30    HD3  ARG   5          1HD       ARG   5 -10.404  -1.712   4.937
   31    HE   ARG   5           HE       ARG   5 -11.134   0.451   4.341
   32   HH11  ARG   5          1HH1      ARG   5  -9.762   2.426   3.629
   33   HH12  ARG   5          2HH1      ARG   5  -9.416   2.423   1.936
   34   HH21  ARG   5          1HH2      ARG   5 -10.236  -0.926   1.505
   35   HH22  ARG   5          2HH2      ARG   5  -9.676   0.513   0.731
   36    H    CYS   6           H        CYS   6  -4.731  -2.019   2.396
   37    HA   CYS   6           HA       CYS   6  -3.223  -0.008   3.544
   38    HB2  CYS   6          2HB       CYS   6  -2.871  -2.155   1.618
   39    HB3  CYS   6          1HB       CYS   6  -1.768  -0.821   1.286
   40    H    ILE   7           H        ILE   7  -2.980  -0.162   0.032
   41    HA   ILE   7           HA       ILE   7  -2.323   2.483  -0.441
   42    HB   ILE   7           HB       ILE   7  -3.885   0.453  -2.029
   43   HG12  ILE   7          2HG1      ILE   7  -1.418   0.733  -3.141
   44   HG13  ILE   7          1HG1      ILE   7  -1.082   1.021  -1.440
   45   HG21  ILE   7          1HG2      ILE   7  -3.636   3.196  -2.616
   46   HG22  ILE   7          2HG2      ILE   7  -4.149   1.919  -3.719
   47   HG23  ILE   7          3HG2      ILE   7  -2.448   2.380  -3.633
   48   HD11  ILE   7          1HD1      ILE   7  -1.428  -1.148  -0.899
   49   HD12  ILE   7          2HD1      ILE   7  -1.329  -1.468  -2.631
   50   HD13  ILE   7          3HD1      ILE   7  -2.900  -1.227  -1.868
   51    H    TYR   8           H        TYR   8  -5.658   1.134  -0.559
   52    HA   TYR   8           HA       TYR   8  -7.123   3.342  -1.298
   53    HB2  TYR   8          2HB       TYR   8  -7.793   0.976  -0.471
   54    HB3  TYR   8          1HB       TYR   8  -7.945   1.756   1.102
   55    HD1  TYR   8          1HD       TYR   8  -9.020   4.338   0.694
   56    HD2  TYR   8          2HD       TYR   8  -9.854   0.756  -1.524
   57    HE1  TYR   8          1HE       TYR   8 -11.211   5.274   0.005
   58    HE2  TYR   8          2HE       TYR   8 -12.047   1.691  -2.211
   59    HH   TYR   8           HH       TYR   8 -12.923   5.022  -1.503
   60    H    ASN   9           H        ASN   9  -6.889   2.724   2.195
   61    HA   ASN   9           HA       ASN   9  -7.432   5.365   2.975
   62    HB2  ASN   9          2HB       ASN   9  -7.056   2.919   4.133
   63    HB3  ASN   9          1HB       ASN   9  -5.622   3.784   4.678
   64   HD21  ASN   9          1HD2      ASN   9  -9.125   3.632   4.921
   65   HD22  ASN   9          2HD2      ASN   9  -9.281   4.809   6.131
   66    H    CYS  10           H        CYS  10  -4.362   3.840   2.105
   67    HA   CYS  10           HA       CYS  10  -2.735   6.027   3.059
   68    HB2  CYS  10          2HB       CYS  10  -2.069   3.614   2.890
   69    HB3  CYS  10          1HB       CYS  10  -2.068   3.789   1.138
   70    H    MET  11           H        MET  11  -2.596   4.807  -0.251
   71    HA   MET  11           HA       MET  11  -1.758   7.108  -1.520
   72    HB2  MET  11          2HB       MET  11  -3.758   5.093  -2.543
   73    HB3  MET  11          1HB       MET  11  -2.649   6.057  -3.518
   74    HG2  MET  11          2HG       MET  11  -2.022   3.767  -1.668
   75    HG3  MET  11          1HG       MET  11  -1.543   3.990  -3.343
   76    HE1  MET  11          1HE       MET  11   1.026   6.815  -3.224
   77    HE2  MET  11          2HE       MET  11  -0.663   7.264  -3.011
   78    HE3  MET  11          3HE       MET  11  -0.238   5.972  -4.129
   79    H    ASN  12           H        ASN  12  -5.192   6.107  -1.393
   80    HA   ASN  12           HA       ASN  12  -6.462   8.254  -2.546
   81    HB2  ASN  12          2HB       ASN  12  -7.376   6.166  -1.356
   82    HB3  ASN  12          1HB       ASN  12  -7.324   7.126   0.121
   83   HD21  ASN  12          1HD2      ASN  12  -7.923   9.493  -2.021
   84   HD22  ASN  12          2HD2      ASN  12  -9.615   9.431  -2.101
   85    H    SER  13           H        SER  13  -6.067   8.201   1.001
   86    HA   SER  13           HA       SER  13  -6.590  10.882   1.526
   87    HB2  SER  13          2HB       SER  13  -6.252   9.090   3.195
   88    HB3  SER  13          1HB       SER  13  -4.535   9.054   2.808
   89    HG   SER  13           HG       SER  13  -5.936  10.758   4.400
   90    H    GLY  14           H        GLY  14  -3.670   9.456   0.194
   91    HA2  GLY  14          2HA       GLY  14  -2.591  11.465  -1.203
   92    HA3  GLY  14          1HA       GLY  14  -2.191  11.965   0.438
   93    H    GLY  15           H        GLY  15  -2.100   8.859   0.955
   94    HA2  GLY  15          2HA       GLY  15  -0.520   7.112   0.585
   95    HA3  GLY  15          1HA       GLY  15   0.436   8.240  -0.371
   96    H    GLY  16           H        GLY  16  -0.241  10.116   2.109
   97    HA2  GLY  16          2HA       GLY  16   0.781  10.670   4.138
   98    HA3  GLY  16          1HA       GLY  16   1.370   9.012   4.220
   99    H    LEU  17           H        LEU  17   2.989   8.733   2.063
  100    HA   LEU  17           HA       LEU  17   4.808  11.061   1.943
  101    HB2  LEU  17          2HB       LEU  17   6.681   9.488   2.662
  102    HB3  LEU  17          1HB       LEU  17   5.552   9.991   3.922
  103    HG   LEU  17           HG       LEU  17   4.428   7.705   2.680
  104   HD11  LEU  17          1HD1      LEU  17   6.209   6.534   1.979
  105   HD12  LEU  17          2HD1      LEU  17   6.703   6.415   3.667
  106   HD13  LEU  17          3HD1      LEU  17   7.326   7.718   2.656
  107   HD21  LEU  17          1HD2      LEU  17   4.002   8.180   4.962
  108   HD22  LEU  17          2HD2      LEU  17   5.720   8.319   5.338
  109   HD23  LEU  17          3HD2      LEU  17   5.017   6.738   4.995
  110    H    SER  18           H        SER  18   4.042   7.768   0.870
  111    HA   SER  18           HA       SER  18   5.003   8.447  -1.842
  112    HB2  SER  18          2HB       SER  18   6.522   6.972   0.129
  113    HB3  SER  18          1HB       SER  18   6.202   5.975  -1.281
  114    HG   SER  18           HG       SER  18   7.587   7.140  -2.333
  115    H    PHE  19           H        PHE  19   5.035   6.000  -2.964
  116    HA   PHE  19           HA       PHE  19   2.249   4.974  -2.547
  117    HB2  PHE  19          2HB       PHE  19   2.451   5.929  -4.706
  118    HB3  PHE  19          1HB       PHE  19   4.097   5.334  -4.906
  119    HD1  PHE  19          1HD       PHE  19   0.568   4.130  -4.497
  120    HD2  PHE  19          2HD       PHE  19   4.491   3.338  -6.057
  121    HE1  PHE  19          1HE       PHE  19  -0.290   2.098  -5.630
  122    HE2  PHE  19          2HE       PHE  19   3.634   1.308  -7.189
  123    HZ   PHE  19           HZ       PHE  19   1.242   0.687  -6.978
  124    H    ILE  20           H        ILE  20   5.295   3.834  -3.954
  125    HA   ILE  20           HA       ILE  20   5.004   1.090  -3.673
  126    HB   ILE  20           HB       ILE  20   7.556   1.191  -3.275
  127   HG12  ILE  20          2HG1      ILE  20   7.093   4.146  -3.739
  128   HG13  ILE  20          1HG1      ILE  20   7.338   3.469  -2.128
  129   HG21  ILE  20          1HG2      ILE  20   7.944   1.774  -5.542
  130   HG22  ILE  20          2HG2      ILE  20   6.593   2.909  -5.564
  131   HG23  ILE  20          3HG2      ILE  20   6.285   1.173  -5.514
  132   HD11  ILE  20          1HD1      ILE  20   9.376   4.335  -3.668
  133   HD12  ILE  20          2HD1      ILE  20   9.294   2.660  -4.214
  134   HD13  ILE  20          3HD1      ILE  20   9.553   3.019  -2.508
  135    H    GLN  21           H        GLN  21   5.527   3.467  -1.141
  136    HA   GLN  21           HA       GLN  21   6.332   1.640   0.948
  137    HB2  GLN  21          2HB       GLN  21   4.935   4.337   0.994
  138    HB3  GLN  21          1HB       GLN  21   5.714   3.579   2.385
  139    HG2  GLN  21          2HG       GLN  21   7.323   3.854  -0.113
  140    HG3  GLN  21          1HG       GLN  21   7.022   5.314   0.828
  141   HE21  GLN  21          1HE2      GLN  21   9.432   3.246   0.455
  142   HE22  GLN  21          2HE2      GLN  21   9.982   3.064   2.050
  143    H    CYS  22           H        CYS  22   3.268   2.478  -0.487
  144    HA   CYS  22           HA       CYS  22   1.840   0.895   1.622
  145    HB2  CYS  22          2HB       CYS  22   1.201   3.311  -0.048
  146    HB3  CYS  22          1HB       CYS  22  -0.124   2.274   0.482
  147    H    LYS  23           H        LYS  23   2.240   1.493  -1.848
  148    HA   LYS  23           HA       LYS  23   0.303  -0.004  -3.079
  149    HB2  LYS  23          2HB       LYS  23   2.117   1.107  -4.254
  150    HB3  LYS  23          1HB       LYS  23   3.294  -0.010  -3.565
  151    HG2  LYS  23          2HG       LYS  23   2.532  -0.510  -5.961
  152    HG3  LYS  23          1HG       LYS  23   2.440  -1.847  -4.817
  153    HD2  LYS  23          2HD       LYS  23   0.035  -1.312  -4.432
  154    HD3  LYS  23          1HD       LYS  23   0.144  -0.055  -5.664
  155    HE2  LYS  23          2HE       LYS  23   0.905  -2.928  -6.252
  156    HE3  LYS  23          1HE       LYS  23  -0.748  -2.322  -6.473
  157    HZ1  LYS  23          1HZ       LYS  23   0.612  -2.056  -8.489
  158    HZ2  LYS  23          2HZ       LYS  23   1.690  -1.069  -7.622
  159    HZ3  LYS  23          3HZ       LYS  23   0.087  -0.566  -7.873
  160    H    THR  24           H        THR  24   3.313  -1.444  -1.782
  161    HA   THR  24           HA       THR  24   1.806  -3.926  -1.157
  162    HB   THR  24           HB       THR  24   2.494  -4.265  -3.440
  163    HG1  THR  24          1HG       THR  24   2.898  -6.062  -2.220
  164   HG21  THR  24          1HG2      THR  24   4.590  -2.520  -2.725
  165   HG22  THR  24          2HG2      THR  24   4.280  -3.221  -4.313
  166   HG23  THR  24          3HG2      THR  24   5.359  -4.039  -3.183
  167    H    MET  25           H        MET  25   3.762  -1.651   0.019
  168    HA   MET  25           HA       MET  25   5.861  -3.290   1.189
  169    HB2  MET  25          2HB       MET  25   5.048  -0.463   1.008
  170    HB3  MET  25          1HB       MET  25   5.896  -0.893   2.493
  171    HG2  MET  25          2HG       MET  25   7.176  -2.111   0.196
  172    HG3  MET  25          1HG       MET  25   7.051  -0.367  -0.016
  173    HE1  MET  25          1HE       MET  25   7.397   1.141   2.525
  174    HE2  MET  25          2HE       MET  25   8.264   1.298   1.000
  175    HE3  MET  25          3HE       MET  25   9.162   1.256   2.515
  176    H    CYS  26           H        CYS  26   2.994  -1.550   2.378
  177    HA   CYS  26           HA       CYS  26   3.233  -2.449   5.110
  178    HB2  CYS  26          2HB       CYS  26   0.868  -1.585   5.186
  179    HB3  CYS  26          1HB       CYS  26   2.006  -0.446   4.469
  180    H    TYR  27           H        TYR  27   3.079  -4.599   5.624
  181    HA   TYR  27           HA       TYR  27   0.969  -6.223   4.240
  182    HB2  TYR  27          2HB       TYR  27   3.513  -6.613   3.863
  183    HB3  TYR  27          1HB       TYR  27   3.496  -7.286   5.496
  184    HD1  TYR  27          1HD       TYR  27   2.488  -9.415   5.962
  185    HD2  TYR  27          2HD       TYR  27   2.094  -7.628   2.076
  186    HE1  TYR  27          1HE       TYR  27   1.578 -11.545   5.075
  187    HE2  TYR  27          2HE       TYR  27   1.183  -9.757   1.189
  188    HH   TYR  27           HH       TYR  27   0.301 -12.388   3.279
  Start of MODEL   13
    1    H1   GLY   1          1HT       GLY   1  -1.880 -10.690   1.942
    2    H2   GLY   1          2HT       GLY   1  -1.618  -9.124   2.546
    3    H3   GLY   1          3HT       GLY   1  -2.434  -9.344   1.072
    4    HA2  GLY   1          2HA       GLY   1  -4.373 -10.012   2.051
    5    HA3  GLY   1          1HA       GLY   1  -3.535 -10.578   3.496
    6    H    GLY   2           H        GLY   2  -4.286  -7.576   1.714
    7    HA2  GLY   2          2HA       GLY   2  -5.538  -6.025   3.478
    8    HA3  GLY   2          1HA       GLY   2  -3.940  -6.035   4.225
    9    H    LEU   3           H        LEU   3  -2.744  -6.233   1.426
   10    HA   LEU   3           HA       LEU   3  -2.019  -3.554   1.010
   11    HB2  LEU   3          2HB       LEU   3  -2.337  -5.849  -0.950
   12    HB3  LEU   3          1HB       LEU   3  -1.391  -4.393  -1.258
   13    HG   LEU   3           HG       LEU   3  -0.893  -6.077   1.193
   14   HD11  LEU   3          1HD1      LEU   3   1.047  -7.010  -0.250
   15   HD12  LEU   3          2HD1      LEU   3   0.080  -6.495  -1.633
   16   HD13  LEU   3          3HD1      LEU   3  -0.561  -7.687  -0.503
   17   HD21  LEU   3          1HD2      LEU   3   1.452  -5.063   0.679
   18   HD22  LEU   3          2HD2      LEU   3   0.211  -4.002   1.346
   19   HD23  LEU   3          3HD2      LEU   3   0.572  -3.962  -0.381
   20    H    GLY   4           H        GLY   4  -4.961  -5.207   0.066
   21    HA2  GLY   4          2HA       GLY   4  -5.903  -3.666  -2.046
   22    HA3  GLY   4          1HA       GLY   4  -6.958  -4.335  -0.802
   23    H    ARG   5           H        ARG   5  -6.999  -3.025   1.280
   24    HA   ARG   5           HA       ARG   5  -7.727  -0.289   0.690
   25    HB2  ARG   5          2HB       ARG   5  -7.938  -2.237   2.790
   26    HB3  ARG   5          1HB       ARG   5  -7.341  -0.728   3.482
   27    HG2  ARG   5          2HG       ARG   5  -9.884  -0.974   3.365
   28    HG3  ARG   5          1HG       ARG   5  -9.218   0.503   2.669
   29    HD2  ARG   5          2HD       ARG   5  -9.317  -1.665   0.708
   30    HD3  ARG   5          1HD       ARG   5 -10.921  -1.269   1.355
   31    HE   ARG   5           HE       ARG   5 -10.056   1.207   0.927
   32   HH11  ARG   5          1HH1      ARG   5  -8.413  -1.153  -0.815
   33   HH12  ARG   5          2HH1      ARG   5  -8.766  -0.489  -2.375
   34   HH21  ARG   5          1HH2      ARG   5 -10.982   1.884  -1.167
   35   HH22  ARG   5          2HH2      ARG   5 -10.215   1.228  -2.575
   36    H    CYS   6           H        CYS   6  -4.786  -1.837   1.799
   37    HA   CYS   6           HA       CYS   6  -3.399   0.171   3.129
   38    HB2  CYS   6          2HB       CYS   6  -2.631  -1.842   1.022
   39    HB3  CYS   6          1HB       CYS   6  -1.416  -0.813   1.775
   40    H    ILE   7           H        ILE   7  -2.930  -0.314  -0.370
   41    HA   ILE   7           HA       ILE   7  -1.847   2.189  -0.963
   42    HB   ILE   7           HB       ILE   7  -3.634   0.327  -2.538
   43   HG12  ILE   7          2HG1      ILE   7  -1.127   0.099  -3.517
   44   HG13  ILE   7          1HG1      ILE   7  -0.801   0.460  -1.831
   45   HG21  ILE   7          1HG2      ILE   7  -3.339   1.580  -4.424
   46   HG22  ILE   7          2HG2      ILE   7  -1.711   2.067  -3.953
   47   HG23  ILE   7          3HG2      ILE   7  -3.111   2.898  -3.275
   48   HD11  ILE   7          1HD1      ILE   7  -2.919  -1.549  -2.365
   49   HD12  ILE   7          2HD1      ILE   7  -1.699  -1.517  -1.091
   50   HD13  ILE   7          3HD1      ILE   7  -1.263  -2.045  -2.717
   51    H    TYR   8           H        TYR   8  -5.280   1.225  -0.895
   52    HA   TYR   8           HA       TYR   8  -6.459   3.591  -1.856
   53    HB2  TYR   8          2HB       TYR   8  -7.788   1.660  -1.392
   54    HB3  TYR   8          1HB       TYR   8  -7.227   1.590   0.278
   55    HD1  TYR   8          1HD       TYR   8  -9.159   3.710  -2.117
   56    HD2  TYR   8          2HD       TYR   8  -8.393   2.720   1.992
   57    HE1  TYR   8          1HE       TYR   8 -11.059   5.142  -1.417
   58    HE2  TYR   8          2HE       TYR   8 -10.293   4.151   2.692
   59    HH   TYR   8           HH       TYR   8 -12.661   5.013   1.005
   60    H    ASN   9           H        ASN   9  -6.488   2.897   1.618
   61    HA   ASN   9           HA       ASN   9  -6.803   5.508   2.537
   62    HB2  ASN   9          2HB       ASN   9  -6.030   2.894   3.538
   63    HB3  ASN   9          1HB       ASN   9  -5.220   4.184   4.429
   64   HD21  ASN   9          1HD2      ASN   9  -7.249   6.201   4.258
   65   HD22  ASN   9          2HD2      ASN   9  -8.601   5.676   5.140
   66    H    CYS  10           H        CYS  10  -3.840   4.025   1.347
   67    HA   CYS  10           HA       CYS  10  -2.161   6.117   2.508
   68    HB2  CYS  10          2HB       CYS  10  -1.830   3.494   2.045
   69    HB3  CYS  10          1HB       CYS  10  -1.165   4.133   0.546
   70    H    MET  11           H        MET  11  -2.624   4.828  -0.745
   71    HA   MET  11           HA       MET  11  -1.431   7.103  -2.050
   72    HB2  MET  11          2HB       MET  11  -3.187   4.930  -3.179
   73    HB3  MET  11          1HB       MET  11  -1.900   5.809  -4.003
   74    HG2  MET  11          2HG       MET  11  -1.653   3.736  -1.829
   75    HG3  MET  11          1HG       MET  11  -0.912   3.731  -3.420
   76    HE1  MET  11          1HE       MET  11   0.918   5.781  -4.125
   77    HE2  MET  11          2HE       MET  11   1.241   7.074  -2.972
   78    HE3  MET  11          3HE       MET  11  -0.403   6.793  -3.532
   79    H    ASN  12           H        ASN  12  -4.704   6.308  -1.075
   80    HA   ASN  12           HA       ASN  12  -6.009   8.106  -2.969
   81    HB2  ASN  12          2HB       ASN  12  -6.980   6.044  -1.873
   82    HB3  ASN  12          1HB       ASN  12  -7.028   6.951  -0.361
   83   HD21  ASN  12          1HD2      ASN  12  -9.163   7.595  -0.034
   84   HD22  ASN  12          2HD2      ASN  12 -10.167   8.269  -1.225
   85    H    SER  13           H        SER  13  -5.467   8.237   0.562
   86    HA   SER  13           HA       SER  13  -4.642  10.907   0.732
   87    HB2  SER  13          2HB       SER  13  -6.519  11.973   0.017
   88    HB3  SER  13          1HB       SER  13  -7.481  10.501   0.133
   89    HG   SER  13           HG       SER  13  -7.576  12.559   1.718
   90    H    GLY  14           H        GLY  14  -3.559  10.329   2.618
   91    HA2  GLY  14          2HA       GLY  14  -4.858  10.395   5.103
   92    HA3  GLY  14          1HA       GLY  14  -4.617   8.701   4.680
   93    H    GLY  15           H        GLY  15  -2.368   8.063   4.125
   94    HA2  GLY  15          2HA       GLY  15  -0.215   9.853   5.025
   95    HA3  GLY  15          1HA       GLY  15  -0.480   8.431   6.041
   96    H    GLY  16           H        GLY  16   0.552   9.514   2.861
   97    HA2  GLY  16          2HA       GLY  16   2.206   7.174   2.557
   98    HA3  GLY  16          1HA       GLY  16   0.856   7.196   1.422
   99    H    LEU  17           H        LEU  17   3.897   8.669   2.276
  100    HA   LEU  17           HA       LEU  17   3.783  10.928   0.506
  101    HB2  LEU  17          2HB       LEU  17   6.272  10.828   0.844
  102    HB3  LEU  17          1HB       LEU  17   5.332  10.804   2.338
  103    HG   LEU  17           HG       LEU  17   5.554   8.119   1.482
  104   HD11  LEU  17          1HD1      LEU  17   8.313   9.224   1.775
  105   HD12  LEU  17          2HD1      LEU  17   7.534   9.339   0.197
  106   HD13  LEU  17          3HD1      LEU  17   7.773   7.762   0.950
  107   HD21  LEU  17          1HD2      LEU  17   7.401   8.995   3.583
  108   HD22  LEU  17          2HD2      LEU  17   6.024   7.896   3.686
  109   HD23  LEU  17          3HD2      LEU  17   5.771   9.639   3.786
  110    H    SER  18           H        SER  18   4.543   7.537   0.013
  111    HA   SER  18           HA       SER  18   5.152   8.155  -2.862
  112    HB2  SER  18          2HB       SER  18   6.452   6.460  -0.802
  113    HB3  SER  18          1HB       SER  18   6.354   5.767  -2.415
  114    HG   SER  18           HG       SER  18   7.674   8.072  -1.514
  115    H    PHE  19           H        PHE  19   5.030   5.698  -3.948
  116    HA   PHE  19           HA       PHE  19   2.253   4.739  -3.343
  117    HB2  PHE  19          2HB       PHE  19   2.671   5.981  -5.498
  118    HB3  PHE  19          1HB       PHE  19   3.793   4.697  -5.955
  119    HD1  PHE  19          1HD       PHE  19   0.411   5.771  -6.064
  120    HD2  PHE  19          2HD       PHE  19   2.849   2.245  -5.797
  121    HE1  PHE  19          1HE       PHE  19  -1.481   4.401  -6.890
  122    HE2  PHE  19          2HE       PHE  19   0.956   0.875  -6.624
  123    HZ   PHE  19           HZ       PHE  19  -1.210   1.952  -7.169
  124    H    ILE  20           H        ILE  20   5.225   3.612  -4.950
  125    HA   ILE  20           HA       ILE  20   4.805   0.843  -4.743
  126    HB   ILE  20           HB       ILE  20   7.505   2.001  -4.072
  127   HG12  ILE  20          2HG1      ILE  20   7.480   2.109  -6.807
  128   HG13  ILE  20          1HG1      ILE  20   5.856   2.685  -6.426
  129   HG21  ILE  20          1HG2      ILE  20   6.366  -0.384  -5.407
  130   HG22  ILE  20          2HG2      ILE  20   7.848  -0.219  -4.464
  131   HG23  ILE  20          3HG2      ILE  20   7.819   0.280  -6.155
  132   HD11  ILE  20          1HD1      ILE  20   8.503   3.892  -5.742
  133   HD12  ILE  20          2HD1      ILE  20   7.185   4.093  -4.590
  134   HD13  ILE  20          3HD1      ILE  20   7.007   4.681  -6.243
  135    H    GLN  21           H        GLN  21   5.714   3.188  -2.305
  136    HA   GLN  21           HA       GLN  21   6.526   1.440  -0.214
  137    HB2  GLN  21          2HB       GLN  21   5.260   4.165  -0.434
  138    HB3  GLN  21          1HB       GLN  21   5.506   3.447   1.157
  139    HG2  GLN  21          2HG       GLN  21   7.634   3.983  -0.934
  140    HG3  GLN  21          1HG       GLN  21   7.448   4.804   0.616
  141   HE21  GLN  21          1HE2      GLN  21   9.581   2.838  -0.630
  142   HE22  GLN  21          2HE2      GLN  21   9.846   1.735   0.631
  143    H    CYS  22           H        CYS  22   3.397   3.149  -0.187
  144    HA   CYS  22           HA       CYS  22   2.039   1.273   1.455
  145    HB2  CYS  22          2HB       CYS  22   0.857   3.026  -0.727
  146    HB3  CYS  22          1HB       CYS  22   0.062   2.490   0.754
  147    H    LYS  23           H        LYS  23   2.526   1.419  -2.055
  148    HA   LYS  23           HA       LYS  23   0.646  -0.675  -2.727
  149    HB2  LYS  23          2HB       LYS  23   1.491   1.056  -4.276
  150    HB3  LYS  23          1HB       LYS  23   3.116   0.386  -4.132
  151    HG2  LYS  23          2HG       LYS  23   2.127  -0.497  -6.157
  152    HG3  LYS  23          1HG       LYS  23   2.209  -1.804  -4.977
  153    HD2  LYS  23          2HD       LYS  23  -0.143  -1.426  -4.368
  154    HD3  LYS  23          1HD       LYS  23  -0.234  -0.095  -5.523
  155    HE2  LYS  23          2HE       LYS  23   0.629  -2.840  -6.437
  156    HE3  LYS  23          1HE       LYS  23  -1.092  -2.426  -6.308
  157    HZ1  LYS  23          1HZ       LYS  23   0.959  -0.856  -7.782
  158    HZ2  LYS  23          2HZ       LYS  23  -0.685  -0.452  -7.643
  159    HZ3  LYS  23          3HZ       LYS  23  -0.218  -1.846  -8.496
  160    H    THR  24           H        THR  24   3.601  -0.788  -1.067
  161    HA   THR  24           HA       THR  24   3.707  -3.719  -1.332
  162    HB   THR  24           HB       THR  24   6.252  -2.311  -1.993
  163    HG1  THR  24          1HG       THR  24   5.619  -1.975  -4.085
  164   HG21  THR  24          1HG2      THR  24   6.672  -4.275  -3.254
  165   HG22  THR  24          2HG2      THR  24   4.961  -4.697  -3.317
  166   HG23  THR  24          3HG2      THR  24   5.850  -4.843  -1.801
  167    H    MET  25           H        MET  25   3.387  -1.760   0.894
  168    HA   MET  25           HA       MET  25   5.617  -2.733   2.549
  169    HB2  MET  25          2HB       MET  25   6.259  -0.587   3.217
  170    HB3  MET  25          1HB       MET  25   5.829  -0.314   1.532
  171    HG2  MET  25          2HG       MET  25   3.628   0.505   2.176
  172    HG3  MET  25          1HG       MET  25   3.929   0.090   3.861
  173    HE1  MET  25          1HE       MET  25   2.799   2.429   3.097
  174    HE2  MET  25          2HE       MET  25   3.711   3.934   3.016
  175    HE3  MET  25          3HE       MET  25   3.512   3.116   4.564
  176    H    CYS  26           H        CYS  26   2.509  -1.003   2.533
  177    HA   CYS  26           HA       CYS  26   1.805  -1.296   5.250
  178    HB2  CYS  26          2HB       CYS  26   0.512   0.055   3.738
  179    HB3  CYS  26          1HB       CYS  26   0.198  -1.323   2.681
  180    H    TYR  27           H        TYR  27   0.263  -2.886   6.206
  181    HA   TYR  27           HA       TYR  27   0.941  -5.645   5.365
  182    HB2  TYR  27          2HB       TYR  27   1.179  -4.951   7.703
  183    HB3  TYR  27          1HB       TYR  27  -0.517  -4.457   7.748
  184    HD1  TYR  27          1HD       TYR  27   1.259  -7.479   6.401
  185    HD2  TYR  27          2HD       TYR  27  -1.771  -5.946   9.030
  186    HE1  TYR  27          1HE       TYR  27   0.597  -9.796   6.987
  187    HE2  TYR  27          2HE       TYR  27  -2.433  -8.262   9.617
  188    HH   TYR  27           HH       TYR  27  -1.449 -10.509   9.619
  Start of MODEL   14
    1    H1   GLY   1          1HT       GLY   1  -5.500 -11.235   2.692
    2    H2   GLY   1          2HT       GLY   1  -3.960 -10.518   2.708
    3    H3   GLY   1          3HT       GLY   1  -4.416 -11.530   1.421
    4    HA2  GLY   1          2HA       GLY   1  -4.718  -9.485   0.466
    5    HA3  GLY   1          1HA       GLY   1  -6.325  -9.820   1.110
    6    H    GLY   2           H        GLY   2  -3.763  -7.606   1.138
    7    HA2  GLY   2          2HA       GLY   2  -5.088  -6.124   3.356
    8    HA3  GLY   2          1HA       GLY   2  -3.338  -6.344   3.404
    9    H    LEU   3           H        LEU   3  -2.640  -5.968   0.760
   10    HA   LEU   3           HA       LEU   3  -2.283  -3.253   0.413
   11    HB2  LEU   3          2HB       LEU   3  -2.862  -5.346  -1.710
   12    HB3  LEU   3          1HB       LEU   3  -2.032  -3.815  -1.993
   13    HG   LEU   3           HG       LEU   3  -0.943  -5.484   0.205
   14   HD11  LEU   3          1HD1      LEU   3  -1.258  -6.462  -2.562
   15   HD12  LEU   3          2HD1      LEU   3  -0.922  -7.361  -1.082
   16   HD13  LEU   3          3HD1      LEU   3   0.389  -6.549  -1.938
   17   HD21  LEU   3          1HD2      LEU   3   0.337  -3.587  -0.223
   18   HD22  LEU   3          2HD2      LEU   3   0.020  -3.642  -1.957
   19   HD23  LEU   3          3HD2      LEU   3   1.162  -4.775  -1.233
   20    H    GLY   4           H        GLY   4  -5.129  -5.137  -0.564
   21    HA2  GLY   4          2HA       GLY   4  -6.546  -3.292  -2.066
   22    HA3  GLY   4          1HA       GLY   4  -7.331  -4.413  -0.951
   23    H    ARG   5           H        ARG   5  -6.040  -3.309   1.423
   24    HA   ARG   5           HA       ARG   5  -7.748  -0.889   1.721
   25    HB2  ARG   5          2HB       ARG   5  -7.378  -3.180   3.208
   26    HB3  ARG   5          1HB       ARG   5  -6.367  -2.015   4.063
   27    HG2  ARG   5          2HG       ARG   5  -9.289  -1.637   3.346
   28    HG3  ARG   5          1HG       ARG   5  -8.654  -1.970   4.958
   29    HD2  ARG   5          2HD       ARG   5  -8.148   0.217   5.285
   30    HD3  ARG   5          1HD       ARG   5  -7.305   0.310   3.725
   31    HE   ARG   5           HE       ARG   5 -10.193   0.823   4.157
   32   HH11  ARG   5          1HH1      ARG   5 -10.013  -0.725   1.673
   33   HH12  ARG   5          2HH1      ARG   5  -9.687   0.479   0.474
   34   HH21  ARG   5          1HH2      ARG   5  -8.671   2.869   2.776
   35   HH22  ARG   5          2HH2      ARG   5  -8.935   2.524   1.102
   36    H    CYS   6           H        CYS   6  -4.416  -2.001   2.318
   37    HA   CYS   6           HA       CYS   6  -3.254   0.235   3.492
   38    HB2  CYS   6          2HB       CYS   6  -2.273  -1.606   1.291
   39    HB3  CYS   6          1HB       CYS   6  -1.218  -0.503   2.171
   40    H    ILE   7           H        ILE   7  -2.421  -0.151   0.109
   41    HA   ILE   7           HA       ILE   7  -1.988   2.445  -0.619
   42    HB   ILE   7           HB       ILE   7  -3.267   0.123  -2.051
   43   HG12  ILE   7          2HG1      ILE   7  -0.797   0.543  -3.086
   44   HG13  ILE   7          1HG1      ILE   7  -0.583   1.096  -1.432
   45   HG21  ILE   7          1HG2      ILE   7  -3.634   1.376  -3.884
   46   HG22  ILE   7          2HG2      ILE   7  -1.967   1.949  -3.840
   47   HG23  ILE   7          3HG2      ILE   7  -3.220   2.812  -2.949
   48   HD11  ILE   7          1HD1      ILE   7  -2.099  -1.405  -1.633
   49   HD12  ILE   7          2HD1      ILE   7  -0.732  -1.004  -0.594
   50   HD13  ILE   7          3HD1      ILE   7  -0.453  -1.538  -2.252
   51    H    TYR   8           H        TYR   8  -5.212   0.871  -0.986
   52    HA   TYR   8           HA       TYR   8  -6.742   2.991  -1.879
   53    HB2  TYR   8          2HB       TYR   8  -7.297   0.556  -1.065
   54    HB3  TYR   8          1HB       TYR   8  -7.684   1.354   0.457
   55    HD1  TYR   8          1HD       TYR   8  -8.725   3.976  -0.568
   56    HD2  TYR   8          2HD       TYR   8  -9.421  -0.048  -1.895
   57    HE1  TYR   8          1HE       TYR   8 -10.911   4.667  -1.512
   58    HE2  TYR   8          2HE       TYR   8 -11.611   0.643  -2.840
   59    HH   TYR   8           HH       TYR   8 -12.461   3.790  -3.393
   60    H    ASN   9           H        ASN   9  -6.633   2.315   1.614
   61    HA   ASN   9           HA       ASN   9  -7.469   4.864   2.447
   62    HB2  ASN   9          2HB       ASN   9  -7.024   2.439   3.541
   63    HB3  ASN   9          1HB       ASN   9  -5.596   3.289   4.120
   64   HD21  ASN   9          1HD2      ASN   9  -8.919   4.529   3.563
   65   HD22  ASN   9          2HD2      ASN   9  -9.155   5.043   5.156
   66    H    CYS  10           H        CYS  10  -4.203   3.577   1.883
   67    HA   CYS  10           HA       CYS  10  -2.837   5.914   2.870
   68    HB2  CYS  10          2HB       CYS  10  -1.898   3.626   2.816
   69    HB3  CYS  10          1HB       CYS  10  -1.940   3.660   1.055
   70    H    MET  11           H        MET  11  -2.410   4.652  -0.413
   71    HA   MET  11           HA       MET  11  -1.670   6.887  -1.789
   72    HB2  MET  11          2HB       MET  11  -3.478   4.585  -2.439
   73    HB3  MET  11          1HB       MET  11  -3.179   5.824  -3.655
   74    HG2  MET  11          2HG       MET  11  -0.863   4.599  -2.177
   75    HG3  MET  11          1HG       MET  11  -1.589   3.751  -3.540
   76    HE1  MET  11          1HE       MET  11   0.924   5.574  -2.362
   77    HE2  MET  11          2HE       MET  11   0.391   7.240  -2.585
   78    HE3  MET  11          3HE       MET  11   1.635   6.571  -3.639
   79    H    ASN  12           H        ASN  12  -5.106   5.939  -1.751
   80    HA   ASN  12           HA       ASN  12  -6.322   8.185  -2.766
   81    HB2  ASN  12          2HB       ASN  12  -7.295   6.009  -1.830
   82    HB3  ASN  12          1HB       ASN  12  -7.268   6.794  -0.251
   83   HD21  ASN  12          1HD2      ASN  12  -9.021   8.145   0.246
   84   HD22  ASN  12          2HD2      ASN  12 -10.185   8.658  -0.877
   85    H    SER  13           H        SER  13  -5.249   7.791   0.608
   86    HA   SER  13           HA       SER  13  -4.427  10.437   1.032
   87    HB2  SER  13          2HB       SER  13  -6.428  11.510   0.881
   88    HB3  SER  13          1HB       SER  13  -7.327   9.997   0.975
   89    HG   SER  13           HG       SER  13  -6.429  11.703   3.013
   90    H    GLY  14           H        GLY  14  -2.948   9.363   2.428
   91    HA2  GLY  14          2HA       GLY  14  -3.638   9.132   5.148
   92    HA3  GLY  14          1HA       GLY  14  -3.641   7.514   4.446
   93    H    GLY  15           H        GLY  15  -1.530   8.148   2.509
   94    HA2  GLY  15          2HA       GLY  15   0.767   7.941   4.384
   95    HA3  GLY  15          1HA       GLY  15   0.781   7.454   2.685
   96    H    GLY  16           H        GLY  16   0.094   9.529   1.239
   97    HA2  GLY  16          2HA       GLY  16   0.752  11.617   0.432
   98    HA3  GLY  16          1HA       GLY  16   0.944  12.098   2.118
   99    H    LEU  17           H        LEU  17   2.661   9.378   0.699
  100    HA   LEU  17           HA       LEU  17   5.186  10.985   0.809
  101    HB2  LEU  17          2HB       LEU  17   5.722   8.220   1.297
  102    HB3  LEU  17          1HB       LEU  17   5.973   9.580   2.383
  103    HG   LEU  17           HG       LEU  17   3.370   9.308   2.803
  104   HD11  LEU  17          1HD1      LEU  17   2.879   6.797   2.782
  105   HD12  LEU  17          2HD1      LEU  17   4.262   6.640   1.702
  106   HD13  LEU  17          3HD1      LEU  17   2.868   7.600   1.213
  107   HD21  LEU  17          1HD2      LEU  17   5.730   8.520   4.090
  108   HD22  LEU  17          2HD2      LEU  17   4.672   7.110   4.172
  109   HD23  LEU  17          3HD2      LEU  17   4.129   8.659   4.818
  110    H    SER  18           H        SER  18   4.393   7.659  -0.152
  111    HA   SER  18           HA       SER  18   5.061   8.318  -2.980
  112    HB2  SER  18          2HB       SER  18   6.677   6.858  -1.026
  113    HB3  SER  18          1HB       SER  18   6.390   5.933  -2.492
  114    HG   SER  18           HG       SER  18   7.080   7.846  -3.646
  115    H    PHE  19           H        PHE  19   5.068   5.842  -4.042
  116    HA   PHE  19           HA       PHE  19   2.357   4.741  -3.381
  117    HB2  PHE  19          2HB       PHE  19   2.593   5.820  -5.573
  118    HB3  PHE  19          1HB       PHE  19   3.998   4.826  -5.928
  119    HD1  PHE  19          1HD       PHE  19   0.530   5.132  -6.391
  120    HD2  PHE  19          2HD       PHE  19   3.571   2.187  -5.669
  121    HE1  PHE  19          1HE       PHE  19  -0.960   3.371  -7.298
  122    HE2  PHE  19          2HE       PHE  19   2.081   0.428  -6.575
  123    HZ   PHE  19           HZ       PHE  19  -0.184   1.018  -7.389
  124    H    ILE  20           H        ILE  20   5.415   3.700  -4.867
  125    HA   ILE  20           HA       ILE  20   5.157   0.930  -4.513
  126    HB   ILE  20           HB       ILE  20   7.765   2.282  -3.844
  127   HG12  ILE  20          2HG1      ILE  20   7.816   2.227  -6.581
  128   HG13  ILE  20          1HG1      ILE  20   6.150   2.725  -6.279
  129   HG21  ILE  20          1HG2      ILE  20   8.231   0.061  -4.081
  130   HG22  ILE  20          2HG2      ILE  20   8.257   0.465  -5.797
  131   HG23  ILE  20          3HG2      ILE  20   6.807  -0.237  -5.078
  132   HD11  ILE  20          1HD1      ILE  20   8.660   4.190  -5.801
  133   HD12  ILE  20          2HD1      ILE  20   7.530   4.241  -4.449
  134   HD13  ILE  20          3HD1      ILE  20   7.025   4.808  -6.041
  135    H    GLN  21           H        GLN  21   5.969   3.432  -2.177
  136    HA   GLN  21           HA       GLN  21   6.821   1.861   0.008
  137    HB2  GLN  21          2HB       GLN  21   5.285   4.439  -0.328
  138    HB3  GLN  21          1HB       GLN  21   5.632   3.813   1.285
  139    HG2  GLN  21          2HG       GLN  21   7.885   3.946  -0.675
  140    HG3  GLN  21          1HG       GLN  21   7.328   5.457   0.046
  141   HE21  GLN  21          1HE2      GLN  21   9.637   3.172   0.502
  142   HE22  GLN  21          2HE2      GLN  21   9.774   3.214   2.193
  143    H    CYS  22           H        CYS  22   3.583   3.309  -0.005
  144    HA   CYS  22           HA       CYS  22   2.380   1.325   1.646
  145    HB2  CYS  22          2HB       CYS  22   1.553   3.563  -0.141
  146    HB3  CYS  22          1HB       CYS  22   0.298   2.402   0.302
  147    H    LYS  23           H        LYS  23   2.773   1.537  -1.883
  148    HA   LYS  23           HA       LYS  23   0.895  -0.318  -2.802
  149    HB2  LYS  23          2HB       LYS  23   2.376   0.893  -4.275
  150    HB3  LYS  23          1HB       LYS  23   3.797   0.145  -3.543
  151    HG2  LYS  23          2HG       LYS  23   3.113  -0.878  -5.749
  152    HG3  LYS  23          1HG       LYS  23   3.193  -2.024  -4.411
  153    HD2  LYS  23          2HD       LYS  23   0.747  -1.787  -4.077
  154    HD3  LYS  23          1HD       LYS  23   0.679  -0.686  -5.455
  155    HE2  LYS  23          2HE       LYS  23   1.484  -3.615  -5.500
  156    HE3  LYS  23          1HE       LYS  23   0.079  -2.872  -6.290
  157    HZ1  LYS  23          1HZ       LYS  23   1.873  -1.329  -7.315
  158    HZ2  LYS  23          2HZ       LYS  23   1.612  -2.866  -7.990
  159    HZ3  LYS  23          3HZ       LYS  23   2.933  -2.602  -6.955
  160    H    THR  24           H        THR  24   3.690  -0.890  -0.786
  161    HA   THR  24           HA       THR  24   2.973  -3.780  -0.659
  162    HB   THR  24           HB       THR  24   5.858  -3.283  -0.674
  163    HG1  THR  24          1HG       THR  24   5.406  -1.699  -2.144
  164   HG21  THR  24          1HG2      THR  24   3.878  -5.207  -1.650
  165   HG22  THR  24          2HG2      THR  24   5.547  -5.471  -1.147
  166   HG23  THR  24          3HG2      THR  24   5.196  -4.938  -2.791
  167    H    MET  25           H        MET  25   4.784  -1.049   0.705
  168    HA   MET  25           HA       MET  25   5.843  -2.050   3.043
  169    HB2  MET  25          2HB       MET  25   4.310   0.493   2.469
  170    HB3  MET  25          1HB       MET  25   5.155   0.230   3.993
  171    HG2  MET  25          2HG       MET  25   6.590  -0.177   1.379
  172    HG3  MET  25          1HG       MET  25   6.424   1.441   2.061
  173    HE1  MET  25          1HE       MET  25   8.365   2.356   3.097
  174    HE2  MET  25          2HE       MET  25   8.917   1.777   4.667
  175    HE3  MET  25          3HE       MET  25   7.212   2.141   4.421
  176    H    CYS  26           H        CYS  26   2.729  -0.376   3.327
  177    HA   CYS  26           HA       CYS  26   1.859  -1.556   5.702
  178    HB2  CYS  26          2HB       CYS  26   0.704   0.299   4.692
  179    HB3  CYS  26          1HB       CYS  26   0.355  -0.635   3.237
  180    H    TYR  27           H        TYR  27   1.927  -3.746   6.063
  181    HA   TYR  27           HA       TYR  27   0.965  -5.598   3.926
  182    HB2  TYR  27          2HB       TYR  27   3.250  -5.707   5.122
  183    HB3  TYR  27          1HB       TYR  27   2.345  -6.270   6.531
  184    HD1  TYR  27          1HD       TYR  27   2.488  -6.940   2.831
  185    HD2  TYR  27          2HD       TYR  27   2.144  -8.570   6.792
  186    HE1  TYR  27          1HE       TYR  27   2.441  -9.232   1.885
  187    HE2  TYR  27          2HE       TYR  27   2.096 -10.860   5.845
  188    HH   TYR  27           HH       TYR  27   2.478 -12.083   3.979
  Start of MODEL   15
    1    H1   GLY   1          1HT       GLY   1  -4.731  -8.556   2.721
    2    H2   GLY   1          2HT       GLY   1  -6.060  -9.599   2.905
    3    H3   GLY   1          3HT       GLY   1  -5.021  -9.302   4.216
    4    HA2  GLY   1          2HA       GLY   1  -6.919  -7.410   2.948
    5    HA3  GLY   1          1HA       GLY   1  -6.964  -8.030   4.599
    6    H    GLY   2           H        GLY   2  -4.232  -6.758   2.678
    7    HA2  GLY   2          2HA       GLY   2  -3.987  -4.547   4.665
    8    HA3  GLY   2          1HA       GLY   2  -2.582  -5.545   4.290
    9    H    LEU   3           H        LEU   3  -2.460  -5.806   1.671
   10    HA   LEU   3           HA       LEU   3  -1.592  -3.313   0.643
   11    HB2  LEU   3          2HB       LEU   3  -2.512  -5.882  -0.677
   12    HB3  LEU   3          1HB       LEU   3  -1.678  -4.589  -1.540
   13    HG   LEU   3           HG       LEU   3  -0.377  -5.449   0.971
   14   HD11  LEU   3          1HD1      LEU   3   0.250  -7.583   0.343
   15   HD12  LEU   3          2HD1      LEU   3   0.055  -7.248  -1.377
   16   HD13  LEU   3          3HD1      LEU   3  -1.362  -7.537  -0.368
   17   HD21  LEU   3          1HD2      LEU   3   1.553  -5.495  -0.822
   18   HD22  LEU   3          2HD2      LEU   3   0.884  -3.949  -0.302
   19   HD23  LEU   3          3HD2      LEU   3   0.371  -4.661  -1.832
   20    H    GLY   4           H        GLY   4  -4.571  -5.108  -0.160
   21    HA2  GLY   4          2HA       GLY   4  -5.799  -3.371  -1.903
   22    HA3  GLY   4          1HA       GLY   4  -6.712  -4.277  -0.696
   23    H    ARG   5           H        ARG   5  -6.133  -3.175   1.649
   24    HA   ARG   5           HA       ARG   5  -7.433  -0.574   1.539
   25    HB2  ARG   5          2HB       ARG   5  -6.234  -2.333   3.684
   26    HB3  ARG   5          1HB       ARG   5  -6.940  -0.762   4.062
   27    HG2  ARG   5          2HG       ARG   5  -8.329  -3.133   2.785
   28    HG3  ARG   5          1HG       ARG   5  -8.670  -2.419   4.362
   29    HD2  ARG   5          2HD       ARG   5 -10.295  -1.281   3.203
   30    HD3  ARG   5          1HD       ARG   5  -8.945  -0.234   2.722
   31    HE   ARG   5           HE       ARG   5  -9.481  -2.666   1.093
   32   HH11  ARG   5          1HH1      ARG   5  -8.377  -1.869  -0.922
   33   HH12  ARG   5          2HH1      ARG   5  -9.004  -0.381  -1.548
   34   HH21  ARG   5          1HH2      ARG   5 -10.770   0.397   1.331
   35   HH22  ARG   5          2HH2      ARG   5 -10.361   0.897  -0.276
   36    H    CYS   6           H        CYS   6  -4.129  -1.707   2.167
   37    HA   CYS   6           HA       CYS   6  -2.861   0.571   3.127
   38    HB2  CYS   6          2HB       CYS   6  -2.213  -1.762   1.475
   39    HB3  CYS   6          1HB       CYS   6  -1.169  -0.384   1.129
   40    H    ILE   7           H        ILE   7  -2.359  -0.043  -0.302
   41    HA   ILE   7           HA       ILE   7  -1.937   2.511  -1.219
   42    HB   ILE   7           HB       ILE   7  -3.462   0.194  -2.418
   43   HG12  ILE   7          2HG1      ILE   7  -0.997   0.404  -3.607
   44   HG13  ILE   7          1HG1      ILE   7  -0.679   0.882  -1.944
   45   HG21  ILE   7          1HG2      ILE   7  -3.791   1.364  -4.314
   46   HG22  ILE   7          2HG2      ILE   7  -2.102   1.867  -4.339
   47   HG23  ILE   7          3HG2      ILE   7  -3.290   2.811  -3.442
   48   HD11  ILE   7          1HD1      ILE   7  -2.438  -1.463  -2.208
   49   HD12  ILE   7          2HD1      ILE   7  -1.059  -1.209  -1.138
   50   HD13  ILE   7          3HD1      ILE   7  -0.798  -1.719  -2.806
   51    H    TYR   8           H        TYR   8  -5.175   0.980  -0.903
   52    HA   TYR   8           HA       TYR   8  -6.822   2.988  -1.882
   53    HB2  TYR   8          2HB       TYR   8  -7.791   0.992  -1.045
   54    HB3  TYR   8          1HB       TYR   8  -7.003   1.169   0.521
   55    HD1  TYR   8          1HD       TYR   8  -9.181   3.308  -1.674
   56    HD2  TYR   8          2HD       TYR   8  -8.445   1.730   2.253
   57    HE1  TYR   8          1HE       TYR   8 -11.160   4.528  -0.813
   58    HE2  TYR   8          2HE       TYR   8 -10.425   2.950   3.114
   59    HH   TYR   8           HH       TYR   8 -12.787   3.925   1.593
   60    H    ASN   9           H        ASN   9  -6.428   2.810   1.634
   61    HA   ASN   9           HA       ASN   9  -6.959   5.564   2.071
   62    HB2  ASN   9          2HB       ASN   9  -6.647   3.230   3.532
   63    HB3  ASN   9          1HB       ASN   9  -5.299   4.228   4.078
   64   HD21  ASN   9          1HD2      ASN   9  -8.780   4.803   3.256
   65   HD22  ASN   9          2HD2      ASN   9  -9.091   5.752   4.629
   66    H    CYS  10           H        CYS  10  -3.956   3.865   1.372
   67    HA   CYS  10           HA       CYS  10  -2.214   5.992   2.257
   68    HB2  CYS  10          2HB       CYS  10  -1.871   3.412   1.942
   69    HB3  CYS  10          1HB       CYS  10  -1.482   3.860   0.282
   70    H    MET  11           H        MET  11  -2.653   4.652  -1.004
   71    HA   MET  11           HA       MET  11  -1.512   6.849  -2.397
   72    HB2  MET  11          2HB       MET  11  -3.404   4.615  -3.063
   73    HB3  MET  11          1HB       MET  11  -2.900   5.773  -4.292
   74    HG2  MET  11          2HG       MET  11  -0.852   4.392  -2.565
   75    HG3  MET  11          1HG       MET  11  -1.504   3.601  -3.999
   76    HE1  MET  11          1HE       MET  11   0.575   5.856  -2.340
   77    HE2  MET  11          2HE       MET  11   0.189   7.385  -3.127
   78    HE3  MET  11          3HE       MET  11   1.690   6.550  -3.525
   79    H    ASN  12           H        ASN  12  -4.962   6.004  -1.994
   80    HA   ASN  12           HA       ASN  12  -6.266   8.035  -3.290
   81    HB2  ASN  12          2HB       ASN  12  -7.309   6.245  -1.952
   82    HB3  ASN  12          1HB       ASN  12  -6.790   7.050  -0.471
   83   HD21  ASN  12          1HD2      ASN  12  -9.069   7.351   0.174
   84   HD22  ASN  12          2HD2      ASN  12 -10.029   8.533  -0.574
   85    H    SER  13           H        SER  13  -5.722   8.464   0.201
   86    HA   SER  13           HA       SER  13  -4.193  10.800   0.222
   87    HB2  SER  13          2HB       SER  13  -6.320  12.396   0.457
   88    HB3  SER  13          1HB       SER  13  -5.630  12.031  -1.122
   89    HG   SER  13           HG       SER  13  -7.595  11.361  -1.506
   90    H    GLY  14           H        GLY  14  -3.614  10.159   2.321
   91    HA2  GLY  14          2HA       GLY  14  -5.096  11.042   4.521
   92    HA3  GLY  14          1HA       GLY  14  -5.454   9.329   4.322
   93    H    GLY  15           H        GLY  15  -3.134   8.212   3.605
   94    HA2  GLY  15          2HA       GLY  15  -0.935   9.183   5.299
   95    HA3  GLY  15          1HA       GLY  15  -1.670   7.663   5.823
   96    H    GLY  16           H        GLY  16   0.149   9.204   3.227
   97    HA2  GLY  16          2HA       GLY  16   1.497   6.757   2.599
   98    HA3  GLY  16          1HA       GLY  16   0.313   7.162   1.357
   99    H    LEU  17           H        LEU  17   3.259   8.249   2.959
  100    HA   LEU  17           HA       LEU  17   3.677  10.697   1.603
  101    HB2  LEU  17          2HB       LEU  17   6.099  10.125   2.089
  102    HB3  LEU  17          1HB       LEU  17   5.008  10.043   3.474
  103    HG   LEU  17           HG       LEU  17   4.889   7.519   2.211
  104   HD11  LEU  17          1HD1      LEU  17   7.018   8.215   1.108
  105   HD12  LEU  17          2HD1      LEU  17   7.218   6.830   2.182
  106   HD13  LEU  17          3HD1      LEU  17   7.732   8.434   2.705
  107   HD21  LEU  17          1HD2      LEU  17   5.023   6.928   4.386
  108   HD22  LEU  17          2HD2      LEU  17   5.169   8.647   4.753
  109   HD23  LEU  17          3HD2      LEU  17   6.617   7.663   4.551
  110    H    SER  18           H        SER  18   3.745   7.465   0.394
  111    HA   SER  18           HA       SER  18   4.485   8.459  -2.292
  112    HB2  SER  18          2HB       SER  18   6.298   7.155  -0.468
  113    HB3  SER  18          1HB       SER  18   6.058   6.148  -1.890
  114    HG   SER  18           HG       SER  18   6.839   7.726  -3.152
  115    H    PHE  19           H        PHE  19   4.870   6.031  -3.517
  116    HA   PHE  19           HA       PHE  19   2.216   4.695  -3.137
  117    HB2  PHE  19          2HB       PHE  19   2.785   5.919  -5.275
  118    HB3  PHE  19          1HB       PHE  19   4.070   4.741  -5.534
  119    HD1  PHE  19          1HD       PHE  19   1.587   2.996  -3.836
  120    HD2  PHE  19          2HD       PHE  19   2.397   4.687  -7.701
  121    HE1  PHE  19          1HE       PHE  19  -0.041   1.433  -4.862
  122    HE2  PHE  19          2HE       PHE  19   0.769   3.124  -8.725
  123    HZ   PHE  19           HZ       PHE  19  -0.451   1.497  -7.306
  124    H    ILE  20           H        ILE  20   5.539   3.957  -4.174
  125    HA   ILE  20           HA       ILE  20   5.383   1.121  -3.952
  126    HB   ILE  20           HB       ILE  20   7.879   2.595  -3.153
  127   HG12  ILE  20          2HG1      ILE  20   8.016   2.641  -5.895
  128   HG13  ILE  20          1HG1      ILE  20   6.327   3.072  -5.617
  129   HG21  ILE  20          1HG2      ILE  20   7.092   0.078  -4.498
  130   HG22  ILE  20          2HG2      ILE  20   8.479   0.419  -3.463
  131   HG23  ILE  20          3HG2      ILE  20   8.515   0.879  -5.165
  132   HD11  ILE  20          1HD1      ILE  20   8.663   4.702  -5.248
  133   HD12  ILE  20          2HD1      ILE  20   7.873   4.475  -3.688
  134   HD13  ILE  20          3HD1      ILE  20   6.970   5.150  -5.044
  135    H    GLN  21           H        GLN  21   5.723   3.631  -1.539
  136    HA   GLN  21           HA       GLN  21   6.675   2.006   0.629
  137    HB2  GLN  21          2HB       GLN  21   4.956   4.508   0.608
  138    HB3  GLN  21          1HB       GLN  21   5.919   3.931   1.969
  139    HG2  GLN  21          2HG       GLN  21   7.140   4.529  -0.729
  140    HG3  GLN  21          1HG       GLN  21   6.990   5.753   0.531
  141   HE21  GLN  21          1HE2      GLN  21   9.382   4.094  -0.677
  142   HE22  GLN  21          2HE2      GLN  21  10.212   3.579   0.711
  143    H    CYS  22           H        CYS  22   3.610   2.284  -0.928
  144    HA   CYS  22           HA       CYS  22   2.334   0.682   1.268
  145    HB2  CYS  22          2HB       CYS  22   1.497   3.070  -0.319
  146    HB3  CYS  22          1HB       CYS  22   0.246   1.895   0.093
  147    H    LYS  23           H        LYS  23   2.566   1.310  -2.215
  148    HA   LYS  23           HA       LYS  23   0.736  -0.364  -3.379
  149    HB2  LYS  23          2HB       LYS  23   2.333   0.890  -4.664
  150    HB3  LYS  23          1HB       LYS  23   3.684   0.005  -3.955
  151    HG2  LYS  23          2HG       LYS  23   3.001  -0.725  -6.302
  152    HG3  LYS  23          1HG       LYS  23   3.082  -2.011  -5.098
  153    HD2  LYS  23          2HD       LYS  23   0.780  -2.248  -4.991
  154    HD3  LYS  23          1HD       LYS  23   0.481  -0.576  -5.471
  155    HE2  LYS  23          2HE       LYS  23  -0.096  -2.268  -7.264
  156    HE3  LYS  23          1HE       LYS  23   1.118  -1.080  -7.780
  157    HZ1  LYS  23          1HZ       LYS  23   1.791  -3.397  -8.248
  158    HZ2  LYS  23          2HZ       LYS  23   1.752  -3.726  -6.581
  159    HZ3  LYS  23          3HZ       LYS  23   2.864  -2.601  -7.204
  160    H    THR  24           H        THR  24   3.918  -1.497  -2.196
  161    HA   THR  24           HA       THR  24   2.689  -4.199  -1.792
  162    HB   THR  24           HB       THR  24   5.313  -4.664  -2.559
  163    HG1  THR  24          1HG       THR  24   5.914  -3.058  -3.738
  164   HG21  THR  24          1HG2      THR  24   2.979  -4.514  -4.473
  165   HG22  THR  24          2HG2      THR  24   3.128  -5.779  -3.253
  166   HG23  THR  24          3HG2      THR  24   4.347  -5.625  -4.519
  167    H    MET  25           H        MET  25   4.412  -1.643  -0.414
  168    HA   MET  25           HA       MET  25   6.268  -3.071   1.239
  169    HB2  MET  25          2HB       MET  25   5.212  -0.372   0.842
  170    HB3  MET  25          1HB       MET  25   5.647  -0.702   2.519
  171    HG2  MET  25          2HG       MET  25   7.641  -1.735   0.665
  172    HG3  MET  25          1HG       MET  25   7.406   0.001   0.469
  173    HE1  MET  25          1HE       MET  25   9.368   1.561   2.900
  174    HE2  MET  25          2HE       MET  25   7.618   1.762   2.935
  175    HE3  MET  25          3HE       MET  25   8.435   1.495   1.398
  176    H    CYS  26           H        CYS  26   3.815  -1.074   2.765
  177    HA   CYS  26           HA       CYS  26   3.458  -2.564   5.079
  178    HB2  CYS  26          2HB       CYS  26   1.259  -1.408   5.183
  179    HB3  CYS  26          1HB       CYS  26   2.538  -0.325   4.640
  180    H    TYR  27           H        TYR  27   3.174  -4.780   5.029
  181    HA   TYR  27           HA       TYR  27   1.559  -6.131   3.019
  182    HB2  TYR  27          2HB       TYR  27   3.529  -7.136   4.072
  183    HB3  TYR  27          1HB       TYR  27   2.775  -6.992   5.664
  184    HD1  TYR  27          1HD       TYR  27   2.511  -9.262   6.318
  185    HD2  TYR  27          2HD       TYR  27   1.154  -7.968   2.453
  186    HE1  TYR  27          1HE       TYR  27   1.382 -11.445   5.983
  187    HE2  TYR  27          2HE       TYR  27   0.026 -10.150   2.118
  188    HH   TYR  27           HH       TYR  27  -0.912 -12.059   4.119
  Start of MODEL   16
    1    H1   GLY   1          1HT       GLY   1  -4.889 -12.054   2.530
    2    H2   GLY   1          2HT       GLY   1  -3.194 -11.949   2.575
    3    H3   GLY   1          3HT       GLY   1  -3.972 -12.591   1.208
    4    HA2  GLY   1          2HA       GLY   1  -3.876 -10.578   0.309
    5    HA3  GLY   1          1HA       GLY   1  -5.094 -10.115   1.498
    6    H    GLY   2           H        GLY   2  -3.832  -7.989   1.167
    7    HA2  GLY   2          2HA       GLY   2  -2.051  -7.656   3.461
    8    HA3  GLY   2          1HA       GLY   2  -1.247  -7.424   1.907
    9    H    LEU   3           H        LEU   3  -2.550  -5.914   0.373
   10    HA   LEU   3           HA       LEU   3  -2.616  -3.303   1.283
   11    HB2  LEU   3          2HB       LEU   3  -4.630  -4.460  -0.662
   12    HB3  LEU   3          1HB       LEU   3  -3.944  -2.837  -0.671
   13    HG   LEU   3           HG       LEU   3  -2.621  -5.443  -1.412
   14   HD11  LEU   3          1HD1      LEU   3  -3.560  -3.043  -2.746
   15   HD12  LEU   3          2HD1      LEU   3  -3.034  -4.574  -3.446
   16   HD13  LEU   3          3HD1      LEU   3  -1.849  -3.321  -3.074
   17   HD21  LEU   3          1HD2      LEU   3  -1.409  -3.080  -0.110
   18   HD22  LEU   3          2HD2      LEU   3  -0.606  -3.595  -1.592
   19   HD23  LEU   3          3HD2      LEU   3  -0.790  -4.725  -0.251
   20    H    GLY   4           H        GLY   4  -5.590  -5.247   0.912
   21    HA2  GLY   4          2HA       GLY   4  -7.693  -4.954   1.938
   22    HA3  GLY   4          1HA       GLY   4  -6.719  -4.985   3.407
   23    H    ARG   5           H        ARG   5  -7.554  -2.704   0.795
   24    HA   ARG   5           HA       ARG   5  -8.316  -0.471   0.943
   25    HB2  ARG   5          2HB       ARG   5  -9.461  -1.714   2.979
   26    HB3  ARG   5          1HB       ARG   5  -8.345  -0.730   3.925
   27    HG2  ARG   5          2HG       ARG   5 -10.428   0.494   3.697
   28    HG3  ARG   5          1HG       ARG   5  -9.206   1.295   2.714
   29    HD2  ARG   5          2HD       ARG   5 -10.126  -0.278   0.797
   30    HD3  ARG   5          1HD       ARG   5 -11.568  -0.334   1.826
   31    HE   ARG   5           HE       ARG   5 -11.656   2.137   1.711
   32   HH11  ARG   5          1HH1      ARG   5 -10.488   3.987   0.775
   33   HH12  ARG   5          2HH1      ARG   5  -9.931   3.789  -0.853
   34   HH21  ARG   5          1HH2      ARG   5 -10.487   0.366  -0.911
   35   HH22  ARG   5          2HH2      ARG   5  -9.924   1.738  -1.803
   36    H    CYS   6           H        CYS   6  -5.420  -1.605   2.079
   37    HA   CYS   6           HA       CYS   6  -4.302   0.564   3.551
   38    HB2  CYS   6          2HB       CYS   6  -3.346  -1.693   1.861
   39    HB3  CYS   6          1HB       CYS   6  -2.187  -0.406   2.190
   40    H    ILE   7           H        ILE   7  -3.072  -0.051   0.301
   41    HA   ILE   7           HA       ILE   7  -2.195   2.429  -0.397
   42    HB   ILE   7           HB       ILE   7  -3.648   0.319  -1.977
   43   HG12  ILE   7          2HG1      ILE   7  -1.031   0.338  -2.708
   44   HG13  ILE   7          1HG1      ILE   7  -0.935   0.847  -1.029
   45   HG21  ILE   7          1HG2      ILE   7  -3.867   2.063  -3.492
   46   HG22  ILE   7          2HG2      ILE   7  -2.238   1.511  -3.887
   47   HG23  ILE   7          3HG2      ILE   7  -2.465   2.922  -2.852
   48   HD11  ILE   7          1HD1      ILE   7  -2.813  -1.344  -1.370
   49   HD12  ILE   7          2HD1      ILE   7  -1.422  -1.225  -0.291
   50   HD13  ILE   7          3HD1      ILE   7  -1.206  -1.779  -1.951
   51    H    TYR   8           H        TYR   8  -5.256   1.566  -1.963
   52    HA   TYR   8           HA       TYR   8  -6.315   3.961  -2.626
   53    HB2  TYR   8          2HB       TYR   8  -8.424   2.757  -1.127
   54    HB3  TYR   8          1HB       TYR   8  -8.178   2.721  -2.865
   55    HD1  TYR   8          1HD       TYR   8  -6.599   1.133   0.154
   56    HD2  TYR   8          2HD       TYR   8  -8.198   0.615  -3.794
   57    HE1  TYR   8          1HE       TYR   8  -6.116  -1.286   0.280
   58    HE2  TYR   8          2HE       TYR   8  -7.716  -1.804  -3.670
   59    HH   TYR   8           HH       TYR   8  -5.681  -3.187  -1.833
   60    H    ASN   9           H        ASN   9  -7.396   2.803   0.548
   61    HA   ASN   9           HA       ASN   9  -8.145   5.243   1.594
   62    HB2  ASN   9          2HB       ASN   9  -8.067   2.690   2.426
   63    HB3  ASN   9          1HB       ASN   9  -6.775   3.357   3.423
   64   HD21  ASN   9          1HD2      ASN   9  -9.836   4.866   2.293
   65   HD22  ASN   9          2HD2      ASN   9 -10.409   5.220   3.847
   66    H    CYS  10           H        CYS  10  -4.897   3.847   1.483
   67    HA   CYS  10           HA       CYS  10  -3.684   5.926   3.094
   68    HB2  CYS  10          2HB       CYS  10  -2.773   3.719   3.159
   69    HB3  CYS  10          1HB       CYS  10  -2.719   3.624   1.403
   70    H    MET  11           H        MET  11  -2.890   4.894  -0.179
   71    HA   MET  11           HA       MET  11  -1.590   7.270  -0.961
   72    HB2  MET  11          2HB       MET  11  -2.976   5.145  -2.595
   73    HB3  MET  11          1HB       MET  11  -1.666   6.190  -3.146
   74    HG2  MET  11          2HG       MET  11  -1.537   4.054  -1.002
   75    HG3  MET  11          1HG       MET  11  -0.657   4.101  -2.523
   76    HE1  MET  11          1HE       MET  11   1.219   7.582  -1.903
   77    HE2  MET  11          2HE       MET  11  -0.473   7.387  -2.348
   78    HE3  MET  11          3HE       MET  11   0.753   6.400  -3.133
   79    H    ASN  12           H        ASN  12  -4.871   6.142  -1.865
   80    HA   ASN  12           HA       ASN  12  -5.752   8.106  -3.562
   81    HB2  ASN  12          2HB       ASN  12  -7.033   6.169  -2.568
   82    HB3  ASN  12          1HB       ASN  12  -7.316   7.169  -1.143
   83   HD21  ASN  12          1HD2      ASN  12  -8.361   9.391  -1.648
   84   HD22  ASN  12          2HD2      ASN  12  -9.522   9.433  -2.886
   85    H    SER  13           H        SER  13  -5.045   8.567  -0.152
   86    HA   SER  13           HA       SER  13  -4.875  11.401  -0.397
   87    HB2  SER  13          2HB       SER  13  -6.980  11.767   1.101
   88    HB3  SER  13          1HB       SER  13  -7.219  11.476  -0.619
   89    HG   SER  13           HG       SER  13  -8.544  10.054   0.363
   90    H    GLY  14           H        GLY  14  -3.133   9.672   0.747
   91    HA2  GLY  14          2HA       GLY  14  -2.760  10.669   3.364
   92    HA3  GLY  14          1HA       GLY  14  -3.450   9.049   3.469
   93    H    GLY  15           H        GLY  15  -1.321  10.078   0.874
   94    HA2  GLY  15          2HA       GLY  15   0.575   7.941   1.657
   95    HA3  GLY  15          1HA       GLY  15   0.555   8.786   0.104
   96    H    GLY  16           H        GLY  16   0.929   9.635   3.556
   97    HA2  GLY  16          2HA       GLY  16   2.233  12.036   3.403
   98    HA3  GLY  16          1HA       GLY  16   2.690  10.817   4.595
   99    H    LEU  17           H        LEU  17   3.535   8.934   2.397
  100    HA   LEU  17           HA       LEU  17   6.131  10.286   1.790
  101    HB2  LEU  17          2HB       LEU  17   6.397   7.493   1.493
  102    HB3  LEU  17          1HB       LEU  17   7.051   8.496   2.780
  103    HG   LEU  17           HG       LEU  17   4.619   8.239   3.799
  104   HD11  LEU  17          1HD1      LEU  17   3.873   5.833   3.241
  105   HD12  LEU  17          2HD1      LEU  17   4.883   5.988   1.803
  106   HD13  LEU  17          3HD1      LEU  17   3.518   7.077   2.042
  107   HD21  LEU  17          1HD2      LEU  17   6.522   5.890   3.801
  108   HD22  LEU  17          2HD2      LEU  17   5.447   6.403   5.101
  109   HD23  LEU  17          3HD2      LEU  17   6.841   7.392   4.669
  110    H    SER  18           H        SER  18   4.774   7.313   0.422
  111    HA   SER  18           HA       SER  18   4.361   8.600  -2.212
  112    HB2  SER  18          2HB       SER  18   6.695   7.071  -1.332
  113    HB3  SER  18          1HB       SER  18   5.981   6.444  -2.812
  114    HG   SER  18           HG       SER  18   6.530   8.221  -3.838
  115    H    PHE  19           H        PHE  19   4.234   6.384  -3.769
  116    HA   PHE  19           HA       PHE  19   1.846   4.955  -2.745
  117    HB2  PHE  19          2HB       PHE  19   1.589   5.738  -4.946
  118    HB3  PHE  19          1HB       PHE  19   3.265   5.402  -5.362
  119    HD1  PHE  19          1HD       PHE  19   0.062   3.683  -4.432
  120    HD2  PHE  19          2HD       PHE  19   3.829   3.432  -6.480
  121    HE1  PHE  19          1HE       PHE  19  -0.586   1.478  -5.361
  122    HE2  PHE  19          2HE       PHE  19   3.182   1.231  -7.410
  123    HZ   PHE  19           HZ       PHE  19   0.971   0.251  -6.852
  124    H    ILE  20           H        ILE  20   4.820   4.060  -4.442
  125    HA   ILE  20           HA       ILE  20   4.856   1.324  -4.148
  126    HB   ILE  20           HB       ILE  20   7.386   1.662  -3.876
  127   HG12  ILE  20          2HG1      ILE  20   6.570   4.573  -4.067
  128   HG13  ILE  20          1HG1      ILE  20   7.114   3.801  -2.577
  129   HG21  ILE  20          1HG2      ILE  20   6.280   1.529  -6.080
  130   HG22  ILE  20          2HG2      ILE  20   7.604   2.696  -6.108
  131   HG23  ILE  20          3HG2      ILE  20   5.934   3.257  -6.008
  132   HD11  ILE  20          1HD1      ILE  20   8.669   4.606  -4.964
  133   HD12  ILE  20          2HD1      ILE  20   9.097   3.040  -4.273
  134   HD13  ILE  20          3HD1      ILE  20   9.173   4.495  -3.277
  135    H    GLN  21           H        GLN  21   5.275   3.720  -1.620
  136    HA   GLN  21           HA       GLN  21   6.256   2.003   0.458
  137    HB2  GLN  21          2HB       GLN  21   4.655   4.560   0.287
  138    HB3  GLN  21          1HB       GLN  21   4.982   3.818   1.854
  139    HG2  GLN  21          2HG       GLN  21   7.034   4.725  -0.184
  140    HG3  GLN  21          1HG       GLN  21   6.729   5.442   1.399
  141   HE21  GLN  21          1HE2      GLN  21   8.598   3.094  -0.251
  142   HE22  GLN  21          2HE2      GLN  21   9.215   2.292   1.112
  143    H    CYS  22           H        CYS  22   2.990   3.364   0.646
  144    HA   CYS  22           HA       CYS  22   1.801   1.224   2.017
  145    HB2  CYS  22          2HB       CYS  22   0.948   3.508   0.309
  146    HB3  CYS  22          1HB       CYS  22  -0.255   2.236   0.537
  147    H    LYS  23           H        LYS  23   2.408   1.617  -1.464
  148    HA   LYS  23           HA       LYS  23   0.714  -0.422  -2.472
  149    HB2  LYS  23          2HB       LYS  23   1.800   1.106  -3.934
  150    HB3  LYS  23          1HB       LYS  23   3.385   0.732  -3.260
  151    HG2  LYS  23          2HG       LYS  23   2.900  -0.322  -5.521
  152    HG3  LYS  23          1HG       LYS  23   3.391  -1.450  -4.257
  153    HD2  LYS  23          2HD       LYS  23   1.171  -2.211  -3.919
  154    HD3  LYS  23          1HD       LYS  23   0.485  -0.843  -4.795
  155    HE2  LYS  23          2HE       LYS  23   0.370  -2.706  -6.311
  156    HE3  LYS  23          1HE       LYS  23   1.760  -1.745  -6.855
  157    HZ1  LYS  23          1HZ       LYS  23   2.138  -3.796  -4.782
  158    HZ2  LYS  23          2HZ       LYS  23   3.256  -3.186  -5.905
  159    HZ3  LYS  23          3HZ       LYS  23   2.054  -4.276  -6.406
  160    H    THR  24           H        THR  24   4.124  -0.661  -1.410
  161    HA   THR  24           HA       THR  24   3.829  -3.643  -1.413
  162    HB   THR  24           HB       THR  24   6.533  -2.774  -1.099
  163    HG1  THR  24          1HG       THR  24   6.754  -1.272  -2.619
  164   HG21  THR  24          1HG2      THR  24   5.543  -3.584  -3.773
  165   HG22  THR  24          2HG2      THR  24   5.187  -4.697  -2.453
  166   HG23  THR  24          3HG2      THR  24   6.856  -4.256  -2.806
  167    H    MET  25           H        MET  25   4.373  -0.884   0.646
  168    HA   MET  25           HA       MET  25   5.734  -2.128   2.805
  169    HB2  MET  25          2HB       MET  25   3.775   0.169   2.604
  170    HB3  MET  25          1HB       MET  25   4.671  -0.207   4.075
  171    HG2  MET  25          2HG       MET  25   6.181   0.079   1.502
  172    HG3  MET  25          1HG       MET  25   5.642   1.534   2.339
  173    HE1  MET  25          1HE       MET  25   6.991   1.909   5.404
  174    HE2  MET  25          2HE       MET  25   6.380   0.317   5.846
  175    HE3  MET  25          3HE       MET  25   5.434   1.349   4.777
  176    H    CYS  26           H        CYS  26   2.289  -1.233   2.721
  177    HA   CYS  26           HA       CYS  26   1.534  -2.977   4.871
  178    HB2  CYS  26          2HB       CYS  26   0.151  -1.116   4.288
  179    HB3  CYS  26          1HB       CYS  26   0.076  -1.611   2.597
  180    H    TYR  27           H        TYR  27   2.150  -5.119   4.580
  181    HA   TYR  27           HA       TYR  27   1.001  -6.527   2.194
  182    HB2  TYR  27          2HB       TYR  27   3.546  -6.104   2.451
  183    HB3  TYR  27          1HB       TYR  27   3.473  -7.326   3.724
  184    HD1  TYR  27          1HD       TYR  27   3.341  -6.699   0.130
  185    HD2  TYR  27          2HD       TYR  27   2.737  -9.651   3.192
  186    HE1  TYR  27          1HE       TYR  27   3.391  -8.487  -1.587
  187    HE2  TYR  27          2HE       TYR  27   2.786 -11.441   1.475
  188    HH   TYR  27           HH       TYR  27   2.752 -11.871  -0.733
  Start of MODEL   17
    1    H1   GLY   1          1HT       GLY   1  -7.767  -7.540   4.432
    2    H2   GLY   1          2HT       GLY   1  -7.579  -6.767   2.931
    3    H3   GLY   1          3HT       GLY   1  -6.584  -6.341   4.241
    4    HA2  GLY   1          2HA       GLY   1  -6.288  -9.078   3.901
    5    HA3  GLY   1          1HA       GLY   1  -6.185  -8.345   2.300
    6    H    GLY   2           H        GLY   2  -4.994  -5.941   2.752
    7    HA2  GLY   2          2HA       GLY   2  -2.946  -5.545   4.520
    8    HA3  GLY   2          1HA       GLY   2  -2.258  -6.748   3.428
    9    H    LEU   3           H        LEU   3  -2.518  -6.155   1.018
   10    HA   LEU   3           HA       LEU   3  -1.473  -3.432   0.646
   11    HB2  LEU   3          2HB       LEU   3  -2.125  -5.528  -1.436
   12    HB3  LEU   3          1HB       LEU   3  -0.906  -4.258  -1.528
   13    HG   LEU   3           HG       LEU   3  -0.881  -6.683   0.289
   14   HD11  LEU   3          1HD1      LEU   3   0.058  -6.280  -2.320
   15   HD12  LEU   3          2HD1      LEU   3   0.518  -7.589  -1.231
   16   HD13  LEU   3          3HD1      LEU   3   1.488  -6.117  -1.301
   17   HD21  LEU   3          1HD2      LEU   3  -0.037  -4.858   1.596
   18   HD22  LEU   3          2HD2      LEU   3   0.863  -4.208   0.225
   19   HD23  LEU   3          3HD2      LEU   3   1.376  -5.716   0.982
   20    H    GLY   4           H        GLY   4  -4.296  -5.312  -0.435
   21    HA2  GLY   4          2HA       GLY   4  -5.559  -3.564  -2.143
   22    HA3  GLY   4          1HA       GLY   4  -6.458  -4.544  -0.984
   23    H    ARG   5           H        ARG   5  -6.427  -3.586   1.316
   24    HA   ARG   5           HA       ARG   5  -7.642  -1.004   1.289
   25    HB2  ARG   5          2HB       ARG   5  -6.991  -3.132   3.118
   26    HB3  ARG   5          1HB       ARG   5  -6.623  -1.580   3.871
   27    HG2  ARG   5          2HG       ARG   5  -9.021  -2.447   4.164
   28    HG3  ARG   5          1HG       ARG   5  -8.852  -0.792   3.580
   29    HD2  ARG   5          2HD       ARG   5  -8.869  -2.765   1.399
   30    HD3  ARG   5          1HD       ARG   5 -10.373  -2.747   2.342
   31    HE   ARG   5           HE       ARG   5 -10.079  -0.124   2.055
   32   HH11  ARG   5          1HH1      ARG   5 -11.477   0.483   0.202
   33   HH12  ARG   5          2HH1      ARG   5 -10.831   0.126  -1.365
   34   HH21  ARG   5          1HH2      ARG   5  -8.310  -1.923  -0.163
   35   HH22  ARG   5          2HH2      ARG   5  -9.042  -1.230  -1.569
   36    H    CYS   6           H        CYS   6  -4.313  -2.020   1.999
   37    HA   CYS   6           HA       CYS   6  -3.181   0.271   3.092
   38    HB2  CYS   6          2HB       CYS   6  -2.372  -1.962   1.371
   39    HB3  CYS   6          1HB       CYS   6  -1.380  -0.525   1.122
   40    H    ILE   7           H        ILE   7  -2.614  -0.218  -0.354
   41    HA   ILE   7           HA       ILE   7  -2.231   2.371  -1.185
   42    HB   ILE   7           HB       ILE   7  -3.660   0.023  -2.434
   43   HG12  ILE   7          2HG1      ILE   7  -1.206   0.449  -3.631
   44   HG13  ILE   7          1HG1      ILE   7  -0.927   0.831  -1.937
   45   HG21  ILE   7          1HG2      ILE   7  -2.443   1.779  -4.362
   46   HG22  ILE   7          2HG2      ILE   7  -3.628   2.674  -3.414
   47   HG23  ILE   7          3HG2      ILE   7  -4.113   1.221  -4.283
   48   HD11  ILE   7          1HD1      ILE   7  -2.565  -1.536  -2.167
   49   HD12  ILE   7          2HD1      ILE   7  -1.003  -1.345  -1.370
   50   HD13  ILE   7          3HD1      ILE   7  -1.074  -1.735  -3.089
   51    H    TYR   8           H        TYR   8  -5.439   0.752  -1.068
   52    HA   TYR   8           HA       TYR   8  -7.118   2.772  -1.935
   53    HB2  TYR   8          2HB       TYR   8  -7.931   0.615  -1.207
   54    HB3  TYR   8          1HB       TYR   8  -7.359   0.903   0.438
   55    HD1  TYR   8          1HD       TYR   8  -8.785   1.888   2.024
   56    HD2  TYR   8          2HD       TYR   8  -9.658   2.306  -2.161
   57    HE1  TYR   8          1HE       TYR   8 -10.941   2.979   2.583
   58    HE2  TYR   8          2HE       TYR   8 -11.814   3.397  -1.602
   59    HH   TYR   8           HH       TYR   8 -12.529   4.622   1.398
   60    H    ASN   9           H        ASN   9  -6.674   2.357   1.563
   61    HA   ASN   9           HA       ASN   9  -7.410   5.018   2.218
   62    HB2  ASN   9          2HB       ASN   9  -6.262   2.621   3.514
   63    HB3  ASN   9          1HB       ASN   9  -5.952   4.146   4.347
   64   HD21  ASN   9          1HD2      ASN   9  -8.134   5.614   4.324
   65   HD22  ASN   9          2HD2      ASN   9  -9.529   4.780   4.814
   66    H    CYS  10           H        CYS  10  -4.281   3.584   1.436
   67    HA   CYS  10           HA       CYS  10  -2.759   5.863   2.373
   68    HB2  CYS  10          2HB       CYS  10  -2.117   3.359   2.174
   69    HB3  CYS  10          1HB       CYS  10  -1.809   3.729   0.479
   70    H    MET  11           H        MET  11  -2.751   4.465  -0.903
   71    HA   MET  11           HA       MET  11  -1.843   6.681  -2.307
   72    HB2  MET  11          2HB       MET  11  -3.736   4.438  -2.927
   73    HB3  MET  11          1HB       MET  11  -3.364   5.645  -4.156
   74    HG2  MET  11          2HG       MET  11  -1.139   4.312  -2.629
   75    HG3  MET  11          1HG       MET  11  -1.875   3.510  -4.013
   76    HE1  MET  11          1HE       MET  11   1.420   6.322  -3.939
   77    HE2  MET  11          2HE       MET  11   0.639   5.350  -2.694
   78    HE3  MET  11          3HE       MET  11   0.087   6.996  -2.992
   79    H    ASN  12           H        ASN  12  -5.301   5.838  -1.905
   80    HA   ASN  12           HA       ASN  12  -6.489   8.090  -3.028
   81    HB2  ASN  12          2HB       ASN  12  -7.574   6.050  -2.022
   82    HB3  ASN  12          1HB       ASN  12  -7.297   6.754  -0.429
   83   HD21  ASN  12          1HD2      ASN  12  -9.295   7.546   0.275
   84   HD22  ASN  12          2HD2      ASN  12 -10.342   8.497  -0.664
   85    H    SER  13           H        SER  13  -5.352   7.766   0.336
   86    HA   SER  13           HA       SER  13  -4.261  10.310   0.663
   87    HB2  SER  13          2HB       SER  13  -6.412  11.273   1.907
   88    HB3  SER  13          1HB       SER  13  -6.223  11.455   0.165
   89    HG   SER  13           HG       SER  13  -7.660   9.430   1.548
   90    H    GLY  14           H        GLY  14  -2.971   9.453   2.297
   91    HA2  GLY  14          2HA       GLY  14  -4.061   9.160   4.920
   92    HA3  GLY  14          1HA       GLY  14  -3.659   7.585   4.240
   93    H    GLY  15           H        GLY  15  -1.379   7.644   3.123
   94    HA2  GLY  15          2HA       GLY  15   0.516   8.452   5.206
   95    HA3  GLY  15          1HA       GLY  15   0.914   7.569   3.727
   96    H    GLY  16           H        GLY  16  -0.115   9.320   1.806
   97    HA2  GLY  16          2HA       GLY  16   0.491  11.214   0.587
   98    HA3  GLY  16          1HA       GLY  16   0.565  12.040   2.144
   99    H    LEU  17           H        LEU  17   2.556   9.234   1.565
  100    HA   LEU  17           HA       LEU  17   4.956  11.017   1.602
  101    HB2  LEU  17          2HB       LEU  17   5.579   8.243   2.016
  102    HB3  LEU  17          1HB       LEU  17   5.764   9.580   3.141
  103    HG   LEU  17           HG       LEU  17   3.147   9.231   3.455
  104   HD11  LEU  17          1HD1      LEU  17   4.068   6.873   1.956
  105   HD12  LEU  17          2HD1      LEU  17   2.430   7.479   2.197
  106   HD13  LEU  17          3HD1      LEU  17   3.193   6.481   3.435
  107   HD21  LEU  17          1HD2      LEU  17   3.919   7.297   5.132
  108   HD22  LEU  17          2HD2      LEU  17   4.367   8.983   5.393
  109   HD23  LEU  17          3HD2      LEU  17   5.515   7.870   4.648
  110    H    SER  18           H        SER  18   4.066   7.812   0.341
  111    HA   SER  18           HA       SER  18   4.999   8.548  -2.365
  112    HB2  SER  18          2HB       SER  18   6.626   7.245  -0.382
  113    HB3  SER  18          1HB       SER  18   6.348   6.144  -1.727
  114    HG   SER  18           HG       SER  18   6.883   8.118  -3.040
  115    H    PHE  19           H        PHE  19   5.222   6.012  -3.401
  116    HA   PHE  19           HA       PHE  19   2.452   4.927  -3.046
  117    HB2  PHE  19          2HB       PHE  19   3.138   5.961  -5.232
  118    HB3  PHE  19          1HB       PHE  19   4.387   4.728  -5.374
  119    HD1  PHE  19          1HD       PHE  19   1.500   3.466  -3.687
  120    HD2  PHE  19          2HD       PHE  19   3.081   4.309  -7.593
  121    HE1  PHE  19          1HE       PHE  19  -0.142   1.905  -4.690
  122    HE2  PHE  19          2HE       PHE  19   1.439   2.747  -8.593
  123    HZ   PHE  19           HZ       PHE  19  -0.174   1.544  -7.143
  124    H    ILE  20           H        ILE  20   5.713   3.858  -3.972
  125    HA   ILE  20           HA       ILE  20   5.380   1.078  -3.619
  126    HB   ILE  20           HB       ILE  20   7.887   2.435  -2.654
  127   HG12  ILE  20          2HG1      ILE  20   8.276   2.341  -5.364
  128   HG13  ILE  20          1HG1      ILE  20   6.591   2.861  -5.274
  129   HG21  ILE  20          1HG2      ILE  20   7.315  -0.143  -3.127
  130   HG22  ILE  20          2HG2      ILE  20   8.922   0.527  -3.405
  131   HG23  ILE  20          3HG2      ILE  20   7.805   0.325  -4.755
  132   HD11  ILE  20          1HD1      ILE  20   9.036   4.203  -4.128
  133   HD12  ILE  20          2HD1      ILE  20   7.432   4.534  -3.472
  134   HD13  ILE  20          3HD1      ILE  20   7.784   4.892  -5.164
  135    H    GLN  21           H        GLN  21   5.599   3.645  -1.265
  136    HA   GLN  21           HA       GLN  21   6.319   2.099   1.033
  137    HB2  GLN  21          2HB       GLN  21   4.691   4.630   0.656
  138    HB3  GLN  21          1HB       GLN  21   5.287   4.064   2.218
  139    HG2  GLN  21          2HG       GLN  21   7.520   3.949   0.543
  140    HG3  GLN  21          1HG       GLN  21   6.718   5.456   0.105
  141   HE21  GLN  21          1HE2      GLN  21   9.179   4.600   1.944
  142   HE22  GLN  21          2HE2      GLN  21   8.951   5.578   3.312
  143    H    CYS  22           H        CYS  22   3.316   2.484  -0.711
  144    HA   CYS  22           HA       CYS  22   1.937   0.802   1.349
  145    HB2  CYS  22          2HB       CYS  22   1.112   3.184  -0.300
  146    HB3  CYS  22          1HB       CYS  22  -0.105   2.058   0.300
  147    H    LYS  23           H        LYS  23   2.413   1.519  -2.089
  148    HA   LYS  23           HA       LYS  23   0.636  -0.040  -3.455
  149    HB2  LYS  23          2HB       LYS  23   2.439   1.142  -4.535
  150    HB3  LYS  23          1HB       LYS  23   3.648   0.148  -3.720
  151    HG2  LYS  23          2HG       LYS  23   3.382  -0.644  -6.010
  152    HG3  LYS  23          1HG       LYS  23   2.733  -1.854  -4.902
  153    HD2  LYS  23          2HD       LYS  23   0.484  -0.509  -5.252
  154    HD3  LYS  23          1HD       LYS  23   1.274   0.003  -6.742
  155    HE2  LYS  23          2HE       LYS  23   1.153  -2.918  -5.965
  156    HE3  LYS  23          1HE       LYS  23  -0.151  -2.143  -6.888
  157    HZ1  LYS  23          1HZ       LYS  23   2.669  -1.768  -7.666
  158    HZ2  LYS  23          2HZ       LYS  23   1.270  -1.601  -8.614
  159    HZ3  LYS  23          3HZ       LYS  23   1.822  -3.147  -8.176
  160    H    THR  24           H        THR  24   3.651  -1.373  -2.075
  161    HA   THR  24           HA       THR  24   2.225  -3.957  -1.621
  162    HB   THR  24           HB       THR  24   3.346  -4.045  -3.806
  163    HG1  THR  24          1HG       THR  24   3.431  -5.952  -2.716
  164   HG21  THR  24          1HG2      THR  24   5.195  -2.789  -4.074
  165   HG22  THR  24          2HG2      THR  24   6.073  -4.013  -3.156
  166   HG23  THR  24          3HG2      THR  24   5.392  -2.611  -2.330
  167    H    MET  25           H        MET  25   4.040  -1.529  -0.286
  168    HA   MET  25           HA       MET  25   5.992  -2.976   1.234
  169    HB2  MET  25          2HB       MET  25   4.878  -0.286   0.960
  170    HB3  MET  25          1HB       MET  25   5.382  -0.654   2.609
  171    HG2  MET  25          2HG       MET  25   7.326  -1.598   0.657
  172    HG3  MET  25          1HG       MET  25   7.046   0.137   0.507
  173    HE1  MET  25          1HE       MET  25   6.717   1.597   2.935
  174    HE2  MET  25          2HE       MET  25   8.031   1.808   1.780
  175    HE3  MET  25          3HE       MET  25   8.382   1.773   3.507
  176    H    CYS  26           H        CYS  26   3.476  -1.084   2.816
  177    HA   CYS  26           HA       CYS  26   3.248  -2.554   5.163
  178    HB2  CYS  26          2HB       CYS  26   0.946  -1.554   5.233
  179    HB3  CYS  26          1HB       CYS  26   2.186  -0.397   4.754
  180    H    TYR  27           H        TYR  27   2.119  -4.412   5.800
  181    HA   TYR  27           HA       TYR  27   1.140  -6.164   3.606
  182    HB2  TYR  27          2HB       TYR  27   2.854  -6.792   5.409
  183    HB3  TYR  27          1HB       TYR  27   1.503  -6.785   6.548
  184    HD1  TYR  27          1HD       TYR  27   1.960  -7.985   3.017
  185    HD2  TYR  27          2HD       TYR  27   0.767  -8.937   7.032
  186    HE1  TYR  27          1HE       TYR  27   1.337 -10.272   2.288
  187    HE2  TYR  27          2HE       TYR  27   0.142 -11.224   6.304
  188    HH   TYR  27           HH       TYR  27   0.149 -12.685   4.627
  Start of MODEL   18
    1    H1   GLY   1          1HT       GLY   1  -2.758  -9.228   3.163
    2    H2   GLY   1          2HT       GLY   1  -4.225  -8.932   2.359
    3    H3   GLY   1          3HT       GLY   1  -4.022 -10.353   3.268
    4    HA2  GLY   1          2HA       GLY   1  -5.386  -8.540   4.339
    5    HA3  GLY   1          1HA       GLY   1  -4.070  -9.216   5.301
    6    H    GLY   2           H        GLY   2  -3.447  -7.127   2.558
    7    HA2  GLY   2          2HA       GLY   2  -3.007  -4.799   4.338
    8    HA3  GLY   2          1HA       GLY   2  -1.602  -5.432   3.479
    9    H    LEU   3           H        LEU   3  -2.070  -5.767   1.016
   10    HA   LEU   3           HA       LEU   3  -2.449  -3.315  -0.265
   11    HB2  LEU   3          2HB       LEU   3  -3.193  -6.064  -1.317
   12    HB3  LEU   3          1HB       LEU   3  -2.685  -4.675  -2.277
   13    HG   LEU   3           HG       LEU   3  -0.747  -5.198  -0.200
   14   HD11  LEU   3          1HD1      LEU   3  -1.568  -7.510  -1.969
   15   HD12  LEU   3          2HD1      LEU   3  -1.376  -7.501  -0.216
   16   HD13  LEU   3          3HD1      LEU   3   0.043  -7.392  -1.259
   17   HD21  LEU   3          1HD2      LEU   3  -0.767  -5.199  -3.227
   18   HD22  LEU   3          2HD2      LEU   3   0.702  -5.475  -2.291
   19   HD23  LEU   3          3HD2      LEU   3  -0.158  -3.942  -2.150
   20    H    GLY   4           H        GLY   4  -4.875  -5.534   0.939
   21    HA2  GLY   4          2HA       GLY   4  -7.147  -4.989  -0.506
   22    HA3  GLY   4          1HA       GLY   4  -7.182  -5.150   1.251
   23    H    ARG   5           H        ARG   5  -6.500  -3.100   2.446
   24    HA   ARG   5           HA       ARG   5  -7.790  -0.756   1.110
   25    HB2  ARG   5          2HB       ARG   5  -8.545  -1.948   3.334
   26    HB3  ARG   5          1HB       ARG   5  -7.234  -1.010   4.051
   27    HG2  ARG   5          2HG       ARG   5  -8.924   0.540   4.258
   28    HG3  ARG   5          1HG       ARG   5  -8.377   0.947   2.632
   29    HD2  ARG   5          2HD       ARG   5 -10.761  -0.760   3.407
   30    HD3  ARG   5          1HD       ARG   5 -10.751   0.725   2.437
   31    HE   ARG   5           HE       ARG   5  -9.694  -1.914   1.530
   32   HH11  ARG   5          1HH1      ARG   5 -11.614   0.724   0.777
   33   HH12  ARG   5          2HH1      ARG   5 -11.044   0.903  -0.848
   34   HH21  ARG   5          1HH2      ARG   5  -8.484  -1.406  -0.494
   35   HH22  ARG   5          2HH2      ARG   5  -9.272  -0.297  -1.566
   36    H    CYS   6           H        CYS   6  -4.737  -1.927   1.865
   37    HA   CYS   6           HA       CYS   6  -3.265   0.127   3.031
   38    HB2  CYS   6          2HB       CYS   6  -2.856  -1.994   1.018
   39    HB3  CYS   6          1HB       CYS   6  -1.679  -0.684   0.930
   40    H    ILE   7           H        ILE   7  -2.834  -0.086  -0.443
   41    HA   ILE   7           HA       ILE   7  -2.309   2.549  -1.028
   42    HB   ILE   7           HB       ILE   7  -3.837   0.409  -2.506
   43   HG12  ILE   7          2HG1      ILE   7  -1.382   0.758  -3.660
   44   HG13  ILE   7          1HG1      ILE   7  -1.056   1.077  -1.959
   45   HG21  ILE   7          1HG2      ILE   7  -4.421   2.488  -3.593
   46   HG22  ILE   7          2HG2      ILE   7  -3.188   1.697  -4.574
   47   HG23  ILE   7          3HG2      ILE   7  -2.751   3.039  -3.522
   48   HD11  ILE   7          1HD1      ILE   7  -2.803  -1.231  -2.345
   49   HD12  ILE   7          2HD1      ILE   7  -1.320  -1.097  -1.400
   50   HD13  ILE   7          3HD1      ILE   7  -1.236  -1.437  -3.129
   51    H    TYR   8           H        TYR   8  -5.591   1.085  -0.943
   52    HA   TYR   8           HA       TYR   8  -7.143   3.271  -1.702
   53    HB2  TYR   8          2HB       TYR   8  -7.956   1.014  -1.091
   54    HB3  TYR   8          1HB       TYR   8  -7.627   1.364   0.607
   55    HD1  TYR   8          1HD       TYR   8  -9.285   2.382   1.926
   56    HD2  TYR   8          2HD       TYR   8  -9.491   2.712  -2.352
   57    HE1  TYR   8          1HE       TYR   8 -11.487   3.499   2.120
   58    HE2  TYR   8          2HE       TYR   8 -11.695   3.831  -2.157
   59    HH   TYR   8           HH       TYR   8 -12.982   5.083  -0.529
   60    H    ASN   9           H        ASN   9  -6.799   2.553   1.761
   61    HA   ASN   9           HA       ASN   9  -7.343   5.187   2.634
   62    HB2  ASN   9          2HB       ASN   9  -6.269   2.643   3.726
   63    HB3  ASN   9          1HB       ASN   9  -5.953   4.092   4.682
   64   HD21  ASN   9          1HD2      ASN   9  -7.876   5.367   5.395
   65   HD22  ASN   9          2HD2      ASN   9  -9.389   4.607   5.524
   66    H    CYS  10           H        CYS  10  -4.325   3.668   1.640
   67    HA   CYS  10           HA       CYS  10  -2.658   5.768   2.754
   68    HB2  CYS  10          2HB       CYS  10  -2.236   3.211   2.315
   69    HB3  CYS  10          1HB       CYS  10  -1.775   3.767   0.709
   70    H    MET  11           H        MET  11  -2.704   4.590  -0.606
   71    HA   MET  11           HA       MET  11  -1.722   6.955  -1.784
   72    HB2  MET  11          2HB       MET  11  -3.288   4.561  -2.641
   73    HB3  MET  11          1HB       MET  11  -3.037   5.867  -3.799
   74    HG2  MET  11          2HG       MET  11  -0.771   4.625  -2.221
   75    HG3  MET  11          1HG       MET  11  -1.260   4.047  -3.812
   76    HE1  MET  11          1HE       MET  11   1.636   6.954  -2.690
   77    HE2  MET  11          2HE       MET  11   0.505   6.054  -1.683
   78    HE3  MET  11          3HE       MET  11   0.148   7.722  -2.122
   79    H    ASN  12           H        ASN  12  -5.106   5.828  -2.012
   80    HA   ASN  12           HA       ASN  12  -6.372   7.995  -3.109
   81    HB2  ASN  12          2HB       ASN  12  -7.175   5.737  -1.954
   82    HB3  ASN  12          1HB       ASN  12  -7.559   6.829  -0.623
   83   HD21  ASN  12          1HD2      ASN  12  -8.612   9.052  -1.696
   84   HD22  ASN  12          2HD2      ASN  12  -9.915   8.721  -2.732
   85    H    SER  13           H        SER  13  -6.106   7.696   0.446
   86    HA   SER  13           HA       SER  13  -6.928  10.202   1.241
   87    HB2  SER  13          2HB       SER  13  -4.846   8.264   2.166
   88    HB3  SER  13          1HB       SER  13  -4.919   9.835   2.959
   89    HG   SER  13           HG       SER  13  -6.323   8.567   4.061
   90    H    GLY  14           H        GLY  14  -3.461   9.805   1.436
   91    HA2  GLY  14          2HA       GLY  14  -2.814  11.698  -0.623
   92    HA3  GLY  14          1HA       GLY  14  -2.741  12.434   0.979
   93    H    GLY  15           H        GLY  15  -2.022   9.048   0.682
   94    HA2  GLY  15          2HA       GLY  15  -0.052   7.942   1.395
   95    HA3  GLY  15          1HA       GLY  15   0.619   8.823   0.019
   96    H    GLY  16           H        GLY  16  -0.168   9.282   3.475
   97    HA2  GLY  16          2HA       GLY  16   1.118  11.629   4.071
   98    HA3  GLY  16          1HA       GLY  16   1.195  10.236   5.155
   99    H    LEU  17           H        LEU  17   2.634   8.632   3.078
  100    HA   LEU  17           HA       LEU  17   5.311   9.932   3.384
  101    HB2  LEU  17          2HB       LEU  17   5.605   7.158   2.919
  102    HB3  LEU  17          1HB       LEU  17   5.903   8.025   4.419
  103    HG   LEU  17           HG       LEU  17   3.282   7.790   4.718
  104   HD11  LEU  17          1HD1      LEU  17   2.658   5.476   3.776
  105   HD12  LEU  17          2HD1      LEU  17   4.028   5.682   2.685
  106   HD13  LEU  17          3HD1      LEU  17   2.679   6.817   2.631
  107   HD21  LEU  17          1HD2      LEU  17   3.782   6.155   6.236
  108   HD22  LEU  17          2HD2      LEU  17   5.430   6.623   5.822
  109   HD23  LEU  17          3HD2      LEU  17   4.701   5.207   5.067
  110    H    SER  18           H        SER  18   4.323   7.137   1.455
  111    HA   SER  18           HA       SER  18   4.679   8.629  -1.077
  112    HB2  SER  18          2HB       SER  18   6.631   6.902   0.253
  113    HB3  SER  18          1HB       SER  18   6.290   6.395  -1.397
  114    HG   SER  18           HG       SER  18   6.981   9.026  -0.569
  115    H    PHE  19           H        PHE  19   4.868   6.476  -2.766
  116    HA   PHE  19           HA       PHE  19   2.227   5.147  -2.406
  117    HB2  PHE  19          2HB       PHE  19   2.799   6.460  -4.452
  118    HB3  PHE  19          1HB       PHE  19   4.127   5.345  -4.764
  119    HD1  PHE  19          1HD       PHE  19   1.281   3.767  -3.233
  120    HD2  PHE  19          2HD       PHE  19   2.893   5.043  -7.005
  121    HE1  PHE  19          1HE       PHE  19  -0.269   2.235  -4.416
  122    HE2  PHE  19          2HE       PHE  19   1.343   3.512  -8.186
  123    HZ   PHE  19           HZ       PHE  19  -0.238   2.108  -6.892
  124    H    ILE  20           H        ILE  20   5.499   4.312  -3.506
  125    HA   ILE  20           HA       ILE  20   5.277   1.504  -3.553
  126    HB   ILE  20           HB       ILE  20   7.725   2.794  -2.372
  127   HG12  ILE  20          2HG1      ILE  20   8.138   3.116  -5.057
  128   HG13  ILE  20          1HG1      ILE  20   6.432   3.548  -4.921
  129   HG21  ILE  20          1HG2      ILE  20   8.104   1.164  -4.717
  130   HG22  ILE  20          2HG2      ILE  20   7.059   0.323  -3.574
  131   HG23  ILE  20          3HG2      ILE  20   8.656   0.874  -3.067
  132   HD11  ILE  20          1HD1      ILE  20   7.345   4.886  -2.788
  133   HD12  ILE  20          2HD1      ILE  20   7.353   5.598  -4.402
  134   HD13  ILE  20          3HD1      ILE  20   8.826   4.885  -3.744
  135    H    GLN  21           H        GLN  21   5.508   3.697  -0.833
  136    HA   GLN  21           HA       GLN  21   6.216   1.819   1.202
  137    HB2  GLN  21          2HB       GLN  21   4.539   4.347   1.310
  138    HB3  GLN  21          1HB       GLN  21   5.346   3.592   2.685
  139    HG2  GLN  21          2HG       GLN  21   6.876   4.420   0.219
  140    HG3  GLN  21          1HG       GLN  21   6.567   5.551   1.538
  141   HE21  GLN  21          1HE2      GLN  21   8.791   3.262   0.449
  142   HE22  GLN  21          2HE2      GLN  21   9.565   2.935   1.922
  143    H    CYS  22           H        CYS  22   3.232   2.431  -0.484
  144    HA   CYS  22           HA       CYS  22   1.818   0.537   1.355
  145    HB2  CYS  22          2HB       CYS  22   1.037   3.120   0.022
  146    HB3  CYS  22          1HB       CYS  22  -0.203   1.941   0.443
  147    H    LYS  23           H        LYS  23   2.342   1.649  -1.962
  148    HA   LYS  23           HA       LYS  23   0.526   0.297  -3.507
  149    HB2  LYS  23          2HB       LYS  23   2.327   1.584  -4.454
  150    HB3  LYS  23          1HB       LYS  23   3.536   0.499  -3.767
  151    HG2  LYS  23          2HG       LYS  23   3.092   0.121  -6.222
  152    HG3  LYS  23          1HG       LYS  23   2.837  -1.306  -5.215
  153    HD2  LYS  23          2HD       LYS  23   0.528  -1.213  -5.424
  154    HD3  LYS  23          1HD       LYS  23   0.520   0.527  -5.714
  155    HE2  LYS  23          2HE       LYS  23  -0.009  -0.622  -7.810
  156    HE3  LYS  23          1HE       LYS  23   1.615   0.081  -7.951
  157    HZ1  LYS  23          1HZ       LYS  23   2.623  -1.960  -7.523
  158    HZ2  LYS  23          2HZ       LYS  23   1.342  -2.374  -8.558
  159    HZ3  LYS  23          3HZ       LYS  23   1.209  -2.646  -6.887
  160    H    THR  24           H        THR  24   3.540  -1.229  -2.331
  161    HA   THR  24           HA       THR  24   2.085  -3.836  -2.196
  162    HB   THR  24           HB       THR  24   4.387  -4.687  -3.221
  163    HG1  THR  24          1HG       THR  24   5.027  -2.338  -3.178
  164   HG21  THR  24          1HG2      THR  24   3.174  -3.799  -5.540
  165   HG22  THR  24          2HG2      THR  24   1.850  -3.781  -4.375
  166   HG23  THR  24          3HG2      THR  24   2.748  -5.270  -4.666
  167    H    MET  25           H        MET  25   3.901  -1.607  -0.560
  168    HA   MET  25           HA       MET  25   5.862  -3.224   0.756
  169    HB2  MET  25          2HB       MET  25   4.677  -0.543   0.900
  170    HB3  MET  25          1HB       MET  25   5.269  -1.143   2.449
  171    HG2  MET  25          2HG       MET  25   7.091  -1.660   0.198
  172    HG3  MET  25          1HG       MET  25   6.832   0.053   0.526
  173    HE1  MET  25          1HE       MET  25   6.820   1.056   2.791
  174    HE2  MET  25          2HE       MET  25   7.717   0.495   4.200
  175    HE3  MET  25          3HE       MET  25   6.156  -0.224   3.816
  176    H    CYS  26           H        CYS  26   3.188  -1.650   2.464
  177    HA   CYS  26           HA       CYS  26   3.008  -3.318   4.668
  178    HB2  CYS  26          2HB       CYS  26   0.644  -2.558   4.744
  179    HB3  CYS  26          1HB       CYS  26   1.730  -1.245   4.293
  180    H    TYR  27           H        TYR  27   2.771  -5.513   4.781
  181    HA   TYR  27           HA       TYR  27   1.204  -6.889   2.627
  182    HB2  TYR  27          2HB       TYR  27   3.731  -7.281   3.070
  183    HB3  TYR  27          1HB       TYR  27   3.199  -8.142   4.517
  184    HD1  TYR  27          1HD       TYR  27   2.209 -10.313   4.383
  185    HD2  TYR  27          2HD       TYR  27   2.955  -8.049   0.809
  186    HE1  TYR  27          1HE       TYR  27   1.710 -12.317   3.010
  187    HE2  TYR  27          2HE       TYR  27   2.456 -10.053  -0.564
  188    HH   TYR  27           HH       TYR  27   2.595 -12.910   0.237