*HEADER    TOXIN                                   17-AUG-15   2N6B              
*TITLE     NMR STRUCTURE OF THE DE-NOVO TOXIN HUI1                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HUI1;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC;                                      
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    TOXIN, SHK, POTASSIUM CHANNEL                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.MENDELMAN, R.ZHAO, S.A.N.GOLDSTEIN, J.H.CHILL                       
*REVDAT   1   16-DEC-15 2N6B    0                                                


!!Distance constraints
!CYS3
assign (resid 3 and name HB1)(resid 4 and name HN) 3.93 2.13 1.18       
assign (resid 3 and name HB2)(resid 4 and name HN) 3.95 2.15 1.19 
!LYS4
assign (resid 4 and name HA)(resid 30 and name HN) 3.62 1.82 1.08       
assign (resid 4 and name HA)(resid 31 and name HN) 3.95 2.15 1.19       
assign (resid 4 and name HA)(resid 5 and name HB*) 3.3 1.5 1            
assign (resid 4 and name HA)(resid 5 and name HN) 2.2 0.4 0.66          
assign (resid 4 and name HB1)(resid 5 and name HN) 2.6 0.8 0.78         
assign (resid 4 and name HB2)(resid 5 and name HN) 2.72 0.92 0.81       
assign (resid 4 and name HD*)(resid 5 and name HN) 2.96 1.16 0.89       
assign (resid 4 and name HG*)(resid 5 and name HN) 3.69 1.89 1.11       
!ASP5
assign (resid 5 and name HA)(resid 29 and name HN) 3.11 1.31 0.93       
assign (resid 5 and name HA)(resid 30 and name HN) 3.19 1.39 0.96       
assign (resid 5 and name HA)(resid 31 and name HN) 4.05 2.25 1.21       
assign (resid 5 and name HA)(resid 6 and name HN) 2.36 0.56 0.71        
assign (resid 5 and name HA)(resid 7 and name HN) 3.43 1.63 1.03        
assign (resid 5 and name HB1)(resid 31 and name HN) 4.35 2.55 1.3       
assign (resid 5 and name HB1)(resid 6 and name HN) 3.26 1.46 0.98       
assign (resid 5 and name HB1)(resid 7 and name HN) 3.22 1.42 0.96       
assign (resid 5 and name HB2)(resid 6 and name HN) 2.91 1.11 0.87       
assign (resid 5 and name HB2)(resid 7 and name HN) 3 1.2 0.9            
assign (resid 5 and name HN)(resid 6 and name HN) 3.25 1.45 0.97        
!THR6
assign (resid 6 and name HA)(resid 7 and name HN) 3.19 1.39 0.96        
assign (resid 6 and name HB*)(resid 27 and name HB*) 2.5 0.7 0.75       
assign (resid 6 and name HB*)(resid 27 and name HD1*) 3.18 1.38 0.95    
assign (resid 6 and name HB*)(resid 27 and name HD2*) 2.95 1.15 0.88    
assign (resid 6 and name HB*)(resid 27 and name HG*) 2.5 0.7 0.75       
assign (resid 6 and name HB*)(resid 7 and name HG) 2.96 1.16 0.88       
assign (resid 6 and name HB1)(resid 27 and name HA) 2.36 0.6 0.71       
assign (resid 6 and name HB1)(resid 27 and name HA) 2.5 0.7 0.75        
assign (resid 6 and name HB1)(resid 7 and name HD*) 3.66 1.86 1.01      
assign (resid 6 and name HB1)(resid 7 and name HD*) 3.66 1.86 1.1       
assign (resid 6 and name HB1)(resid 7 and name HN) 3.41 1.61 1.02       
assign (resid 6 and name HB2)(resid 27 and name HA) 2.67 0.87 0.8       
assign (resid 6 and name HB2)(resid 27 and name HA) 2.67 0.87 0.8       
assign (resid 6 and name HB2)(resid 7 and name HD*) 3.46 1.66 1.04      
assign (resid 6 and name HB2)(resid 7 and name HN) 3.3 1.5 0.99         
assign (resid 6 and name HD*)(resid 27 and name HD2*) 3.91 2.11 1.17    
assign (resid 6 and name HD*)(resid 7 and name HD2*) 4.61 2.81 1.38     
assign (resid 6 and name HN)(resid 27 and name HD2*) 4.05 2.25 1.22     
assign (resid 6 and name HN)(resid 28 and name HA) 3.25 1.45 0.98       
assign (resid 6 and name HN)(resid 29 and name HG2) 4.39 2.59 1.32      
assign (resid 6 and name HN)(resid 29 and name HN) 3.44 1.64 1.03       
assign (resid 6 and name HN)(resid 7 and name HN) 2.42 0.62 0.73        
!LEU7
assign (resid 7 and name HA)(resid 8 and name HD1) 2.5 0.7 0.75         
assign (resid 7 and name HA)(resid 8 and name HD2) 2.5 0.7 0.75         
assign (resid 7 and name HB1)(resid 11 and name HB2) 2.65 0.85 0.79     
assign (resid 7 and name HB1)(resid 11 and name HN) 3.66 1.86 1.1       
assign (resid 7 and name HB1)(resid 8 and name HD*) 2.44 0.64 0.73      
assign (resid 7 and name HB2)(resid 11 and name HB2) 2.7 0.9 0.81       
assign (resid 7 and name HB2)(resid 11 and name HN) 3.64 1.84 1.09      
assign (resid 7 and name HB2)(resid 8 and name HD*) 2.44 0.64 0.73      
assign (resid 7 and name HD*)(resid 11 and name HB1) 3.17 1.37 0.95     
assign (resid 7 and name HD*)(resid 11 and name HB2) 2.68 0.88 0.8      
assign (resid 7 and name HD*)(resid 11 and name HN) 4.3 2.5 1.29        
assign (resid 7 and name HD*)(resid 23 and name HD*) 3.89 2.09 1.17     
assign (resid 7 and name HD*)(resid 23 and name HE*) 3.22 1.42 0.96     
assign (resid 7 and name HD*)(resid 27 and name HD1*) 2.66 0.86 0.8     
assign (resid 7 and name HD*)(resid 27 and name HN) 4.35 2.55 1.31      
assign (resid 7 and name HD*)(resid 28 and name HN) 4.44 2.86 1.4       
assign (resid 7 and name HD1*)(resid 11 and name HG*) 3.13 1.33 0.94    
assign (resid 7 and name HD1*)(resid 12 and name HN) 4.57 2.77 1.37     
assign (resid 7 and name HD1*)(resid 8 and name HD1) 3.31 1.51 0.99     
assign (resid 7 and name HD2*)(resid 11 and name HG*) 3.18 1.38 0.95    
assign (resid 7 and name HD2*)(resid 8 and name HD1) 2.67 0.87 0.8      
assign (resid 7 and name HD2*)(resid 8 and name HD2) 2.7 0.9 0.81       
assign (resid 7 and name HG)(resid 8 and name HD1) 2.94 1.14 0.88       
assign (resid 7 and name HN)(resid 27 and name HD2*) 4.71 2.91 1.41     
!PRO8
assign (resid 8 and name HA)(resid 10 and name HN) 3.88 2.08 1.16       
assign (resid 8 and name HA)(resid 11 and name HN) 3.59 1.79 1.08       
assign (resid 8 and name HA)(resid 9 and name HG*) 2.74 0.94 0.82       
assign (resid 8 and name HA)(resid 9 and name HN) 2.36 0.56 0.71        
assign (resid 8 and name HB1)(resid 10 and name HN) 3.3 1.5 0.99        
assign (resid 8 and name HB1)(resid 9 and name HN) 3.27 1.47 0.98       
assign (resid 8 and name HB2)(resid 10 and name HN) 3.65 1.85 1.1       
assign (resid 8 and name HD1)(resid 11 and name HB2) 3 1.2 0.9          
assign (resid 8 and name HD1)(resid 11 and name HG1) 2.76 0.96 0.83     
assign (resid 8 and name HD2)(resid 11 and name HB2) 3.51 1.71 1.05     
assign (resid 8 and name HD2)(resid 11 and name HG1) 3.02 1.22 0.91     
assign (resid 8 and name HD2)(resid 9 and name HE) 2.41 0.61 0.72       
assign (resid 8 and name HG*)(resid 10 and name HN) 3.67 1.87 1.1       
assign (resid 8 and name HG*)(resid 9 and name HN) 3.2 1.4 0.96         
!LYS9
assign (resid 9 and name HB1)(resid 10 and name HN) 3.15 1.35 0.95      
assign (resid 9 and name HB2)(resid 10 and name HN) 3.41 1.61 1.02      
assign (resid 9 and name HN)(resid 10 and name HN) 3.16 1.36 0.95       
!SER10
assign (resid 10 and name HA)(resid 11 and name HN) 3 1.2 0.9           
assign (resid 10 and name HN)(resid 11 and name HN) 2.76 0.96 0.83      
!GLU11
assign (resid 11 and name HA)(resid 12 and name HN) 3.25 1.45 0.98      
assign (resid 11 and name HA)(resid 13 and name HG2*) 3.16 1.36 0.95    
assign (resid 11 and name HB*)(resid 23 and name HE*) 3.91 2.11 1.17    
assign (resid 11 and name HB1)(resid 12 and name HB*) 3.06 1.26 0.92    
assign (resid 11 and name HB1)(resid 12 and name HN) 3.13 1.33 0.94     
assign (resid 11 and name HB2)(resid 12 and name HN) 3.45 1.65 1.04     
assign (resid 11 and name HG1)(resid 12 and name HN) 3.86 2.06 1.16     
assign (resid 11 and name HN)(resid 12 and name HN) 2.28 0.48 0.69      
assign (resid 11 and name HN)(resid 13 and name HG2*) 4.33 2.53 1.3     
!CYS12
assign (resid 12 and name HA)(resid 13 and name HN) 2.37 0.57 0.71      
assign (resid 12 and name HA)(resid 23 and name HD*) 4.26 2.46 1.28     
assign (resid 12 and name HB*)(resid 13 and name HN) 3.17 1.37 0.95     
assign (resid 12 and name HB*)(resid 28 and name HN) 3.83 2.03 1.15     
assign (resid 12 and name HB*)(resid 31 and name HB) 2.5 0.7 0.75       
assign (resid 12 and name HB*)(resid 31 and name HG2*) 2.35 0.55 0.71   
assign (resid 12 and name HB*)(resid 31 and name HN) 3.38 1.58 1.01     
assign (resid 12 and name HB*)(resid 33 and name HN) 3.5 1.7 1.05       
!THR13
assign (resid 13 and name HA)(resid 14 and name HN) 3.09 1.29 0.93      
assign (resid 13 and name HA)(resid 16 and name HN) 3.72 1.92 1.12      
assign (resid 13 and name HB)(resid 14 and name HN) 3.53 1.73 1.06      
assign (resid 13 and name HB)(resid 15 and name HB1) 3.07 1.27 0.92     
assign (resid 13 and name HB)(resid 15 and name HB2) 3.29 1.49 0.99     
assign (resid 13 and name HB)(resid 15 and name HN) 3.37 1.57 1.01      
assign (resid 13 and name HB)(resid 16 and name HN) 3.51 1.71 1.05      
assign (resid 13 and name HG2*)(resid 14 and name HN) 4.49 2.69 1.35    
assign (resid 13 and name HN)(resid 16 and name HB1) 2.95 1.15 0.88     
assign (resid 13 and name HN)(resid 16 and name HB2) 3.6 1.8 1.08       
assign (resid 13 and name HN)(resid 16 and name HD*) 3.8 2 1.14         
assign (resid 13 and name HN)(resid 16 and name HG*) 3.71 1.91 1.11     
!GLN14
assign (resid 14 and name HA)(resid 15 and name HN) 3.82 2.02 1.14      
assign (resid 14 and name HA)(resid 17 and name HN) 3.5 1.7 1.05        
assign (resid 14 and name HA)(resid 18 and name HN) 3.58 1.78 1.07      
assign (resid 14 and name HB1)(resid 15 and name HN) 4 2.2 1.2          
assign (resid 14 and name HB2)(resid 15 and name HN) 4 2.2 1.2          
assign (resid 14 and name HE21)(resid 31 and name HG2*) 3.8 2 1.14      
assign (resid 14 and name HE21)(resid 31 and name HG2*) 3.8 2 1.14      
assign (resid 14 and name HE22)(resid 31 and name HG2*) 3.66 1.86 1.1   
assign (resid 14 and name HE22)(resid 31 and name HG2*) 3.66 1.86 1.1   
!PHE15
assign (resid 15 and name HB1)(resid 16 and name HG*) 3.03 1.23 0.91    
assign (resid 15 and name HB1)(resid 16 and name HN) 2.78 0.98 0.83     
assign (resid 15 and name HB2)(resid 16 and name HG*) 3.3 1.5 1         
assign (resid 15 and name HB2)(resid 16 and name HN) 3.17 1.37 0.95     
assign (resid 15 and name HD*)(resid 16 and name HA) 4.33 2.53 1.3      
assign (resid 15 and name HD*)(resid 19 and name HG2*) 4.56 2.76 1.37   
assign (resid 15 and name HE*)(resid 19 and name HG2*) 3.61 1.81 1.08   
assign (resid 15 and name HN)(resid 16 and name HN) 3.18 1.38 0.95      
!ARG16
assign (resid 16 and name HA)(resid 17 and name HN) 3.4 1.6 1.02        
assign (resid 16 and name HA)(resid 18 and name HN) 3.86 2.06 1.16      
assign (resid 16 and name HA)(resid 19 and name HG2*) 3.62 1.82 1.09    
assign (resid 16 and name HA)(resid 19 and name HN) 3.5 1.7 1.05        
assign (resid 16 and name HA)(resid 20 and name HN) 3.49 1.69 1.05      
assign (resid 16 and name HA)(resid 24 and name HE) 3.91 2.11 1.17      
assign (resid 16 and name HB1)(resid 17 and name HN) 2.88 1.08 0.86     
assign (resid 16 and name HB2)(resid 23 and name HD*) 4.15 2.35 1.24    
assign (resid 16 and name HB2)(resid 23 and name HE*) 4.03 2.23 1.21    
assign (resid 16 and name HD2)(resid 23 and name HE*) 4.22 2.42 1.27    
assign (resid 16 and name HG*)(resid 32 and name HB*) 3.3 1.5 1         
assign (resid 16 and name HG1)(resid 17 and name HN) 3.65 1.85 1.1      
assign (resid 16 and name HG1)(resid 23 and name HD*) 3.84 2.04 1.15    
assign (resid 16 and name HG2)(resid 17 and name HN) 3.27 1.47 0.98     
assign (resid 16 and name HG2)(resid 23 and name HD*) 3.84 2.04 1.15    
assign (resid 16 and name HN)(resid 17 and name HN) 3 1.2 0.9           
!CYS17
assign (resid 17 and name HA)(resid 23 and name HB*) 3.28 1.48 0.98     
assign (resid 17 and name HA)(resid 24 and name HB*) 2.68 0.88 0.8      
assign (resid 17 and name HB*)(resid 25 and name HD*) 3.71 1.91 1.11    
assign (resid 17 and name HB1)(resid 18 and name HN) 2.76 0.96 0.83     
assign (resid 17 and name HN)(resid 18 and name HN) 2.63 0.83 0.79      
!ARG18
assign (resid 18 and name HA)(resid 19 and name HG2*) 3.25 1.45 0.98    
assign (resid 18 and name HA)(resid 19 and name HN) 3.16 1.36 0.95      
assign (resid 18 and name HB*)(resid 19 and name HB) 2 0.2 0.6          
assign (resid 18 and name HB*)(resid 19 and name HG2*) 2.65 0.85 0.8    
assign (resid 18 and name HB*)(resid 19 and name HN) 2.87 1.07 0.86     
assign (resid 18 and name HB*)(resid 20 and name HN) 3.92 2.12 1.18     
assign (resid 18 and name HD*)(resid 19 and name HG2*) 3.46 1.66 1.04   
assign (resid 18 and name HN)(resid 19 and name HN) 2.63 0.83 0.79      
!THR19
assign (resid 19 and name HA)(resid 20 and name HN) 3.23 1.43 0.97      
assign (resid 19 and name HN)(resid 20 and name HN) 2.55 0.75 0.77      
!SER20
assign (resid 20 and name HB*)(resid 23 and name HB1) 3.33 1.53 1       
assign (resid 20 and name HB*)(resid 23 and name HB2) 2.82 1.02 0.85    
assign (resid 20 and name HB1)(resid 23 and name HD*) 3.62 1.82 1.08    
assign (resid 20 and name HB1)(resid 23 and name HN) 3.49 1.69 1.05     
!MET21
assign (resid 21 and name HA)(resid 24 and name HN) 2.92 1.12 0.88      
assign (resid 21 and name HA)(resid 25 and name HD*) 3.36 1.56 1        
assign (resid 21 and name HA)(resid 25 and name HN) 3.5 1.7 1.05        
assign (resid 21 and name HB*)(resid 25 and name HD*) 3 1.2 0.9         
assign (resid 21 and name HG1)(resid 25 and name HD*) 3.08 1.28 0.93    
assign (resid 21 and name HG2)(resid 25 and name HD*) 3.1 1.3 0.93      
!LYS22
assign (resid 22 and name HA)(resid 26 and name HN) 3.5 1.7 1.05        
assign (resid 22 and name HB1)(resid 23 and name HN) 2.92 1.12 0.88     
assign (resid 22 and name HB2)(resid 23 and name HN) 3.36 1.56 1.01     
assign (resid 22 and name HD*)(resid 27 and name HD*) 3.24 1.44 0.97    
assign (resid 22 and name HD*)(resid 27 and name HN) 4.08 2.28 1.22     
assign (resid 22 and name HE1)(resid 27 and name HD1*) 3.65 1.85 1.1    
assign (resid 22 and name HE2)(resid 27 and name HD1*) 3.65 1.85 1.1    
assign (resid 22 and name HG*)(resid 27 and name HD*) 3.17 1.37 0.95    
assign (resid 22 and name HG*)(resid 27 and name HN) 4.11 2.31 1.23     
!TYR23
assign (resid 23 and name HA)(resid 27 and name HD*) 2.9 1.1 0.9        
assign (resid 23 and name HB1)(resid 24 and name HN) 3.08 1.28 0.92     
assign (resid 23 and name HB2)(resid 24 and name HN) 3 1.2 0.9          
assign (resid 23 and name HD*)(resid 24 and name HN) 3.24 1.44 0.97     
assign (resid 23 and name HD*)(resid 27 and name HD1*) 4.14 2.34 1.24   
assign (resid 23 and name HE*)(resid 27 and name HD1*) 3.95 2.15 1.19   
assign (resid 23 and name HN)(resid 24 and name HN) 3 1.2 0.9           
assign (resid 23 and name HN)(resid 27 and name HD*) 4.32 2.52 1.3      
!ARG24
assign (resid 24 and name HA)(resid 25 and name HN) 3.33 1.53 1         
assign (resid 24 and name HA)(resid 32 and name HB1) 2.5 0.7 0.75       
assign (resid 24 and name HA)(resid 32 and name HB2) 2.5 0.7 0.75       
assign (resid 24 and name HB2)(resid 25 and name HN) 3.19 1.39 0.96     
assign (resid 24 and name HD1)(resid 25 and name HD1*) 3.33 1.53 1      
assign (resid 24 and name HD1)(resid 25 and name HD2*) 3.28 1.48 0.98   
assign (resid 24 and name HD2)(resid 25 and name HD1*) 3.39 1.59 1.02   
assign (resid 24 and name HD2)(resid 25 and name HD2*) 3.44 1.64 1.03   
assign (resid 24 and name HD2)(resid 25 and name HN) 4.07 2.27 1.22     
assign (resid 24 and name HG*)(resid 34 and name HG2*) 3.6 1.8 1.07     
assign (resid 24 and name HN)(resid 25 and name HN) 2.6 0.8 0.78        
!LEU25
assign (resid 25 and name HA)(resid 26 and name HN) 3.3 1.5 0.99        
assign (resid 25 and name HA)(resid 29 and name HG*) 2.9 1.1 0.9        
assign (resid 25 and name HB*)(resid 26 and name HB*) 2.69 0.89 0.81    
assign (resid 25 and name HB1)(resid 26 and name HN) 3.11 1.31 0.93     
assign (resid 25 and name HB2)(resid 26 and name HN) 3.46 1.66 1.04     
assign (resid 25 and name HD*)(resid 29 and name HE*) 3.82 2.02 1.15    
assign (resid 25 and name HD*)(resid 32 and name HB*) 4.1 2.3 1.23      
assign (resid 25 and name HD*)(resid 34 and name HB) 3 1.2 0.9          
assign (resid 25 and name HG)(resid 26 and name HN) 3.82 2.02 1.15      
assign (resid 25 and name HN)(resid 26 and name HN) 2.52 0.72 0.76      
!ASN26
assign (resid 26 and name HA)(resid 27 and name HN) 3.43 1.63 1.03      
assign (resid 26 and name HB*)(resid 27 and name HN) 2.39 0.59 0.72     
assign (resid 26 and name HN)(resid 27 and name HN) 2.51 0.71 0.75      
!LEU27
assign (resid 27 and name HA)(resid 28 and name HN) 3.28 1.48 0.98      
assign (resid 27 and name HD1*)(resid 28 and name HN) 4.39 2.59 1.32    
assign (resid 27 and name HD2*)(resid 28 and name HN) 4.44 2.64 1.33    
assign (resid 27 and name HG)(resid 28 and name HN) 3.56 1.76 1.07      
assign (resid 27 and name HN)(resid 28 and name HN) 3 1.2 0.9           
!CYS28
assign (resid 28 and name HA)(resid 29 and name HN) 2.89 1.09 0.87      
assign (resid 28 and name HA)(resid 30 and name HN) 3.52 1.72 1.06      
assign (resid 28 and name HA)(resid 31 and name HN) 3.8 2 1.14          
assign (resid 28 and name HB1)(resid 31 and name HB) 2.8 1 0.84         
assign (resid 28 and name HB1)(resid 31 and name HG2*) 3.23 1.43 0.97   
assign (resid 28 and name HB1)(resid 31 and name HN) 3.77 1.97 1.13     
assign (resid 28 and name HB1)(resid 32 and name HN) 3.54 1.74 1.06     
assign (resid 28 and name HB2)(resid 29 and name HN) 3.69 1.89 1.11     
assign (resid 28 and name HB2)(resid 30 and name HN) 3.76 1.96 1.13     
assign (resid 28 and name HB2)(resid 31 and name HB) 2.8 1 0.84         
assign (resid 28 and name HB2)(resid 31 and name HG2*) 3.21 1.41 0.96   
assign (resid 28 and name HB2)(resid 31 and name HN) 3.35 1.55 1.01     
assign (resid 28 and name HB2)(resid 32 and name HN) 3.29 1.49 0.99     
!LYS29
assign (resid 29 and name HA)(resid 30 and name HN) 3.43 1.63 1.03      
assign (resid 29 and name HB*)(resid 35 and name HA) 2.83 1.03 0.85     
assign (resid 29 and name HG*)(resid 34 and name HN) 4.04 2.24 1.21     
assign (resid 29 and name HN)(resid 30 and name HN) 2.81 1.01 0.84      
assign (resid 29 and name HN)(resid 31 and name HN) 3.85 2.05 1.16      
assign (resid 29 and name HN)(resid 32 and name HN) 3.45 1.65 1.04      
!LYS30
assign (resid 30 and name HA)(resid 31 and name HN) 3.22 1.42 0.97      
assign (resid 30 and name HB*)(resid 31 and name HN) 2.55 0.75 0.76     
assign (resid 30 and name HB*)(resid 32 and name HN) 3.93 2.13 1.18     
assign (resid 30 and name HD*)(resid 31 and name HN) 3.84 2.04 1.15     
assign (resid 30 and name HD*)(resid 33 and name HN) 4.11 2.31 1.23     
assign (resid 30 and name HD*)(resid 34 and name HN) 3.48 1.68 1.04     
assign (resid 30 and name HG*)(resid 31 and name HN) 2.75 0.95 0.83     
assign (resid 30 and name HG*)(resid 32 and name HN) 3.95 2.15 1.18     
assign (resid 30 and name HG*)(resid 33 and name HN) 3.94 2.14 1.18     
assign (resid 30 and name HG*)(resid 35 and name HN) 4.08 2.28 1.22     
assign (resid 30 and name HN)(resid 31 and name HN) 2.41 0.61 0.72      
assign (resid 30 and name HN)(resid 32 and name HN) 3.36 1.56 1.01      
!THR31
assign (resid 31 and name HB)(resid 32 and name HN) 2.68 0.88 0.8       
assign (resid 31 and name HG2*)(resid 32 and name HN) 3.35 1.55 1.01    
assign (resid 31 and name HN)(resid 32 and name HN) 2.67 0.87 0.8       
assign (resid 31 and name HN)(resid 33 and name HN) 3.84 2.04 1.15      
!CYS32
assign (resid 32 and name HA)(resid 33 and name HN) 3.22 1.42 0.97      
assign (resid 32 and name HB1)(resid 34 and name HG2*) 3.26 1.46 0.98   
assign (resid 32 and name HB2)(resid 33 and name HN) 3.69 1.89 1.11     
assign (resid 32 and name HB2)(resid 34 and name HG2*) 3.1 1.3 0.93     
!GLY33
assign (resid 33 and name HA*)(resid 34 and name HN) 2.69 0.89 0.81     
assign (resid 33 and name HN)(resid 34 and name HN) 2.43 0.63 0.73      
!THR34
assign (resid 34 and name HA)(resid 35 and name HN) 2.87 1.07 0.86      
assign (resid 34 and name HB)(resid 35 and name HN) 3.09 1.29 0.93      
assign (resid 34 and name HG2*)(resid 35 and name HB1) 3.46 1.66 1.04   
assign (resid 34 and name HG2*)(resid 35 and name HN) 3.86 2.06 1.16    
assign (resid 34 and name HN)(resid 35 and name HN) 2.4 0.6 0.72      
!!Dihedral constraints
! phi
assign (resid 3 and name C)(resid 4 and name N)(resid 4 and name CA)(resid 4 and name C) 1 -100 50 2
assign (resid 4 and name C)(resid 5 and name N)(resid 5 and name CA)(resid 5 and name C) 1 -107 40 2
assign (resid 7 and name C)(resid 8 and name N)(resid 8 and name CA)(resid 8 and name C) 1 -63 20 2
assign (resid 8 and name C)(resid 9 and name N)(resid 9 and name CA)(resid 9 and name C) 1 -54 20 2
assign (resid 9 and name C)(resid 10 and name N)(resid 10 and name CA)(resid 10 and name C) 1 -65 20 2
assign (resid 10 and name C)(resid 11 and name N)(resid 11 and name CA)(resid 11 and name C) 1 -79 20 2
assign (resid 11 and name C)(resid 12 and name N)(resid 12 and name CA)(resid 12 and name C) 1 -85 20 2
assign (resid 12 and name C)(resid 13 and name N)(resid 13 and name CA)(resid 13 and name C) 1 -106 30 2
assign (resid 13 and name C)(resid 14 and name N)(resid 14 and name CA)(resid 14 and name C) 1 -63 20 2
assign (resid 14 and name C)(resid 15 and name N)(resid 15 and name CA)(resid 15 and name C) 1 -65 20 2
assign (resid 15 and name C)(resid 16 and name N)(resid 16 and name CA)(resid 16 and name C) 1 -63 20 2
assign (resid 16 and name C)(resid 17 and name N)(resid 17 and name CA)(resid 17 and name C) 1 -70 20 2
assign (resid 17 and name C)(resid 18 and name N)(resid 18 and name CA)(resid 18 and name C) 1 -65 20 2
assign (resid 18 and name C)(resid 19 and name N)(resid 19 and name CA)(resid 19 and name C) 1 -90 20 2
assign (resid 19 and name C)(resid 20 and name N)(resid 20 and name CA)(resid 20 and name C) 1 -100 30 2
assign (resid 20 and name C)(resid 21 and name N)(resid 21 and name CA)(resid 21 and name C) 1 -59 20 2
assign (resid 21 and name C)(resid 22 and name N)(resid 22 and name CA)(resid 22 and name C) 1 -63 20 2
assign (resid 22 and name C)(resid 23 and name N)(resid 23 and name CA)(resid 23 and name C) 1 -65 20 2
assign (resid 23 and name C)(resid 24 and name N)(resid 24 and name CA)(resid 24 and name C) 1 -60 20 2
assign (resid 24 and name C)(resid 25 and name N)(resid 25 and name CA)(resid 25 and name C) 1 -70 20 2
assign (resid 25 and name C)(resid 26 and name N)(resid 26 and name CA)(resid 26 and name C) 1 -85 20 2
assign (resid 27 and name C)(resid 28 and name N)(resid 28 and name CA)(resid 28 and name C) 1 -100 35 2
assign (resid 28 and name C)(resid 29 and name N)(resid 29 and name CA)(resid 29 and name C) 1 -58 20 2
assign (resid 29 and name C)(resid 30 and name N)(resid 30 and name CA)(resid 30 and name C) 1 -65 20 2
assign (resid 30 and name C)(resid 31 and name N)(resid 31 and name CA)(resid 31 and name C) 1 -62 20 2
assign (resid 31 and name C)(resid 32 and name N)(resid 32 and name CA)(resid 32 and name C) 1 -85 20 2
assign (resid 32 and name C)(resid 33 and name N)(resid 33 and name CA)(resid 33 and name C) 1 60 30 2
! psi
assign (resid 4 and name N)(resid 4 and name CA)(resid 4 and name C)(resid 5 and name N) 1 142 50 2
assign (resid 5 and name N)(resid 5 and name CA)(resid 5 and name C)(resid 6 and name N) 1 140 30 2
assign (resid 8 and name N)(resid 8 and name CA)(resid 8 and name C)(resid 9 and name N) 1 145 20 2
assign (resid 9 and name N)(resid 9 and name CA)(resid 9 and name C)(resid 10 and name N) 1 -35 20 2
assign (resid 10 and name N)(resid 10 and name CA)(resid 10 and name C)(resid 11 and name N) 1 -24 30 2
assign (resid 11 and name N)(resid 11 and name CA)(resid 11 and name C)(resid 12 and name N) 1 -18 20 2
assign (resid 12 and name N)(resid 12 and name CA)(resid 12 and name C)(resid 13 and name N) 1 150 50 2
assign (resid 13 and name N)(resid 13 and name CA)(resid 13 and name C)(resid 14 and name N) 1 160 20 2
assign (resid 14 and name N)(resid 14 and name CA)(resid 14 and name C)(resid 15 and name N) 1 -36 20 2
assign (resid 15 and name N)(resid 15 and name CA)(resid 15 and name C)(resid 16 and name N) 1 -41 20 2
assign (resid 16 and name N)(resid 16 and name CA)(resid 16 and name C)(resid 17 and name N) 1 -44 20 2
assign (resid 17 and name N)(resid 17 and name CA)(resid 17 and name C)(resid 18 and name N) 1 -15 20 2
assign (resid 18 and name N)(resid 18 and name CA)(resid 18 and name C)(resid 19 and name N) 1 -30 20 2
assign (resid 19 and name N)(resid 19 and name CA)(resid 19 and name C)(resid 20 and name N) 1 -1 30 2
assign (resid 20 and name N)(resid 20 and name CA)(resid 20 and name C)(resid 21 and name N) 1 107 30 2
assign (resid 21 and name N)(resid 21 and name CA)(resid 21 and name C)(resid 22 and name N) 1 -30 20 2
assign (resid 22 and name N)(resid 22 and name CA)(resid 22 and name C)(resid 23 and name N) 1 -40 20 2
assign (resid 23 and name N)(resid 23 and name CA)(resid 23 and name C)(resid 24 and name N) 1 -44 20 2
assign (resid 24 and name N)(resid 24 and name CA)(resid 24 and name C)(resid 25 and name N) 1 -40 20 2
assign (resid 25 and name N)(resid 25 and name CA)(resid 25 and name C)(resid 26 and name N) 1 -30 30 2
assign (resid 26 and name N)(resid 26 and name CA)(resid 26 and name C)(resid 27 and name N) 1 -15 30 2
assign (resid 28 and name N)(resid 28 and name CA)(resid 28 and name C)(resid 29 and name N) 1 170 40 2
assign (resid 29 and name N)(resid 29 and name CA)(resid 29 and name C)(resid 30 and name N) 1 -40 20 2
assign (resid 30 and name N)(resid 30 and name CA)(resid 30 and name C)(resid 31 and name N) 1 -40 20 2
assign (resid 31 and name N)(resid 31 and name CA)(resid 31 and name C)(resid 32 and name N) 1 -34 20 2
assign (resid 32 and name N)(resid 32 and name CA)(resid 32 and name C)(resid 33 and name N) 1 5 20 2
assign (resid 33 and name N)(resid 33 and name CA)(resid 33 and name C)(resid 34 and name N) 1 37 30 2
assign (resid 5 and name C)(resid 6 and name N)(resid 6 and name CA)(resid 6 and name C) 1 -96 30 2
assign (resid 6 and name N)(resid 6 and name CA)(resid 6 and name C)(resid 7 and name N) 1 -22 30 2
assign (resid 6 and name C)(resid 7 and name N)(resid 7 and name CA)(resid 7 and name C) 1 -130 30 2
assign (resid 7 and name N)(resid 7 and name CA)(resid 7 and name C)(resid 8 and name N) 1 150 40 2
! chi
assign (resid  4 and name n) (resid  4 and name  ca) (resid  4 and name cb) (resid  4 and name cg)  1 -60.0 40.0 2
assign (resid  5 and name n) (resid  5 and name  ca) (resid  5 and name cb) (resid  5 and name cg)  1 -60.0 40.0 2
assign (resid  9 and name n) (resid  9 and name  ca) (resid  9 and name cb) (resid  9 and name cg)  1 -60.0 40.0 2
assign (resid  10 and name n) (resid  10 and name  ca) (resid  10 and name cb) (resid  10 and name cg)  1 -60.0 40.0 2
assign (resid  15 and name n) (resid  15 and name  ca) (resid  15 and name cb) (resid  15 and name cg)  1 -60.0 40.0 2
assign (resid  21 and name n) (resid  21 and name  ca) (resid  21 and name cb) (resid  21 and name cg)  1 -60.0 40.0 2
assign (resid  23 and name n) (resid  23 and name  ca) (resid  23 and name cb) (resid  23 and name cg)  1 -60.0 40.0 2
assign (resid  24 and name n) (resid  24 and name  ca) (resid  24 and name cb) (resid  24 and name cg)  1 -60.0 40.0 2

  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   2           HT1      ALA   2 -12.126   6.854   3.879
    2    H2   ALA   2           HT2      ALA   2 -12.061   7.440   5.491
    3    H3   ALA   2           HT3      ALA   2 -10.995   6.193   4.985
    4    HA   ALA   2           HA       ALA   2 -11.032   8.847   3.742
    5    HB1  ALA   2           HB1      ALA   2 -10.582   8.712   6.325
    6    HB2  ALA   2           HB2      ALA   2  -9.569   9.708   5.280
    7    HB3  ALA   2           HB3      ALA   2  -9.006   8.120   5.800
    8    H    CYS   3           HN       CYS   3  -9.019   6.082   4.764
    9    HA   CYS   3           HA       CYS   3  -7.565   6.323   2.215
   10    HB2  CYS   3           HB2      CYS   3  -5.801   4.932   3.454
   11    HB3  CYS   3           HB1      CYS   3  -5.985   6.614   3.934
   12    H    LYS   4           HN       LYS   4  -8.349   4.928   0.772
   13    HA   LYS   4           HA       LYS   4  -9.283   2.302   1.679
   14    HB2  LYS   4           HB2      LYS   4  -9.858   4.024  -0.681
   15    HB3  LYS   4           HB1      LYS   4  -9.964   2.283  -0.900
   16    HG2  LYS   4           HG2      LYS   4 -11.355   2.700   1.436
   17    HG3  LYS   4           HG1      LYS   4 -11.771   4.109   0.458
   18    HD2  LYS   4           HD2      LYS   4 -11.813   1.535  -0.968
   19    HD3  LYS   4           HD1      LYS   4 -13.027   1.711   0.301
   20    HE2  LYS   4           HE2      LYS   4 -13.881   3.710  -0.713
   21    HE3  LYS   4           HE1      LYS   4 -12.569   3.729  -1.890
   22    HZ1  LYS   4           HZ1      LYS   4 -14.969   2.709  -2.388
   23    HZ2  LYS   4           HZ2      LYS   4 -14.187   1.317  -1.829
   24    HZ3  LYS   4           HZ3      LYS   4 -13.558   2.167  -3.149
   25    H    ASP   5           HN       ASP   5  -8.954   0.626  -0.292
   26    HA   ASP   5           HA       ASP   5  -6.090   0.666  -0.905
   27    HB2  ASP   5           HB2      ASP   5  -6.063  -1.770  -0.595
   28    HB3  ASP   5           HB1      ASP   5  -6.565  -0.938   0.872
   29    H    TYR   6           HN       TYR   6  -5.465   0.167  -2.887
   30    HA   TYR   6           HA       TYR   6  -7.493  -0.136  -4.943
   31    HB2  TYR   6           HB2      TYR   6  -5.004   1.135  -4.821
   32    HB3  TYR   6           HB1      TYR   6  -4.752  -0.227  -5.905
   33    HD1  TYR   6           HD2      TYR   6  -7.134   2.585  -5.302
   34    HD2  TYR   6           HD1      TYR   6  -5.289   0.015  -8.147
   35    HE1  TYR   6           HE2      TYR   6  -8.182   3.860  -7.125
   36    HE2  TYR   6           HE1      TYR   6  -6.331   1.283  -9.977
   37    HH   TYR   6           HH       TYR   6  -7.326   4.082  -9.944
   38    H    LEU   7           HN       LEU   7  -5.619  -2.168  -3.044
   39    HA   LEU   7           HA       LEU   7  -6.212  -4.436  -4.773
   40    HB2  LEU   7           HB2      LEU   7  -3.478  -3.530  -4.004
   41    HB3  LEU   7           HB1      LEU   7  -3.780  -5.233  -4.101
   42    HG   LEU   7           HG       LEU   7  -4.624  -3.603  -6.420
   43   HD11  LEU   7          HD11      LEU   7  -1.781  -4.085  -5.616
   44   HD12  LEU   7          HD12      LEU   7  -2.539  -2.589  -6.163
   45   HD13  LEU   7          HD13      LEU   7  -2.247  -3.899  -7.307
   46   HD21  LEU   7          HD21      LEU   7  -4.670  -5.576  -7.445
   47   HD22  LEU   7          HD22      LEU   7  -4.436  -6.303  -5.859
   48   HD23  LEU   7          HD23      LEU   7  -3.047  -5.987  -6.894
   49    HA   PRO   8           HA       PRO   8  -6.757  -6.440  -0.871
   50    HB2  PRO   8           HB2      PRO   8  -6.054  -8.970  -1.226
   51    HB3  PRO   8           HB1      PRO   8  -7.367  -8.255  -2.172
   52    HG2  PRO   8           HG2      PRO   8  -4.549  -8.799  -2.937
   53    HG3  PRO   8           HG1      PRO   8  -6.030  -8.991  -3.890
   54    HD2  PRO   8           HD2      PRO   8  -4.280  -6.834  -4.018
   55    HD3  PRO   8           HD1      PRO   8  -5.930  -6.812  -4.633
   56    H    LYS   9           HN       LYS   9  -5.803  -7.638   0.894
   57    HA   LYS   9           HA       LYS   9  -3.505  -6.460   1.880
   58    HB2  LYS   9           HB2      LYS   9  -4.526  -9.179   2.697
   59    HB3  LYS   9           HB1      LYS   9  -3.587  -8.059   3.673
   60    HG2  LYS   9           HG2      LYS   9  -5.395  -6.925   4.310
   61    HG3  LYS   9           HG1      LYS   9  -6.058  -6.891   2.674
   62    HD2  LYS   9           HD2      LYS   9  -7.630  -8.236   3.586
   63    HD3  LYS   9           HD1      LYS   9  -6.427  -9.490   3.274
   64    HE2  LYS   9           HE2      LYS   9  -5.623  -9.349   5.538
   65    HE3  LYS   9           HE1      LYS   9  -6.673  -7.971   5.867
   66    HZ1  LYS   9           HZ1      LYS   9  -7.333 -10.430   6.516
   67    HZ2  LYS   9           HZ2      LYS   9  -7.945 -10.429   4.939
   68    HZ3  LYS   9           HZ3      LYS   9  -8.492  -9.284   6.058
   69    H    SER  10           HN       SER  10  -3.778  -9.122  -0.291
   70    HA   SER  10           HA       SER  10  -1.204 -10.249   0.265
   71    HB2  SER  10           HB2      SER  10  -3.387 -10.737  -1.690
   72    HB3  SER  10           HB1      SER  10  -1.769 -11.267  -2.149
   73    HG   SER  10           HG       SER  10  -2.579 -12.953  -1.044
   74    H    GLU  11           HN       GLU  11  -2.336  -7.623  -1.701
   75    HA   GLU  11           HA       GLU  11   0.125  -7.645  -3.291
   76    HB2  GLU  11           HB2      GLU  11  -2.582  -6.587  -3.587
   77    HB3  GLU  11           HB1      GLU  11  -1.343  -5.449  -4.080
   78    HG2  GLU  11           HG2      GLU  11  -0.953  -8.158  -5.108
   79    HG3  GLU  11           HG1      GLU  11  -2.452  -7.392  -5.642
   80    H    CYS  12           HN       CYS  12  -1.637  -5.682  -0.980
   81    HA   CYS  12           HA       CYS  12   0.601  -3.792  -0.911
   82    HB2  CYS  12           HB2      CYS  12  -2.300  -3.614  -0.355
   83    HB3  CYS  12           HB1      CYS  12  -1.249  -2.617   0.654
   84    H    THR  13           HN       THR  13   2.094  -4.523   0.413
   85    HA   THR  13           HA       THR  13   1.265  -5.611   3.016
   86    HB   THR  13           HB       THR  13   3.705  -6.479   2.997
   87    HG1  THR  13           HG1      THR  13   3.408  -6.046   0.219
   88   HG21  THR  13          HG21      THR  13   1.978  -7.609   0.803
   89   HG22  THR  13          HG22      THR  13   1.650  -7.876   2.519
   90   HG23  THR  13          HG23      THR  13   3.161  -8.448   1.812
   91    H    GLN  14           HN       GLN  14   2.169  -4.812   4.914
   92    HA   GLN  14           HA       GLN  14   2.693  -2.123   5.135
   93    HB2  GLN  14           HB2      GLN  14   3.949  -4.213   6.919
   94    HB3  GLN  14           HB1      GLN  14   3.531  -2.559   7.344
   95    HG2  GLN  14           HG2      GLN  14   1.667  -4.854   6.809
   96    HG3  GLN  14           HG1      GLN  14   1.897  -3.967   8.315
   97   HE21  GLN  14          HE21      GLN  14   0.245  -4.102   5.315
   98   HE22  GLN  14          HE22      GLN  14  -0.702  -2.672   5.516
   99    H    PHE  15           HN       PHE  15   4.804  -4.705   4.229
  100    HA   PHE  15           HA       PHE  15   7.303  -3.467   4.514
  101    HB2  PHE  15           HB2      PHE  15   6.174  -5.804   3.162
  102    HB3  PHE  15           HB1      PHE  15   7.548  -5.121   2.313
  103    HD1  PHE  15           HD1      PHE  15   9.710  -4.829   3.569
  104    HD2  PHE  15           HD2      PHE  15   6.451  -7.102   5.091
  105    HE1  PHE  15           HE1      PHE  15  11.236  -5.958   5.129
  106    HE2  PHE  15           HE2      PHE  15   7.972  -8.238   6.659
  107    HZ   PHE  15           HZ       PHE  15  10.369  -7.666   6.680
  108    H    ARG  16           HN       ARG  16   4.958  -3.495   1.876
  109    HA   ARG  16           HA       ARG  16   6.411  -2.227  -0.107
  110    HB2  ARG  16           HB2      ARG  16   3.467  -1.935   0.510
  111    HB3  ARG  16           HB1      ARG  16   4.229  -1.503  -1.005
  112    HG2  ARG  16           HG2      ARG  16   4.243  -4.265   0.140
  113    HG3  ARG  16           HG1      ARG  16   3.052  -3.678  -1.022
  114    HD2  ARG  16           HD2      ARG  16   5.009  -3.103  -2.523
  115    HD3  ARG  16           HD1      ARG  16   6.019  -4.018  -1.405
  116    HE   ARG  16           HE       ARG  16   3.892  -5.655  -2.127
  117   HH11  ARG  16          HH11      ARG  16   6.625  -4.119  -3.659
  118   HH12  ARG  16          HH12      ARG  16   6.790  -5.341  -4.874
  119   HH21  ARG  16          HH21      ARG  16   4.107  -7.265  -3.723
  120   HH22  ARG  16          HH22      ARG  16   5.360  -7.128  -4.911
  121    H    CYS  17           HN       CYS  17   4.421  -0.711   2.430
  122    HA   CYS  17           HA       CYS  17   5.045   1.922   1.581
  123    HB2  CYS  17           HB2      CYS  17   3.762   0.748   4.001
  124    HB3  CYS  17           HB1      CYS  17   4.272   2.430   4.027
  125    H    ARG  18           HN       ARG  18   6.698  -0.379   3.480
  126    HA   ARG  18           HA       ARG  18   8.292   1.316   5.067
  127    HB2  ARG  18           HB2      ARG  18   8.049  -1.435   4.673
  128    HB3  ARG  18           HB1      ARG  18   9.707  -1.053   4.175
  129    HG2  ARG  18           HG2      ARG  18   8.587  -0.099   6.801
  130    HG3  ARG  18           HG1      ARG  18   9.281  -1.711   6.620
  131    HD2  ARG  18           HD2      ARG  18  11.021   0.242   5.439
  132    HD3  ARG  18           HD1      ARG  18  10.632   0.711   7.093
  133    HE   ARG  18           HE       ARG  18  12.224  -1.533   6.251
  134   HH11  ARG  18          HH11      ARG  18  10.275  -0.202   8.822
  135   HH12  ARG  18          HH12      ARG  18  11.041  -1.142  10.058
  136   HH21  ARG  18          HH21      ARG  18  13.233  -2.770   7.875
  137   HH22  ARG  18          HH22      ARG  18  12.721  -2.600   9.521
  138    H    THR  19           HN       THR  19   8.884  -0.286   2.043
  139    HA   THR  19           HA       THR  19  11.213   1.430   1.598
  140    HB   THR  19           HB       THR  19  11.813  -0.800   1.989
  141    HG1  THR  19           HG1      THR  19  12.810   0.160   0.108
  142   HG21  THR  19          HG21      THR  19   9.722  -1.895   1.727
  143   HG22  THR  19          HG22      THR  19  10.938  -2.697   0.723
  144   HG23  THR  19          HG23      THR  19   9.746  -1.627  -0.019
  145    H    SER  20           HN       SER  20   8.267   0.217   0.108
  146    HA   SER  20           HA       SER  20   8.953   1.586  -2.398
  147    HB2  SER  20           HB2      SER  20   6.535  -0.158  -1.979
  148    HB3  SER  20           HB1      SER  20   7.355   0.241  -3.489
  149    HG   SER  20           HG       SER  20   7.864  -1.755  -1.712
  150    H    MET  21           HN       MET  21   8.179   3.542  -2.784
  151    HA   MET  21           HA       MET  21   6.156   4.714  -1.105
  152    HB2  MET  21           HB2      MET  21   8.021   5.650  -3.205
  153    HB3  MET  21           HB1      MET  21   6.534   6.569  -3.028
  154    HG2  MET  21           HG2      MET  21   7.099   7.366  -0.981
  155    HG3  MET  21           HG1      MET  21   8.050   5.943  -0.566
  156    HE1  MET  21           HE1      MET  21  10.109   5.290  -1.912
  157    HE2  MET  21           HE2      MET  21  11.374   6.443  -2.335
  158    HE3  MET  21           HE3      MET  21  10.097   6.072  -3.493
  159    H    LYS  22           HN       LYS  22   6.361   3.558  -4.420
  160    HA   LYS  22           HA       LYS  22   4.062   4.610  -5.514
  161    HB2  LYS  22           HB2      LYS  22   5.849   3.235  -6.653
  162    HB3  LYS  22           HB1      LYS  22   5.043   1.805  -6.025
  163    HG2  LYS  22           HG2      LYS  22   4.174   1.956  -8.146
  164    HG3  LYS  22           HG1      LYS  22   2.946   2.789  -7.193
  165    HD2  LYS  22           HD2      LYS  22   3.375   4.780  -8.155
  166    HD3  LYS  22           HD1      LYS  22   5.118   4.506  -8.174
  167    HE2  LYS  22           HE2      LYS  22   4.184   2.681 -10.008
  168    HE3  LYS  22           HE1      LYS  22   3.125   4.068 -10.260
  169    HZ1  LYS  22           HZ1      LYS  22   4.875   4.546 -11.640
  170    HZ2  LYS  22           HZ2      LYS  22   6.036   3.869 -10.613
  171    HZ3  LYS  22           HZ3      LYS  22   5.351   5.369 -10.240
  172    H    TYR  23           HN       TYR  23   4.334   1.444  -3.898
  173    HA   TYR  23           HA       TYR  23   1.669   0.692  -4.095
  174    HB2  TYR  23           HB2      TYR  23   3.860  -0.009  -2.183
  175    HB3  TYR  23           HB1      TYR  23   2.239  -0.652  -1.948
  176    HD1  TYR  23           HD2      TYR  23   4.348  -0.114  -4.975
  177    HD2  TYR  23           HD1      TYR  23   2.181  -2.860  -2.565
  178    HE1  TYR  23           HE2      TYR  23   4.844  -1.910  -6.587
  179    HE2  TYR  23           HE1      TYR  23   2.668  -4.663  -4.157
  180    HH   TYR  23           HH       TYR  23   3.248  -4.679  -6.802
  181    H    ARG  24           HN       ARG  24   3.175   2.889  -1.888
  182    HA   ARG  24           HA       ARG  24   1.155   2.818   0.119
  183    HB2  ARG  24           HB2      ARG  24   2.790   5.268  -0.232
  184    HB3  ARG  24           HB1      ARG  24   2.387   4.392   1.234
  185    HG2  ARG  24           HG2      ARG  24   3.974   2.602   0.446
  186    HG3  ARG  24           HG1      ARG  24   4.492   3.733  -0.799
  187    HD2  ARG  24           HD2      ARG  24   5.007   5.376   0.998
  188    HD3  ARG  24           HD1      ARG  24   4.656   4.119   2.183
  189    HE   ARG  24           HE       ARG  24   6.502   2.889   0.747
  190   HH11  ARG  24          HH11      ARG  24   6.439   6.191   1.905
  191   HH12  ARG  24          HH12      ARG  24   8.162   6.319   2.000
  192   HH21  ARG  24          HH21      ARG  24   8.765   3.066   0.884
  193   HH22  ARG  24          HH22      ARG  24   9.482   4.547   1.422
  194    H    LEU  25           HN       LEU  25   1.953   5.419  -2.169
  195    HA   LEU  25           HA       LEU  25  -0.678   6.579  -1.728
  196    HB2  LEU  25           HB2      LEU  25   1.507   7.667  -3.475
  197    HB3  LEU  25           HB1      LEU  25   0.185   8.542  -2.721
  198    HG   LEU  25           HG       LEU  25   1.904   9.175  -1.348
  199   HD11  LEU  25          HD11      LEU  25   1.379   8.380   0.687
  200   HD12  LEU  25          HD12      LEU  25   1.678   6.703   0.232
  201   HD13  LEU  25          HD13      LEU  25   0.147   7.472  -0.188
  202   HD21  LEU  25          HD21      LEU  25   3.906   8.314  -1.748
  203   HD22  LEU  25          HD22      LEU  25   3.199   6.861  -2.450
  204   HD23  LEU  25          HD23      LEU  25   3.482   6.952  -0.711
  205    H    ASN  26           HN       ASN  26   1.240   5.255  -4.366
  206    HA   ASN  26           HA       ASN  26  -0.618   5.906  -6.403
  207    HB2  ASN  26           HB2      ASN  26   1.941   5.259  -6.438
  208    HB3  ASN  26           HB1      ASN  26   1.287   3.649  -6.739
  209   HD21  ASN  26          HD21      ASN  26   1.115   6.993  -7.867
  210   HD22  ASN  26          HD22      ASN  26   0.835   6.606  -9.527
  211    H    LEU  27           HN       LEU  27  -0.134   2.958  -4.469
  212    HA   LEU  27           HA       LEU  27  -2.373   1.741  -5.925
  213    HB2  LEU  27           HB2      LEU  27  -0.051   0.661  -4.472
  214    HB3  LEU  27           HB1      LEU  27  -1.543  -0.233  -4.270
  215    HG   LEU  27           HG       LEU  27  -1.720  -0.340  -6.775
  216   HD11  LEU  27          HD11      LEU  27   0.912   1.026  -6.503
  217   HD12  LEU  27          HD12      LEU  27  -0.387   1.297  -7.665
  218   HD13  LEU  27          HD13      LEU  27   0.661  -0.113  -7.826
  219   HD21  LEU  27          HD21      LEU  27   0.793  -1.608  -5.721
  220   HD22  LEU  27          HD22      LEU  27  -0.320  -2.230  -6.940
  221   HD23  LEU  27          HD23      LEU  27  -0.820  -2.146  -5.251
  222    H    CYS  28           HN       CYS  28  -1.781   0.565  -2.703
  223    HA   CYS  28           HA       CYS  28  -4.433   1.555  -1.962
  224    HB2  CYS  28           HB2      CYS  28  -2.957  -0.203  -0.099
  225    HB3  CYS  28           HB1      CYS  28  -4.631  -0.276  -0.619
  226    H    LYS  29           HN       LYS  29  -4.836   2.710  -0.115
  227    HA   LYS  29           HA       LYS  29  -2.653   4.356   0.804
  228    HB2  LYS  29           HB2      LYS  29  -5.569   4.373   1.591
  229    HB3  LYS  29           HB1      LYS  29  -4.385   5.610   1.994
  230    HG2  LYS  29           HG2      LYS  29  -4.243   5.358  -0.776
  231    HG3  LYS  29           HG1      LYS  29  -5.964   5.279  -0.394
  232    HD2  LYS  29           HD2      LYS  29  -5.625   7.556  -0.624
  233    HD3  LYS  29           HD1      LYS  29  -5.454   7.334   1.118
  234    HE2  LYS  29           HE2      LYS  29  -2.964   7.106   0.701
  235    HE3  LYS  29           HE1      LYS  29  -3.282   7.681  -0.935
  236    HZ1  LYS  29           HZ1      LYS  29  -3.791   9.766  -0.204
  237    HZ2  LYS  29           HZ2      LYS  29  -2.655   9.332   0.972
  238    HZ3  LYS  29           HZ3      LYS  29  -4.308   9.247   1.322
  239    H    LYS  30           HN       LYS  30  -5.147   2.421   2.425
  240    HA   LYS  30           HA       LYS  30  -3.653   2.391   4.881
  241    HB2  LYS  30           HB2      LYS  30  -6.018   2.577   5.060
  242    HB3  LYS  30           HB1      LYS  30  -6.269   1.160   4.049
  243    HG2  LYS  30           HG2      LYS  30  -6.674   0.377   6.190
  244    HG3  LYS  30           HG1      LYS  30  -5.008  -0.117   5.878
  245    HD2  LYS  30           HD2      LYS  30  -4.690   0.803   7.924
  246    HD3  LYS  30           HD1      LYS  30  -4.537   2.274   6.960
  247    HE2  LYS  30           HE2      LYS  30  -6.002   2.781   8.758
  248    HE3  LYS  30           HE1      LYS  30  -6.999   2.636   7.312
  249    HZ1  LYS  30           HZ1      LYS  30  -6.700   0.674   9.512
  250    HZ2  LYS  30           HZ2      LYS  30  -7.423   0.285   8.034
  251    HZ3  LYS  30           HZ3      LYS  30  -8.106   1.477   9.020
  252    H    THR  31           HN       THR  31  -4.850  -0.192   2.715
  253    HA   THR  31           HA       THR  31  -3.847  -2.369   3.991
  254    HB   THR  31           HB       THR  31  -3.829  -1.941   1.003
  255    HG1  THR  31           HG1      THR  31  -5.806  -3.085   2.684
  256   HG21  THR  31          HG21      THR  31  -4.143  -4.557   2.417
  257   HG22  THR  31          HG22      THR  31  -2.565  -3.952   1.915
  258   HG23  THR  31          HG23      THR  31  -3.821  -4.250   0.711
  259    H    CYS  32           HN       CYS  32  -2.006  -0.074   2.111
  260    HA   CYS  32           HA       CYS  32   0.380  -1.693   2.091
  261    HB2  CYS  32           HB2      CYS  32   0.127  -0.167   0.274
  262    HB3  CYS  32           HB1      CYS  32  -0.125   1.192   1.360
  263    H    GLY  33           HN       GLY  33  -1.102   0.337   4.369
  264    HA2  GLY  33           HA2      GLY  33  -0.407   0.562   6.600
  265    HA3  GLY  33           HA1      GLY  33   1.213   0.081   6.120
  266    H    THR  34           HN       THR  34  -0.975   2.696   5.096
  267    HA   THR  34           HA       THR  34   0.832   4.692   6.167
  268    HB   THR  34           HB       THR  34   1.809   4.237   3.960
  269    HG1  THR  34           HG1      THR  34   1.840   6.363   3.279
  270   HG21  THR  34          HG21      THR  34  -0.892   5.005   2.903
  271   HG22  THR  34          HG22      THR  34  -0.033   3.481   2.659
  272   HG23  THR  34          HG23      THR  34   0.580   4.968   1.932
  273    H    CYS  35           HN       CYS  35  -2.180   3.866   4.573
  274    HA   CYS  35           HA       CYS  35  -4.241   4.808   4.628
  275    HB2  CYS  35           HB2      CYS  35  -3.759   4.877   7.088
  276    HB3  CYS  35           HB1      CYS  35  -3.170   6.522   6.873
  Start of MODEL    2
    1    H1   ALA   2           HT1      ALA   2 -12.174   7.938   2.570
    2    H2   ALA   2           HT2      ALA   2 -11.901   7.075   1.113
    3    H3   ALA   2           HT3      ALA   2 -12.719   8.583   1.079
    4    HA   ALA   2           HA       ALA   2 -10.669   9.158   0.394
    5    HB1  ALA   2           HB1      ALA   2  -9.513   9.958   2.664
    6    HB2  ALA   2           HB2      ALA   2 -11.120   9.582   3.286
    7    HB3  ALA   2           HB3      ALA   2 -10.931  10.753   1.981
    8    H    CYS   3           HN       CYS   3 -10.411   6.828   3.043
    9    HA   CYS   3           HA       CYS   3  -7.743   6.082   2.043
   10    HB2  CYS   3           HB2      CYS   3  -8.664   6.645   4.678
   11    HB3  CYS   3           HB1      CYS   3  -8.252   4.935   4.610
   12    H    LYS   4           HN       LYS   4  -7.755   4.296   0.860
   13    HA   LYS   4           HA       LYS   4  -9.164   1.940   1.795
   14    HB2  LYS   4           HB2      LYS   4  -9.802   3.274  -0.835
   15    HB3  LYS   4           HB1      LYS   4 -10.174   1.587  -0.507
   16    HG2  LYS   4           HG2      LYS   4 -11.206   3.927   1.082
   17    HG3  LYS   4           HG1      LYS   4 -12.102   3.068  -0.172
   18    HD2  LYS   4           HD2      LYS   4 -11.484   0.972   1.307
   19    HD3  LYS   4           HD1      LYS   4 -11.355   2.194   2.575
   20    HE2  LYS   4           HE2      LYS   4 -13.598   2.755   2.442
   21    HE3  LYS   4           HE1      LYS   4 -13.761   2.128   0.802
   22    HZ1  LYS   4           HZ1      LYS   4 -13.938  -0.025   1.548
   23    HZ2  LYS   4           HZ2      LYS   4 -14.743   0.810   2.779
   24    HZ3  LYS   4           HZ3      LYS   4 -13.153   0.286   3.015
   25    H    ASP   5           HN       ASP   5  -8.834   0.156  -0.023
   26    HA   ASP   5           HA       ASP   5  -5.978   0.218  -0.665
   27    HB2  ASP   5           HB2      ASP   5  -6.044  -2.228  -0.501
   28    HB3  ASP   5           HB1      ASP   5  -6.629  -1.479   0.979
   29    H    TYR   6           HN       TYR   6  -5.436   0.263  -2.713
   30    HA   TYR   6           HA       TYR   6  -7.385   0.032  -4.808
   31    HB2  TYR   6           HB2      TYR   6  -5.305   1.586  -4.692
   32    HB3  TYR   6           HB1      TYR   6  -4.416   0.181  -5.272
   33    HD1  TYR   6           HD1      TYR   6  -7.356   2.325  -6.094
   34    HD2  TYR   6           HD2      TYR   6  -4.292  -0.239  -7.558
   35    HE1  TYR   6           HE1      TYR   6  -7.997   2.885  -8.401
   36    HE2  TYR   6           HE2      TYR   6  -4.925   0.315  -9.869
   37    HH   TYR   6           HH       TYR   6  -6.787   1.161 -11.116
   38    H    LEU   7           HN       LEU   7  -5.756  -2.267  -3.096
   39    HA   LEU   7           HA       LEU   7  -6.231  -4.289  -5.109
   40    HB2  LEU   7           HB2      LEU   7  -3.493  -3.493  -4.223
   41    HB3  LEU   7           HB1      LEU   7  -3.815  -5.164  -4.573
   42    HG   LEU   7           HG       LEU   7  -4.652  -3.271  -6.667
   43   HD11  LEU   7          HD11      LEU   7  -2.718  -2.120  -6.532
   44   HD12  LEU   7          HD12      LEU   7  -2.082  -3.525  -7.389
   45   HD13  LEU   7          HD13      LEU   7  -1.895  -3.399  -5.639
   46   HD21  LEU   7          HD21      LEU   7  -4.006  -6.038  -6.366
   47   HD22  LEU   7          HD22      LEU   7  -2.963  -5.327  -7.597
   48   HD23  LEU   7          HD23      LEU   7  -4.716  -5.207  -7.750
   49    HA   PRO   8           HA       PRO   8  -6.905  -7.102  -1.793
   50    HB2  PRO   8           HB2      PRO   8  -4.563  -8.747  -2.596
   51    HB3  PRO   8           HB1      PRO   8  -6.249  -9.224  -2.342
   52    HG2  PRO   8           HG2      PRO   8  -5.350  -9.005  -4.774
   53    HG3  PRO   8           HG1      PRO   8  -6.936  -8.322  -4.360
   54    HD2  PRO   8           HD2      PRO   8  -4.296  -6.900  -4.655
   55    HD3  PRO   8           HD1      PRO   8  -5.873  -6.448  -5.333
   56    H    LYS   9           HN       LYS   9  -6.067  -8.137   0.049
   57    HA   LYS   9           HA       LYS   9  -4.484  -6.429   1.628
   58    HB2  LYS   9           HB2      LYS   9  -5.050  -9.351   2.148
   59    HB3  LYS   9           HB1      LYS   9  -4.606  -8.137   3.341
   60    HG2  LYS   9           HG2      LYS   9  -6.990  -7.468   1.783
   61    HG3  LYS   9           HG1      LYS   9  -7.147  -8.922   2.769
   62    HD2  LYS   9           HD2      LYS   9  -6.292  -7.586   4.711
   63    HD3  LYS   9           HD1      LYS   9  -6.403  -6.150   3.690
   64    HE2  LYS   9           HE2      LYS   9  -8.392  -6.241   4.989
   65    HE3  LYS   9           HE1      LYS   9  -8.825  -6.702   3.343
   66    HZ1  LYS   9           HZ1      LYS   9  -8.283  -9.082   4.399
   67    HZ2  LYS   9           HZ2      LYS   9  -9.828  -8.395   4.403
   68    HZ3  LYS   9           HZ3      LYS   9  -8.850  -8.282   5.778
   69    H    SER  10           HN       SER  10  -3.609  -8.922  -0.564
   70    HA   SER  10           HA       SER  10  -1.012  -9.402   0.607
   71    HB2  SER  10           HB2      SER  10  -2.614 -10.973  -0.873
   72    HB3  SER  10           HB1      SER  10  -1.586 -10.326  -2.151
   73    HG   SER  10           HG       SER  10  -0.775 -11.729   0.176
   74    H    GLU  11           HN       GLU  11  -2.303  -7.659  -2.217
   75    HA   GLU  11           HA       GLU  11   0.161  -7.086  -3.427
   76    HB2  GLU  11           HB2      GLU  11  -2.599  -6.284  -3.692
   77    HB3  GLU  11           HB1      GLU  11  -1.531  -4.900  -3.919
   78    HG2  GLU  11           HG2      GLU  11  -0.737  -7.348  -5.340
   79    HG3  GLU  11           HG1      GLU  11  -2.266  -6.639  -5.854
   80    H    CYS  12           HN       CYS  12  -1.656  -5.401  -0.956
   81    HA   CYS  12           HA       CYS  12   0.517  -3.441  -0.773
   82    HB2  CYS  12           HB2      CYS  12  -1.483  -2.547   0.936
   83    HB3  CYS  12           HB1      CYS  12  -1.148  -1.966  -0.691
   84    H    THR  13           HN       THR  13   2.025  -4.228   0.470
   85    HA   THR  13           HA       THR  13   1.254  -5.408   3.053
   86    HB   THR  13           HB       THR  13   3.637  -6.418   2.884
   87    HG1  THR  13           HG1      THR  13   3.219  -5.924   0.134
   88   HG21  THR  13          HG21      THR  13   1.415  -7.629   2.437
   89   HG22  THR  13          HG22      THR  13   2.895  -8.335   1.789
   90   HG23  THR  13          HG23      THR  13   1.813  -7.429   0.727
   91    H    GLN  14           HN       GLN  14   2.357  -4.758   4.919
   92    HA   GLN  14           HA       GLN  14   3.035  -2.111   5.211
   93    HB2  GLN  14           HB2      GLN  14   4.350  -4.306   6.810
   94    HB3  GLN  14           HB1      GLN  14   3.973  -2.670   7.333
   95    HG2  GLN  14           HG2      GLN  14   2.071  -4.942   6.844
   96    HG3  GLN  14           HG1      GLN  14   2.393  -4.094   8.354
   97   HE21  GLN  14          HE21      GLN  14   0.475  -4.228   5.553
   98   HE22  GLN  14          HE22      GLN  14  -0.426  -2.777   5.814
   99    H    PHE  15           HN       PHE  15   4.922  -4.739   4.018
  100    HA   PHE  15           HA       PHE  15   7.498  -3.634   4.164
  101    HB2  PHE  15           HB2      PHE  15   6.164  -5.884   2.863
  102    HB3  PHE  15           HB1      PHE  15   7.498  -5.248   1.920
  103    HD1  PHE  15           HD1      PHE  15   9.756  -5.039   3.048
  104    HD2  PHE  15           HD2      PHE  15   6.534  -7.271   4.702
  105    HE1  PHE  15           HE1      PHE  15  11.344  -6.267   4.464
  106    HE2  PHE  15           HE2      PHE  15   8.116  -8.506   6.126
  107    HZ   PHE  15           HZ       PHE  15  10.526  -8.005   6.009
  108    H    ARG  16           HN       ARG  16   4.987  -3.476   1.673
  109    HA   ARG  16           HA       ARG  16   6.449  -2.200  -0.327
  110    HB2  ARG  16           HB2      ARG  16   3.524  -1.720   0.242
  111    HB3  ARG  16           HB1      ARG  16   4.348  -1.575  -1.296
  112    HG2  ARG  16           HG2      ARG  16   4.008  -4.135   0.212
  113    HG3  ARG  16           HG1      ARG  16   2.971  -3.597  -1.105
  114    HD2  ARG  16           HD2      ARG  16   5.149  -3.423  -2.463
  115    HD3  ARG  16           HD1      ARG  16   5.856  -4.414  -1.188
  116    HE   ARG  16           HE       ARG  16   3.427  -5.473  -2.331
  117   HH11  ARG  16          HH11      ARG  16   6.911  -5.380  -2.530
  118   HH12  ARG  16          HH12      ARG  16   7.026  -6.887  -3.376
  119   HH21  ARG  16          HH21      ARG  16   3.579  -7.454  -3.442
  120   HH22  ARG  16          HH22      ARG  16   5.136  -8.063  -3.895
  121    H    CYS  17           HN       CYS  17   4.516  -0.754   2.291
  122    HA   CYS  17           HA       CYS  17   5.051   1.914   1.528
  123    HB2  CYS  17           HB2      CYS  17   4.033   0.613   4.016
  124    HB3  CYS  17           HB1      CYS  17   4.484   2.312   4.040
  125    H    ARG  18           HN       ARG  18   6.900  -0.430   3.190
  126    HA   ARG  18           HA       ARG  18   8.602   1.272   4.678
  127    HB2  ARG  18           HB2      ARG  18   8.298  -1.481   4.337
  128    HB3  ARG  18           HB1      ARG  18   9.926  -1.126   3.732
  129    HG2  ARG  18           HG2      ARG  18   8.843  -0.415   6.467
  130    HG3  ARG  18           HG1      ARG  18   9.951  -1.736   6.095
  131    HD2  ARG  18           HD2      ARG  18  10.980   0.708   5.014
  132    HD3  ARG  18           HD1      ARG  18  10.579   0.941   6.714
  133    HE   ARG  18           HE       ARG  18  12.254  -0.533   7.298
  134   HH11  ARG  18          HH11      ARG  18  11.802  -0.573   3.835
  135   HH12  ARG  18          HH12      ARG  18  13.247  -1.477   3.534
  136   HH21  ARG  18          HH21      ARG  18  14.153  -1.721   6.899
  137   HH22  ARG  18          HH22      ARG  18  14.581  -2.128   5.271
  138    H    THR  19           HN       THR  19   8.978  -0.379   1.643
  139    HA   THR  19           HA       THR  19  11.296   1.302   1.031
  140    HB   THR  19           HB       THR  19  11.894  -0.932   1.405
  141    HG1  THR  19           HG1      THR  19  11.641  -0.659  -1.420
  142   HG21  THR  19          HG21      THR  19  10.907  -2.828   0.204
  143   HG22  THR  19          HG22      THR  19   9.671  -1.742  -0.437
  144   HG23  THR  19          HG23      THR  19   9.791  -2.012   1.306
  145    H    SER  20           HN       SER  20   8.263   0.079  -0.256
  146    HA   SER  20           HA       SER  20   8.776   1.363  -2.836
  147    HB2  SER  20           HB2      SER  20   6.909  -0.732  -1.862
  148    HB3  SER  20           HB1      SER  20   6.333   0.300  -3.171
  149    HG   SER  20           HG       SER  20   8.137  -1.714  -3.241
  150    H    MET  21           HN       MET  21   8.195   3.407  -3.110
  151    HA   MET  21           HA       MET  21   6.361   4.717  -1.322
  152    HB2  MET  21           HB2      MET  21   8.273   5.509  -3.402
  153    HB3  MET  21           HB1      MET  21   6.835   6.518  -3.336
  154    HG2  MET  21           HG2      MET  21   7.458   7.491  -1.430
  155    HG3  MET  21           HG1      MET  21   8.004   5.975  -0.720
  156    HE1  MET  21           HE1      MET  21  11.638   6.443  -0.559
  157    HE2  MET  21           HE2      MET  21  10.362   5.226  -0.525
  158    HE3  MET  21           HE3      MET  21  10.203   6.697   0.434
  159    H    LYS  22           HN       LYS  22   6.217   3.378  -4.536
  160    HA   LYS  22           HA       LYS  22   3.920   4.739  -5.447
  161    HB2  LYS  22           HB2      LYS  22   5.450   3.577  -6.953
  162    HB3  LYS  22           HB1      LYS  22   5.005   2.034  -6.238
  163    HG2  LYS  22           HG2      LYS  22   2.584   3.097  -7.005
  164    HG3  LYS  22           HG1      LYS  22   3.677   3.589  -8.299
  165    HD2  LYS  22           HD2      LYS  22   4.077   0.822  -7.488
  166    HD3  LYS  22           HD1      LYS  22   2.433   1.132  -8.049
  167    HE2  LYS  22           HE2      LYS  22   3.460   0.630 -10.034
  168    HE3  LYS  22           HE1      LYS  22   3.677   2.380  -9.996
  169    HZ1  LYS  22           HZ1      LYS  22   5.651   0.255  -9.685
  170    HZ2  LYS  22           HZ2      LYS  22   5.876   1.647  -8.750
  171    HZ3  LYS  22           HZ3      LYS  22   5.795   1.765 -10.435
  172    H    TYR  23           HN       TYR  23   4.281   1.563  -3.895
  173    HA   TYR  23           HA       TYR  23   1.595   0.791  -4.038
  174    HB2  TYR  23           HB2      TYR  23   3.875   0.025  -2.254
  175    HB3  TYR  23           HB1      TYR  23   2.267  -0.634  -1.979
  176    HD1  TYR  23           HD1      TYR  23   4.278   0.020  -5.053
  177    HD2  TYR  23           HD2      TYR  23   2.164  -2.809  -2.692
  178    HE1  TYR  23           HE1      TYR  23   4.712  -1.712  -6.751
  179    HE2  TYR  23           HE2      TYR  23   2.589  -4.548  -4.370
  180    HH   TYR  23           HH       TYR  23   4.465  -4.898  -6.230
  181    H    ARG  24           HN       ARG  24   3.248   2.850  -1.784
  182    HA   ARG  24           HA       ARG  24   1.366   2.721   0.323
  183    HB2  ARG  24           HB2      ARG  24   2.807   5.269   0.024
  184    HB3  ARG  24           HB1      ARG  24   2.698   4.195   1.405
  185    HG2  ARG  24           HG2      ARG  24   4.297   2.677   0.126
  186    HG3  ARG  24           HG1      ARG  24   4.564   4.061  -0.930
  187    HD2  ARG  24           HD2      ARG  24   5.307   5.398   0.935
  188    HD3  ARG  24           HD1      ARG  24   4.937   4.091   2.060
  189    HE   ARG  24           HE       ARG  24   6.688   2.872   0.505
  190   HH11  ARG  24          HH11      ARG  24   6.796   6.108   1.831
  191   HH12  ARG  24          HH12      ARG  24   8.525   6.159   1.884
  192   HH21  ARG  24          HH21      ARG  24   8.961   2.948   0.587
  193   HH22  ARG  24          HH22      ARG  24   9.753   4.368   1.180
  194    H    LEU  25           HN       LEU  25   1.896   5.400  -1.962
  195    HA   LEU  25           HA       LEU  25  -0.721   6.467  -1.271
  196    HB2  LEU  25           HB2      LEU  25   1.282   7.640  -3.179
  197    HB3  LEU  25           HB1      LEU  25  -0.019   8.467  -2.337
  198    HG   LEU  25           HG       LEU  25   1.773   9.164  -1.091
  199   HD11  LEU  25          HD11      LEU  25   0.132   7.453   0.192
  200   HD12  LEU  25          HD12      LEU  25   1.418   8.363   0.982
  201   HD13  LEU  25          HD13      LEU  25   1.690   6.688   0.504
  202   HD21  LEU  25          HD21      LEU  25   3.067   6.910  -2.281
  203   HD22  LEU  25          HD22      LEU  25   3.427   6.950  -0.555
  204   HD23  LEU  25          HD23      LEU  25   3.779   8.353  -1.563
  205    H    ASN  26           HN       ASN  26   0.988   5.283  -4.123
  206    HA   ASN  26           HA       ASN  26  -1.102   5.896  -5.936
  207    HB2  ASN  26           HB2      ASN  26   1.480   5.341  -6.241
  208    HB3  ASN  26           HB1      ASN  26   0.826   3.738  -6.579
  209   HD21  ASN  26          HD21      ASN  26   0.555   3.386  -8.651
  210   HD22  ASN  26          HD22      ASN  26   0.086   4.551  -9.836
  211    H    LEU  27           HN       LEU  27  -0.280   2.934  -4.149
  212    HA   LEU  27           HA       LEU  27  -2.536   1.594  -5.440
  213    HB2  LEU  27           HB2      LEU  27  -0.188   0.640  -3.877
  214    HB3  LEU  27           HB1      LEU  27  -1.630  -0.353  -3.917
  215    HG   LEU  27           HG       LEU  27  -1.498  -0.216  -6.451
  216   HD11  LEU  27          HD11      LEU  27   0.162   1.729  -6.298
  217   HD12  LEU  27          HD12      LEU  27   0.461   0.473  -7.499
  218   HD13  LEU  27          HD13      LEU  27   1.377   0.488  -5.992
  219   HD21  LEU  27          HD21      LEU  27   0.914  -1.583  -5.358
  220   HD22  LEU  27          HD22      LEU  27  -0.276  -2.156  -6.526
  221   HD23  LEU  27          HD23      LEU  27  -0.688  -2.081  -4.813
  222    H    CYS  28           HN       CYS  28  -1.885   0.382  -2.287
  223    HA   CYS  28           HA       CYS  28  -4.511   1.324  -1.450
  224    HB2  CYS  28           HB2      CYS  28  -2.664  -0.494   0.089
  225    HB3  CYS  28           HB1      CYS  28  -4.415  -0.365   0.218
  226    H    LYS  29           HN       LYS  29  -4.911   2.514   0.374
  227    HA   LYS  29           HA       LYS  29  -2.772   4.263   1.202
  228    HB2  LYS  29           HB2      LYS  29  -5.705   4.168   1.911
  229    HB3  LYS  29           HB1      LYS  29  -4.586   5.376   2.531
  230    HG2  LYS  29           HG2      LYS  29  -4.299   5.315  -0.285
  231    HG3  LYS  29           HG1      LYS  29  -6.025   5.367   0.081
  232    HD2  LYS  29           HD2      LYS  29  -5.914   7.460   0.918
  233    HD3  LYS  29           HD1      LYS  29  -4.347   7.181   1.680
  234    HE2  LYS  29           HE2      LYS  29  -3.173   7.765  -0.207
  235    HE3  LYS  29           HE1      LYS  29  -4.497   7.340  -1.291
  236    HZ1  LYS  29           HZ1      LYS  29  -4.585   9.604  -1.371
  237    HZ2  LYS  29           HZ2      LYS  29  -4.056   9.811   0.222
  238    HZ3  LYS  29           HZ3      LYS  29  -5.649   9.332  -0.083
  239    H    LYS  30           HN       LYS  30  -5.148   2.270   2.917
  240    HA   LYS  30           HA       LYS  30  -3.571   2.341   5.328
  241    HB2  LYS  30           HB2      LYS  30  -5.949   2.484   5.563
  242    HB3  LYS  30           HB1      LYS  30  -6.178   0.995   4.653
  243    HG2  LYS  30           HG2      LYS  30  -6.456   0.323   6.850
  244    HG3  LYS  30           HG1      LYS  30  -4.777  -0.101   6.504
  245    HD2  LYS  30           HD2      LYS  30  -3.937   1.645   7.770
  246    HD3  LYS  30           HD1      LYS  30  -5.443   2.560   7.689
  247    HE2  LYS  30           HE2      LYS  30  -6.407   1.391   9.395
  248    HE3  LYS  30           HE1      LYS  30  -5.514  -0.085   9.031
  249    HZ1  LYS  30           HZ1      LYS  30  -3.621   0.717  10.120
  250    HZ2  LYS  30           HZ2      LYS  30  -4.901   1.133  11.144
  251    HZ3  LYS  30           HZ3      LYS  30  -4.191   2.310  10.158
  252    H    THR  31           HN       THR  31  -4.823  -0.302   3.293
  253    HA   THR  31           HA       THR  31  -3.737  -2.433   4.564
  254    HB   THR  31           HB       THR  31  -3.858  -2.083   1.572
  255    HG1  THR  31           HG1      THR  31  -5.771  -3.041   3.434
  256   HG21  THR  31          HG21      THR  31  -4.142  -4.499   1.505
  257   HG22  THR  31          HG22      THR  31  -3.874  -4.576   3.247
  258   HG23  THR  31          HG23      THR  31  -2.579  -4.041   2.180
  259    H    CYS  32           HN       CYS  32  -1.996  -0.176   2.548
  260    HA   CYS  32           HA       CYS  32   0.374  -1.796   2.409
  261    HB2  CYS  32           HB2      CYS  32   0.019  -0.242   0.622
  262    HB3  CYS  32           HB1      CYS  32  -0.116   1.109   1.743
  263    H    GLY  33           HN       GLY  33  -0.965   0.220   4.792
  264    HA2  GLY  33           HA2      GLY  33  -0.151   0.414   6.978
  265    HA3  GLY  33           HA1      GLY  33   1.426  -0.113   6.416
  266    H    THR  34           HN       THR  34  -0.650   2.593   5.380
  267    HA   THR  34           HA       THR  34   1.372   4.454   6.386
  268    HB   THR  34           HB       THR  34   2.006   4.151   4.089
  269    HG1  THR  34           HG1      THR  34   2.326   6.207   4.184
  270   HG21  THR  34          HG21      THR  34  -0.057   3.309   3.135
  271   HG22  THR  34          HG22      THR  34   0.557   4.686   2.220
  272   HG23  THR  34          HG23      THR  34  -0.799   4.899   3.327
  273    H    CYS  35           HN       CYS  35  -1.907   3.861   5.316
  274    HA   CYS  35           HA       CYS  35  -3.039   6.364   5.448
  275    HB2  CYS  35           HB2      CYS  35  -4.278   4.344   4.792
  276    HB3  CYS  35           HB1      CYS  35  -4.253   3.785   6.461
  Start of MODEL    3
    1    H1   ALA   2           HT1      ALA   2 -11.307   9.841   4.592
    2    H2   ALA   2           HT2      ALA   2 -12.864   9.342   5.113
    3    H3   ALA   2           HT3      ALA   2 -12.466   9.318   3.443
    4    HA   ALA   2           HA       ALA   2 -11.002   7.750   5.438
    5    HB1  ALA   2           HB1      ALA   2 -12.524   6.089   5.443
    6    HB2  ALA   2           HB2      ALA   2 -13.010   6.384   3.773
    7    HB3  ALA   2           HB3      ALA   2 -13.648   7.396   5.069
    8    H    CYS   3           HN       CYS   3 -10.015   5.852   4.356
    9    HA   CYS   3           HA       CYS   3  -9.391   6.397   1.530
   10    HB2  CYS   3           HB2      CYS   3  -7.069   5.682   1.962
   11    HB3  CYS   3           HB1      CYS   3  -7.500   7.114   2.889
   12    H    LYS   4           HN       LYS   4  -8.477   4.483   0.391
   13    HA   LYS   4           HA       LYS   4  -9.383   1.927   1.514
   14    HB2  LYS   4           HB2      LYS   4 -10.415   3.301  -0.880
   15    HB3  LYS   4           HB1      LYS   4 -10.003   1.610  -1.127
   16    HG2  LYS   4           HG2      LYS   4 -11.406   1.190   0.995
   17    HG3  LYS   4           HG1      LYS   4 -12.053   2.804   0.692
   18    HD2  LYS   4           HD2      LYS   4 -12.620   2.047  -1.626
   19    HD3  LYS   4           HD1      LYS   4 -12.152   0.415  -1.145
   20    HE2  LYS   4           HE2      LYS   4 -14.066   1.794   0.628
   21    HE3  LYS   4           HE1      LYS   4 -14.667   1.365  -0.973
   22    HZ1  LYS   4           HZ1      LYS   4 -13.934  -0.350   1.254
   23    HZ2  LYS   4           HZ2      LYS   4 -13.473  -0.903  -0.276
   24    HZ3  LYS   4           HZ3      LYS   4 -15.100  -0.576   0.049
   25    H    ASP   5           HN       ASP   5  -8.782   0.217  -0.464
   26    HA   ASP   5           HA       ASP   5  -5.951   0.719  -1.016
   27    HB2  ASP   5           HB2      ASP   5  -5.521  -1.664  -0.652
   28    HB3  ASP   5           HB1      ASP   5  -6.228  -0.925   0.780
   29    H    TYR   6           HN       TYR   6  -5.220   0.327  -2.982
   30    HA   TYR   6           HA       TYR   6  -7.097  -0.127  -5.100
   31    HB2  TYR   6           HB2      TYR   6  -4.879   1.337  -5.000
   32    HB3  TYR   6           HB1      TYR   6  -4.161  -0.148  -5.613
   33    HD1  TYR   6           HD1      TYR   6  -6.660   2.481  -6.318
   34    HD2  TYR   6           HD2      TYR   6  -4.477  -0.824  -7.871
   35    HE1  TYR   6           HE1      TYR   6  -7.381   3.081  -8.592
   36    HE2  TYR   6           HE2      TYR   6  -5.191  -0.234 -10.149
   37    HH   TYR   6           HH       TYR   6  -7.647   2.079 -10.764
   38    H    LEU   7           HN       LEU   7  -5.295  -2.214  -3.136
   39    HA   LEU   7           HA       LEU   7  -5.862  -4.418  -4.964
   40    HB2  LEU   7           HB2      LEU   7  -3.129  -3.739  -3.935
   41    HB3  LEU   7           HB1      LEU   7  -3.553  -5.367  -4.373
   42    HG   LEU   7           HG       LEU   7  -4.075  -3.273  -6.400
   43   HD11  LEU   7          HD11      LEU   7  -1.573  -3.862  -7.083
   44   HD12  LEU   7          HD12      LEU   7  -1.401  -3.959  -5.330
   45   HD13  LEU   7          HD13      LEU   7  -1.975  -2.468  -6.079
   46   HD21  LEU   7          HD21      LEU   7  -4.547  -5.211  -7.418
   47   HD22  LEU   7          HD22      LEU   7  -3.668  -6.160  -6.218
   48   HD23  LEU   7          HD23      LEU   7  -2.800  -5.405  -7.555
   49    HA   PRO   8           HA       PRO   8  -6.803  -6.924  -1.494
   50    HB2  PRO   8           HB2      PRO   8  -4.729  -8.890  -2.278
   51    HB3  PRO   8           HB1      PRO   8  -6.469  -9.111  -2.043
   52    HG2  PRO   8           HG2      PRO   8  -5.493  -9.069  -4.463
   53    HG3  PRO   8           HG1      PRO   8  -6.990  -8.188  -4.094
   54    HD2  PRO   8           HD2      PRO   8  -4.190  -7.105  -4.351
   55    HD3  PRO   8           HD1      PRO   8  -5.678  -6.486  -5.088
   56    H    LYS   9           HN       LYS   9  -6.047  -8.036   0.336
   57    HA   LYS   9           HA       LYS   9  -4.235  -6.524   1.861
   58    HB2  LYS   9           HB2      LYS   9  -5.079  -9.367   2.429
   59    HB3  LYS   9           HB1      LYS   9  -4.528  -8.171   3.593
   60    HG2  LYS   9           HG2      LYS   9  -6.849  -7.316   2.039
   61    HG3  LYS   9           HG1      LYS   9  -7.133  -8.752   3.025
   62    HD2  LYS   9           HD2      LYS   9  -5.669  -6.614   4.397
   63    HD3  LYS   9           HD1      LYS   9  -7.309  -6.177   3.914
   64    HE2  LYS   9           HE2      LYS   9  -7.731  -8.640   4.945
   65    HE3  LYS   9           HE1      LYS   9  -6.374  -8.105   5.935
   66    HZ1  LYS   9           HZ1      LYS   9  -8.280  -7.407   7.065
   67    HZ2  LYS   9           HZ2      LYS   9  -9.040  -6.855   5.658
   68    HZ3  LYS   9           HZ3      LYS   9  -7.722  -6.008   6.294
   69    H    SER  10           HN       SER  10  -3.706  -9.131  -0.321
   70    HA   SER  10           HA       SER  10  -1.139  -9.871   0.786
   71    HB2  SER  10           HB2      SER  10  -2.885 -10.847  -1.408
   72    HB3  SER  10           HB1      SER  10  -1.154 -11.130  -1.584
   73    HG   SER  10           HG       SER  10  -1.185 -12.173   0.437
   74    H    GLU  11           HN       GLU  11  -2.337  -8.081  -2.038
   75    HA   GLU  11           HA       GLU  11   0.189  -7.690  -3.253
   76    HB2  GLU  11           HB2      GLU  11  -2.553  -6.879  -3.640
   77    HB3  GLU  11           HB1      GLU  11  -1.477  -5.518  -3.908
   78    HG2  GLU  11           HG2      GLU  11  -0.673  -8.036  -5.194
   79    HG3  GLU  11           HG1      GLU  11  -2.180  -7.328  -5.778
   80    H    CYS  12           HN       CYS  12  -1.713  -5.894  -0.945
   81    HA   CYS  12           HA       CYS  12   0.352  -3.834  -0.767
   82    HB2  CYS  12           HB2      CYS  12  -2.529  -4.009  -0.070
   83    HB3  CYS  12           HB1      CYS  12  -1.528  -2.910   0.886
   84    H    THR  13           HN       THR  13   1.948  -4.426   0.523
   85    HA   THR  13           HA       THR  13   1.253  -5.634   3.120
   86    HB   THR  13           HB       THR  13   3.669  -6.527   2.992
   87    HG1  THR  13           HG1      THR  13   4.739  -6.216   1.228
   88   HG21  THR  13          HG21      THR  13   3.082  -8.463   1.738
   89   HG22  THR  13          HG22      THR  13   1.816  -7.593   0.865
   90   HG23  THR  13          HG23      THR  13   1.632  -7.930   2.589
   91    H    GLN  14           HN       GLN  14   2.209  -4.798   4.966
   92    HA   GLN  14           HA       GLN  14   2.775  -2.110   5.110
   93    HB2  GLN  14           HB2      GLN  14   3.657  -4.393   6.872
   94    HB3  GLN  14           HB1      GLN  14   4.028  -2.718   7.261
   95    HG2  GLN  14           HG2      GLN  14   2.100  -3.174   8.477
   96    HG3  GLN  14           HG1      GLN  14   1.519  -2.298   7.061
   97   HE21  GLN  14          HE21      GLN  14   0.240  -3.342   5.566
   98   HE22  GLN  14          HE22      GLN  14  -0.411  -4.921   5.825
   99    H    PHE  15           HN       PHE  15   4.824  -4.740   4.211
  100    HA   PHE  15           HA       PHE  15   7.348  -3.547   4.428
  101    HB2  PHE  15           HB2      PHE  15   6.148  -5.875   3.123
  102    HB3  PHE  15           HB1      PHE  15   7.517  -5.226   2.239
  103    HD1  PHE  15           HD2      PHE  15   9.709  -4.959   3.455
  104    HD2  PHE  15           HD1      PHE  15   6.441  -7.167   5.051
  105    HE1  PHE  15           HE2      PHE  15  11.244  -6.105   4.992
  106    HE2  PHE  15           HE1      PHE  15   7.970  -8.319   6.597
  107    HZ   PHE  15           HZ       PHE  15  10.377  -7.790   6.569
  108    H    ARG  16           HN       ARG  16   4.910  -3.488   1.889
  109    HA   ARG  16           HA       ARG  16   6.365  -2.293  -0.153
  110    HB2  ARG  16           HB2      ARG  16   3.440  -1.904   0.500
  111    HB3  ARG  16           HB1      ARG  16   4.196  -1.569  -1.043
  112    HG2  ARG  16           HG2      ARG  16   4.137  -4.274   0.231
  113    HG3  ARG  16           HG1      ARG  16   2.947  -3.705  -0.940
  114    HD2  ARG  16           HD2      ARG  16   4.401  -4.789  -2.338
  115    HD3  ARG  16           HD1      ARG  16   5.103  -3.172  -2.356
  116    HE   ARG  16           HE       ARG  16   6.340  -4.501  -0.287
  117   HH11  ARG  16          HH11      ARG  16   6.013  -4.945  -3.733
  118   HH12  ARG  16          HH12      ARG  16   7.542  -5.740  -3.902
  119   HH21  ARG  16          HH21      ARG  16   8.352  -5.545  -0.508
  120   HH22  ARG  16          HH22      ARG  16   8.870  -6.081  -2.071
  121    H    CYS  17           HN       CYS  17   4.483  -0.713   2.431
  122    HA   CYS  17           HA       CYS  17   5.123   1.905   1.537
  123    HB2  CYS  17           HB2      CYS  17   3.944   0.783   4.040
  124    HB3  CYS  17           HB1      CYS  17   4.473   2.459   4.000
  125    H    ARG  18           HN       ARG  18   6.797  -0.417   3.412
  126    HA   ARG  18           HA       ARG  18   8.500   1.265   4.895
  127    HB2  ARG  18           HB2      ARG  18   8.176  -1.490   4.550
  128    HB3  ARG  18           HB1      ARG  18   9.829  -1.149   4.008
  129    HG2  ARG  18           HG2      ARG  18   9.433   0.262   6.429
  130    HG3  ARG  18           HG1      ARG  18   8.796  -1.366   6.672
  131    HD2  ARG  18           HD2      ARG  18  10.900  -2.318   5.895
  132    HD3  ARG  18           HD1      ARG  18  11.536  -0.701   5.600
  133    HE   ARG  18           HE       ARG  18  10.719  -0.901   8.282
  134   HH11  ARG  18          HH11      ARG  18  13.202  -2.083   6.134
  135   HH12  ARG  18          HH12      ARG  18  14.376  -2.273   7.392
  136   HH21  ARG  18          HH21      ARG  18  12.262  -1.150   9.939
  137   HH22  ARG  18          HH22      ARG  18  13.843  -1.744   9.553
  138    H    THR  19           HN       THR  19   8.941  -0.413   1.884
  139    HA   THR  19           HA       THR  19  11.285   1.245   1.316
  140    HB   THR  19           HB       THR  19  11.861  -0.985   1.735
  141    HG1  THR  19           HG1      THR  19  11.687  -0.839  -1.100
  142   HG21  THR  19          HG21      THR  19  10.901  -2.892   0.534
  143   HG22  THR  19          HG22      THR  19   9.692  -1.811  -0.163
  144   HG23  THR  19          HG23      THR  19   9.754  -2.056   1.587
  145    H    SER  20           HN       SER  20   8.281   0.020  -0.046
  146    HA   SER  20           HA       SER  20   8.884   1.277  -2.622
  147    HB2  SER  20           HB2      SER  20   7.775  -1.108  -2.170
  148    HB3  SER  20           HB1      SER  20   6.304  -0.135  -2.168
  149    HG   SER  20           HG       SER  20   6.989  -0.983  -4.261
  150    H    MET  21           HN       MET  21   8.273   3.294  -2.981
  151    HA   MET  21           HA       MET  21   6.372   4.631  -1.283
  152    HB2  MET  21           HB2      MET  21   8.333   5.386  -3.333
  153    HB3  MET  21           HB1      MET  21   6.881   6.376  -3.338
  154    HG2  MET  21           HG2      MET  21   7.342   7.314  -1.331
  155    HG3  MET  21           HG1      MET  21   8.157   5.877  -0.720
  156    HE1  MET  21           HE1      MET  21  11.644   6.014  -2.156
  157    HE2  MET  21           HE2      MET  21  10.492   5.645  -3.439
  158    HE3  MET  21           HE3      MET  21  10.251   4.985  -1.821
  159    H    LYS  22           HN       LYS  22   6.415   3.386  -4.568
  160    HA   LYS  22           HA       LYS  22   4.126   4.613  -5.574
  161    HB2  LYS  22           HB2      LYS  22   5.734   3.386  -6.952
  162    HB3  LYS  22           HB1      LYS  22   5.231   1.875  -6.209
  163    HG2  LYS  22           HG2      LYS  22   3.964   1.737  -8.063
  164    HG3  LYS  22           HG1      LYS  22   2.859   2.722  -7.104
  165    HD2  LYS  22           HD2      LYS  22   2.907   4.027  -8.958
  166    HD3  LYS  22           HD1      LYS  22   4.354   4.669  -8.176
  167    HE2  LYS  22           HE2      LYS  22   5.399   2.566  -9.517
  168    HE3  LYS  22           HE1      LYS  22   4.077   3.011 -10.595
  169    HZ1  LYS  22           HZ1      LYS  22   6.269   4.780  -9.656
  170    HZ2  LYS  22           HZ2      LYS  22   4.948   5.304 -10.573
  171    HZ3  LYS  22           HZ3      LYS  22   6.043   4.194 -11.227
  172    H    TYR  23           HN       TYR  23   4.412   1.471  -3.932
  173    HA   TYR  23           HA       TYR  23   1.731   0.703  -4.137
  174    HB2  TYR  23           HB2      TYR  23   3.937  -0.005  -2.235
  175    HB3  TYR  23           HB1      TYR  23   2.319  -0.663  -2.021
  176    HD1  TYR  23           HD1      TYR  23   4.350  -0.062  -5.089
  177    HD2  TYR  23           HD2      TYR  23   2.388  -2.884  -2.594
  178    HE1  TYR  23           HE1      TYR  23   4.876  -1.846  -6.704
  179    HE2  TYR  23           HE2      TYR  23   2.906  -4.675  -4.186
  180    HH   TYR  23           HH       TYR  23   3.398  -4.733  -6.799
  181    H    ARG  24           HN       ARG  24   3.271   2.911  -1.973
  182    HA   ARG  24           HA       ARG  24   1.291   2.831   0.077
  183    HB2  ARG  24           HB2      ARG  24   2.916   5.283  -0.250
  184    HB3  ARG  24           HB1      ARG  24   2.574   4.347   1.195
  185    HG2  ARG  24           HG2      ARG  24   4.146   2.603   0.284
  186    HG3  ARG  24           HG1      ARG  24   4.611   3.787  -0.935
  187    HD2  ARG  24           HD2      ARG  24   5.228   5.356   0.861
  188    HD3  ARG  24           HD1      ARG  24   4.844   4.114   2.052
  189    HE   ARG  24           HE       ARG  24   6.632   2.816   0.611
  190   HH11  ARG  24          HH11      ARG  24   6.696   6.132   1.727
  191   HH12  ARG  24          HH12      ARG  24   8.423   6.203   1.797
  192   HH21  ARG  24          HH21      ARG  24   8.902   2.918   0.716
  193   HH22  ARG  24          HH22      ARG  24   9.675   4.381   1.226
  194    H    LEU  25           HN       LEU  25   2.059   5.436  -2.222
  195    HA   LEU  25           HA       LEU  25  -0.552   6.615  -1.708
  196    HB2  LEU  25           HB2      LEU  25   1.592   7.683  -3.520
  197    HB3  LEU  25           HB1      LEU  25   0.294   8.569  -2.739
  198    HG   LEU  25           HG       LEU  25   2.057   9.200  -1.419
  199   HD11  LEU  25          HD11      LEU  25   1.842   6.756   0.200
  200   HD12  LEU  25          HD12      LEU  25   0.307   7.525  -0.202
  201   HD13  LEU  25          HD13      LEU  25   1.558   8.441   0.634
  202   HD21  LEU  25          HD21      LEU  25   4.043   8.311  -1.830
  203   HD22  LEU  25          HD22      LEU  25   3.305   6.873  -2.532
  204   HD23  LEU  25          HD23      LEU  25   3.612   6.949  -0.797
  205    H    ASN  26           HN       ASN  26   1.281   5.291  -4.418
  206    HA   ASN  26           HA       ASN  26  -0.666   5.942  -6.376
  207    HB2  ASN  26           HB2      ASN  26   1.899   5.288  -6.516
  208    HB3  ASN  26           HB1      ASN  26   1.219   3.690  -6.820
  209   HD21  ASN  26          HD21      ASN  26   0.591   3.218  -8.814
  210   HD22  ASN  26          HD22      ASN  26   0.406   4.353 -10.104
  211    H    LEU  27           HN       LEU  27  -0.073   3.010  -4.462
  212    HA   LEU  27           HA       LEU  27  -2.305   1.702  -5.826
  213    HB2  LEU  27           HB2      LEU  27  -0.146   0.732  -3.990
  214    HB3  LEU  27           HB1      LEU  27  -1.603  -0.217  -4.207
  215    HG   LEU  27           HG       LEU  27  -1.156  -0.275  -6.652
  216   HD11  LEU  27          HD11      LEU  27   0.206   1.360  -7.364
  217   HD12  LEU  27          HD12      LEU  27   1.483   0.215  -6.953
  218   HD13  LEU  27          HD13      LEU  27   1.038   1.487  -5.815
  219   HD21  LEU  27          HD21      LEU  27   1.231  -1.329  -5.181
  220   HD22  LEU  27          HD22      LEU  27   0.337  -2.054  -6.517
  221   HD23  LEU  27          HD23      LEU  27  -0.378  -1.996  -4.906
  222    H    CYS  28           HN       CYS  28  -1.894   0.634  -2.596
  223    HA   CYS  28           HA       CYS  28  -4.481   1.799  -1.886
  224    HB2  CYS  28           HB2      CYS  28  -4.397   0.195  -0.039
  225    HB3  CYS  28           HB1      CYS  28  -4.096  -0.615  -1.580
  226    H    LYS  29           HN       LYS  29  -4.784   2.995  -0.020
  227    HA   LYS  29           HA       LYS  29  -2.506   4.535   0.841
  228    HB2  LYS  29           HB2      LYS  29  -5.366   4.727   1.782
  229    HB3  LYS  29           HB1      LYS  29  -4.100   5.930   1.991
  230    HG2  LYS  29           HG2      LYS  29  -4.182   5.515  -0.746
  231    HG3  LYS  29           HG1      LYS  29  -5.876   5.478  -0.249
  232    HD2  LYS  29           HD2      LYS  29  -5.768   7.714  -0.368
  233    HD3  LYS  29           HD1      LYS  29  -4.903   7.612   1.166
  234    HE2  LYS  29           HE2      LYS  29  -2.839   7.913   0.174
  235    HE3  LYS  29           HE1      LYS  29  -3.398   7.345  -1.399
  236    HZ1  LYS  29           HZ1      LYS  29  -4.584   9.797  -0.330
  237    HZ2  LYS  29           HZ2      LYS  29  -4.250   9.369  -1.932
  238    HZ3  LYS  29           HZ3      LYS  29  -2.999   9.881  -0.916
  239    H    LYS  30           HN       LYS  30  -5.039   2.691   2.511
  240    HA   LYS  30           HA       LYS  30  -3.517   2.652   4.944
  241    HB2  LYS  30           HB2      LYS  30  -5.882   2.899   5.118
  242    HB3  LYS  30           HB1      LYS  30  -6.159   1.436   4.180
  243    HG2  LYS  30           HG2      LYS  30  -6.543   0.767   6.367
  244    HG3  LYS  30           HG1      LYS  30  -4.889   0.234   6.050
  245    HD2  LYS  30           HD2      LYS  30  -3.963   1.869   7.382
  246    HD3  LYS  30           HD1      LYS  30  -5.368   2.927   7.239
  247    HE2  LYS  30           HE2      LYS  30  -5.470   2.121   9.434
  248    HE3  LYS  30           HE1      LYS  30  -6.629   1.130   8.548
  249    HZ1  LYS  30           HZ1      LYS  30  -4.029   0.389   9.676
  250    HZ2  LYS  30           HZ2      LYS  30  -4.544  -0.406   8.274
  251    HZ3  LYS  30           HZ3      LYS  30  -5.489  -0.468   9.676
  252    H    THR  31           HN       THR  31  -4.770   0.026   2.842
  253    HA   THR  31           HA       THR  31  -3.773  -2.089   4.249
  254    HB   THR  31           HB       THR  31  -3.862  -1.903   1.242
  255    HG1  THR  31           HG1      THR  31  -5.810  -2.612   3.172
  256   HG21  THR  31          HG21      THR  31  -4.181  -4.345   2.941
  257   HG22  THR  31          HG22      THR  31  -2.635  -3.863   2.245
  258   HG23  THR  31          HG23      THR  31  -4.001  -4.242   1.191
  259    H    CYS  32           HN       CYS  32  -1.950   0.073   2.224
  260    HA   CYS  32           HA       CYS  32   0.383  -1.623   2.140
  261    HB2  CYS  32           HB2      CYS  32   0.201  -0.079   0.342
  262    HB3  CYS  32           HB1      CYS  32  -0.032   1.284   1.431
  263    H    GLY  33           HN       GLY  33  -1.005   0.388   4.447
  264    HA2  GLY  33           HA2      GLY  33  -0.315   0.564   6.677
  265    HA3  GLY  33           HA1      GLY  33   1.282   0.011   6.204
  266    H    THR  34           HN       THR  34  -0.643   2.773   5.013
  267    HA   THR  34           HA       THR  34   1.367   4.564   6.175
  268    HB   THR  34           HB       THR  34   2.120   4.368   3.931
  269    HG1  THR  34           HG1      THR  34   0.550   6.716   4.027
  270   HG21  THR  34          HG21      THR  34  -0.629   5.060   2.954
  271   HG22  THR  34          HG22      THR  34   0.081   3.444   2.913
  272   HG23  THR  34          HG23      THR  34   0.804   4.750   1.975
  273    H    CYS  35           HN       CYS  35  -1.877   4.132   4.893
  274    HA   CYS  35           HA       CYS  35  -2.746   6.793   5.456
  275    HB2  CYS  35           HB2      CYS  35  -3.864   5.266   3.822
  276    HB3  CYS  35           HB1      CYS  35  -4.457   4.317   5.179
  Start of MODEL    4
    1    H1   ALA   2           HT1      ALA   2 -12.764   9.095   3.681
    2    H2   ALA   2           HT2      ALA   2 -13.709   8.257   4.842
    3    H3   ALA   2           HT3      ALA   2 -13.509   7.608   3.266
    4    HA   ALA   2           HA       ALA   2 -11.298   8.078   5.141
    5    HB1  ALA   2           HB1      ALA   2 -13.016   6.457   5.997
    6    HB2  ALA   2           HB2      ALA   2 -11.396   5.794   5.781
    7    HB3  ALA   2           HB3      ALA   2 -12.655   5.448   4.595
    8    H    CYS   3           HN       CYS   3  -9.884   5.842   4.470
    9    HA   CYS   3           HA       CYS   3  -9.329   6.264   1.606
   10    HB2  CYS   3           HB2      CYS   3  -6.982   5.742   2.099
   11    HB3  CYS   3           HB1      CYS   3  -7.539   7.120   3.039
   12    H    LYS   4           HN       LYS   4  -8.844   4.489   0.316
   13    HA   LYS   4           HA       LYS   4  -9.408   1.859   1.525
   14    HB2  LYS   4           HB2      LYS   4 -10.113   2.808  -1.258
   15    HB3  LYS   4           HB1      LYS   4 -10.412   1.196  -0.623
   16    HG2  LYS   4           HG2      LYS   4 -11.520   3.477   0.903
   17    HG3  LYS   4           HG1      LYS   4 -12.267   3.095  -0.650
   18    HD2  LYS   4           HD2      LYS   4 -13.036   1.062   0.066
   19    HD3  LYS   4           HD1      LYS   4 -11.731   0.859   1.236
   20    HE2  LYS   4           HE2      LYS   4 -13.820   1.202   2.400
   21    HE3  LYS   4           HE1      LYS   4 -12.766   2.593   2.650
   22    HZ1  LYS   4           HZ1      LYS   4 -14.111   3.944   1.454
   23    HZ2  LYS   4           HZ2      LYS   4 -15.290   2.845   1.966
   24    HZ3  LYS   4           HZ3      LYS   4 -14.635   2.719   0.412
   25    H    ASP   5           HN       ASP   5  -8.768   0.163  -0.434
   26    HA   ASP   5           HA       ASP   5  -5.964   0.763  -1.039
   27    HB2  ASP   5           HB2      ASP   5  -5.453  -1.609  -0.663
   28    HB3  ASP   5           HB1      ASP   5  -6.137  -0.861   0.775
   29    H    TYR   6           HN       TYR   6  -5.297   0.463  -3.034
   30    HA   TYR   6           HA       TYR   6  -7.154  -0.064  -5.120
   31    HB2  TYR   6           HB2      TYR   6  -4.533   1.016  -4.886
   32    HB3  TYR   6           HB1      TYR   6  -4.473  -0.268  -6.086
   33    HD1  TYR   6           HD2      TYR   6  -7.299   0.063  -7.156
   34    HD2  TYR   6           HD1      TYR   6  -4.239   2.887  -6.286
   35    HE1  TYR   6           HE2      TYR   6  -8.244   1.593  -8.834
   36    HE2  TYR   6           HE1      TYR   6  -5.175   4.426  -7.960
   37    HH   TYR   6           HH       TYR   6  -6.578   4.382  -9.922
   38    H    LEU   7           HN       LEU   7  -5.267  -2.144  -3.174
   39    HA   LEU   7           HA       LEU   7  -5.937  -4.368  -4.958
   40    HB2  LEU   7           HB2      LEU   7  -3.185  -3.699  -3.982
   41    HB3  LEU   7           HB1      LEU   7  -3.627  -5.340  -4.346
   42    HG   LEU   7           HG       LEU   7  -4.214  -3.379  -6.469
   43   HD11  LEU   7          HD11      LEU   7  -1.525  -3.757  -5.335
   44   HD12  LEU   7          HD12      LEU   7  -2.175  -2.435  -6.305
   45   HD13  LEU   7          HD13      LEU   7  -1.646  -3.925  -7.086
   46   HD21  LEU   7          HD21      LEU   7  -2.737  -5.572  -7.388
   47   HD22  LEU   7          HD22      LEU   7  -4.480  -5.330  -7.501
   48   HD23  LEU   7          HD23      LEU   7  -3.798  -6.207  -6.130
   49    HA   PRO   8           HA       PRO   8  -6.878  -6.838  -1.464
   50    HB2  PRO   8           HB2      PRO   8  -4.821  -8.827  -2.234
   51    HB3  PRO   8           HB1      PRO   8  -6.562  -9.032  -1.992
   52    HG2  PRO   8           HG2      PRO   8  -5.593  -9.022  -4.415
   53    HG3  PRO   8           HG1      PRO   8  -7.082  -8.125  -4.051
   54    HD2  PRO   8           HD2      PRO   8  -4.273  -7.068  -4.324
   55    HD3  PRO   8           HD1      PRO   8  -5.758  -6.444  -5.065
   56    H    LYS   9           HN       LYS   9  -6.123  -7.939   0.374
   57    HA   LYS   9           HA       LYS   9  -4.296  -6.423   1.878
   58    HB2  LYS   9           HB2      LYS   9  -5.132  -9.255   2.500
   59    HB3  LYS   9           HB1      LYS   9  -4.625  -8.014   3.637
   60    HG2  LYS   9           HG2      LYS   9  -6.913  -7.197   2.045
   61    HG3  LYS   9           HG1      LYS   9  -7.216  -8.664   2.978
   62    HD2  LYS   9           HD2      LYS   9  -6.760  -7.588   5.018
   63    HD3  LYS   9           HD1      LYS   9  -5.982  -6.221   4.218
   64    HE2  LYS   9           HE2      LYS   9  -7.937  -5.178   3.828
   65    HE3  LYS   9           HE1      LYS   9  -8.774  -6.679   3.436
   66    HZ1  LYS   9           HZ1      LYS   9  -9.356  -5.339   5.585
   67    HZ2  LYS   9           HZ2      LYS   9  -8.035  -6.177   6.228
   68    HZ3  LYS   9           HZ3      LYS   9  -9.353  -7.031   5.600
   69    H    SER  10           HN       SER  10  -3.802  -9.070  -0.264
   70    HA   SER  10           HA       SER  10  -1.237  -9.816   0.843
   71    HB2  SER  10           HB2      SER  10  -3.075 -11.215  -0.563
   72    HB3  SER  10           HB1      SER  10  -1.972 -10.761  -1.861
   73    HG   SER  10           HG       SER  10  -1.297 -12.115   0.541
   74    H    GLU  11           HN       GLU  11  -2.432  -8.012  -1.969
   75    HA   GLU  11           HA       GLU  11   0.098  -7.700  -3.215
   76    HB2  GLU  11           HB2      GLU  11  -2.632  -6.849  -3.608
   77    HB3  GLU  11           HB1      GLU  11  -1.534  -5.511  -3.899
   78    HG2  GLU  11           HG2      GLU  11  -0.772  -8.060  -5.146
   79    HG3  GLU  11           HG1      GLU  11  -2.271  -7.341  -5.738
   80    H    CYS  12           HN       CYS  12  -1.764  -5.840  -0.926
   81    HA   CYS  12           HA       CYS  12   0.341  -3.817  -0.779
   82    HB2  CYS  12           HB2      CYS  12  -2.544  -3.924  -0.094
   83    HB3  CYS  12           HB1      CYS  12  -1.526  -2.845   0.868
   84    H    THR  13           HN       THR  13   1.926  -4.433   0.520
   85    HA   THR  13           HA       THR  13   1.202  -5.603   3.126
   86    HB   THR  13           HB       THR  13   3.613  -6.527   3.006
   87    HG1  THR  13           HG1      THR  13   3.210  -6.048   0.247
   88   HG21  THR  13          HG21      THR  13   1.544  -7.901   2.634
   89   HG22  THR  13          HG22      THR  13   2.989  -8.477   1.803
   90   HG23  THR  13          HG23      THR  13   1.742  -7.606   0.904
   91    H    GLN  14           HN       GLN  14   2.171  -4.777   4.971
   92    HA   GLN  14           HA       GLN  14   2.775  -2.098   5.112
   93    HB2  GLN  14           HB2      GLN  14   3.633  -4.390   6.874
   94    HB3  GLN  14           HB1      GLN  14   4.025  -2.720   7.260
   95    HG2  GLN  14           HG2      GLN  14   2.096  -3.149   8.482
   96    HG3  GLN  14           HG1      GLN  14   1.520  -2.270   7.067
   97   HE21  GLN  14          HE21      GLN  14   0.237  -3.309   5.568
   98   HE22  GLN  14          HE22      GLN  14  -0.436  -4.877   5.837
   99    H    PHE  15           HN       PHE  15   4.792  -4.756   4.218
  100    HA   PHE  15           HA       PHE  15   7.328  -3.588   4.429
  101    HB2  PHE  15           HB2      PHE  15   6.107  -5.909   3.134
  102    HB3  PHE  15           HB1      PHE  15   7.481  -5.276   2.246
  103    HD1  PHE  15           HD2      PHE  15   9.672  -5.010   3.467
  104    HD2  PHE  15           HD1      PHE  15   6.395  -7.207   5.058
  105    HE1  PHE  15           HE2      PHE  15  11.201  -6.158   5.009
  106    HE2  PHE  15           HE1      PHE  15   7.918  -8.363   6.608
  107    HZ   PHE  15           HZ       PHE  15  10.326  -7.840   6.585
  108    H    ARG  16           HN       ARG  16   4.887  -3.503   1.896
  109    HA   ARG  16           HA       ARG  16   6.356  -2.331  -0.150
  110    HB2  ARG  16           HB2      ARG  16   3.435  -1.919   0.504
  111    HB3  ARG  16           HB1      ARG  16   4.193  -1.584  -1.038
  112    HG2  ARG  16           HG2      ARG  16   4.124  -4.292   0.225
  113    HG3  ARG  16           HG1      ARG  16   2.928  -3.712  -0.935
  114    HD2  ARG  16           HD2      ARG  16   4.373  -4.806  -2.340
  115    HD3  ARG  16           HD1      ARG  16   5.066  -3.186  -2.371
  116    HE   ARG  16           HE       ARG  16   6.384  -4.399  -0.338
  117   HH11  ARG  16          HH11      ARG  16   5.826  -5.241  -3.679
  118   HH12  ARG  16          HH12      ARG  16   7.312  -6.116  -3.836
  119   HH21  ARG  16          HH21      ARG  16   8.338  -5.551  -0.543
  120   HH22  ARG  16          HH22      ARG  16   8.738  -6.293  -2.056
  121    H    CYS  17           HN       CYS  17   4.496  -0.732   2.438
  122    HA   CYS  17           HA       CYS  17   5.157   1.881   1.541
  123    HB2  CYS  17           HB2      CYS  17   3.967   0.767   4.041
  124    HB3  CYS  17           HB1      CYS  17   4.521   2.435   4.013
  125    H    ARG  18           HN       ARG  18   6.816  -0.457   3.407
  126    HA   ARG  18           HA       ARG  18   8.538   1.211   4.885
  127    HB2  ARG  18           HB2      ARG  18   8.188  -1.543   4.541
  128    HB3  ARG  18           HB1      ARG  18   9.844  -1.214   4.001
  129    HG2  ARG  18           HG2      ARG  18   9.882   0.157   6.285
  130    HG3  ARG  18           HG1      ARG  18   8.632  -1.015   6.710
  131    HD2  ARG  18           HD2      ARG  18  10.112  -2.847   6.223
  132    HD3  ARG  18           HD1      ARG  18  11.340  -1.744   5.604
  133    HE   ARG  18           HE       ARG  18  10.851  -0.967   8.207
  134   HH11  ARG  18          HH11      ARG  18  11.997  -3.834   6.580
  135   HH12  ARG  18          HH12      ARG  18  12.983  -4.345   7.909
  136   HH21  ARG  18          HH21      ARG  18  12.147  -1.638   9.956
  137   HH22  ARG  18          HH22      ARG  18  13.068  -3.099   9.825
  138    H    THR  19           HN       THR  19   8.953  -0.478   1.876
  139    HA   THR  19           HA       THR  19  11.315   1.153   1.299
  140    HB   THR  19           HB       THR  19  11.866  -1.084   1.717
  141    HG1  THR  19           HG1      THR  19  13.001  -0.481  -0.071
  142   HG21  THR  19          HG21      THR  19   9.667  -1.878  -0.160
  143   HG22  THR  19          HG22      THR  19   9.753  -2.135   1.587
  144   HG23  THR  19          HG23      THR  19  10.875  -2.978   0.511
  145    H    SER  20           HN       SER  20   8.293  -0.037  -0.054
  146    HA   SER  20           HA       SER  20   8.906   1.210  -2.632
  147    HB2  SER  20           HB2      SER  20   7.068  -0.913  -1.716
  148    HB3  SER  20           HB1      SER  20   6.439   0.137  -2.985
  149    HG   SER  20           HG       SER  20   7.600  -1.012  -4.291
  150    H    MET  21           HN       MET  21   8.313   3.232  -2.996
  151    HA   MET  21           HA       MET  21   6.433   4.592  -1.293
  152    HB2  MET  21           HB2      MET  21   8.374   5.327  -3.381
  153    HB3  MET  21           HB1      MET  21   6.942   6.344  -3.325
  154    HG2  MET  21           HG2      MET  21   7.488   7.249  -1.328
  155    HG3  MET  21           HG1      MET  21   8.273   5.782  -0.752
  156    HE1  MET  21           HE1      MET  21  10.100   4.805  -2.159
  157    HE2  MET  21           HE2      MET  21  11.557   5.628  -1.602
  158    HE3  MET  21           HE3      MET  21  11.105   5.690  -3.306
  159    H    LYS  22           HN       LYS  22   6.451   3.325  -4.566
  160    HA   LYS  22           HA       LYS  22   4.175   4.570  -5.580
  161    HB2  LYS  22           HB2      LYS  22   5.730   3.339  -6.981
  162    HB3  LYS  22           HB1      LYS  22   5.304   1.834  -6.181
  163    HG2  LYS  22           HG2      LYS  22   3.914   1.547  -7.900
  164    HG3  LYS  22           HG1      LYS  22   2.874   2.695  -7.058
  165    HD2  LYS  22           HD2      LYS  22   3.286   4.355  -8.537
  166    HD3  LYS  22           HD1      LYS  22   4.969   3.874  -8.765
  167    HE2  LYS  22           HE2      LYS  22   4.098   3.344 -10.819
  168    HE3  LYS  22           HE1      LYS  22   3.888   1.812  -9.972
  169    HZ1  LYS  22           HZ1      LYS  22   1.791   2.012 -10.698
  170    HZ2  LYS  22           HZ2      LYS  22   1.897   3.684 -10.927
  171    HZ3  LYS  22           HZ3      LYS  22   1.598   3.060  -9.383
  172    H    TYR  23           HN       TYR  23   4.431   1.444  -3.907
  173    HA   TYR  23           HA       TYR  23   1.736   0.714  -4.097
  174    HB2  TYR  23           HB2      TYR  23   3.946  -0.028  -2.213
  175    HB3  TYR  23           HB1      TYR  23   2.320  -0.664  -1.989
  176    HD1  TYR  23           HD1      TYR  23   4.350  -0.085  -5.063
  177    HD2  TYR  23           HD2      TYR  23   2.341  -2.882  -2.577
  178    HE1  TYR  23           HE1      TYR  23   4.840  -1.871  -6.687
  179    HE2  TYR  23           HE2      TYR  23   2.823  -4.675  -4.178
  180    HH   TYR  23           HH       TYR  23   4.366  -5.189  -5.966
  181    H    ARG  24           HN       ARG  24   3.301   2.945  -1.987
  182    HA   ARG  24           HA       ARG  24   1.328   2.872   0.085
  183    HB2  ARG  24           HB2      ARG  24   2.994   5.297  -0.222
  184    HB3  ARG  24           HB1      ARG  24   2.646   4.349   1.212
  185    HG2  ARG  24           HG2      ARG  24   4.194   2.597   0.280
  186    HG3  ARG  24           HG1      ARG  24   4.665   3.784  -0.934
  187    HD2  ARG  24           HD2      ARG  24   5.313   5.333   0.867
  188    HD3  ARG  24           HD1      ARG  24   4.915   4.092   2.054
  189    HE   ARG  24           HE       ARG  24   6.680   2.772   0.608
  190   HH11  ARG  24          HH11      ARG  24   6.798   6.092   1.713
  191   HH12  ARG  24          HH12      ARG  24   8.526   6.136   1.779
  192   HH21  ARG  24          HH21      ARG  24   8.953   2.842   0.704
  193   HH22  ARG  24          HH22      ARG  24   9.749   4.295   1.207
  194    H    LEU  25           HN       LEU  25   2.159   5.472  -2.196
  195    HA   LEU  25           HA       LEU  25  -0.430   6.701  -1.692
  196    HB2  LEU  25           HB2      LEU  25   1.754   7.733  -3.477
  197    HB3  LEU  25           HB1      LEU  25   0.466   8.644  -2.707
  198    HG   LEU  25           HG       LEU  25   2.226   9.232  -1.364
  199   HD11  LEU  25          HD11      LEU  25   1.689   8.474   0.679
  200   HD12  LEU  25          HD12      LEU  25   1.944   6.786   0.241
  201   HD13  LEU  25          HD13      LEU  25   0.429   7.587  -0.176
  202   HD21  LEU  25          HD21      LEU  25   3.730   6.950  -0.735
  203   HD22  LEU  25          HD22      LEU  25   4.198   8.304  -1.761
  204   HD23  LEU  25          HD23      LEU  25   3.438   6.883  -2.473
  205    H    ASN  26           HN       ASN  26   1.393   5.349  -4.390
  206    HA   ASN  26           HA       ASN  26  -0.511   6.061  -6.366
  207    HB2  ASN  26           HB2      ASN  26   2.038   5.328  -6.471
  208    HB3  ASN  26           HB1      ASN  26   1.308   3.758  -6.808
  209   HD21  ASN  26          HD21      ASN  26   2.487   6.482  -8.188
  210   HD22  ASN  26          HD22      ASN  26   1.668   6.421  -9.709
  211    H    LEU  27           HN       LEU  27  -0.024   3.105  -4.458
  212    HA   LEU  27           HA       LEU  27  -2.307   1.897  -5.839
  213    HB2  LEU  27           HB2      LEU  27  -0.113   0.806  -4.131
  214    HB3  LEU  27           HB1      LEU  27  -1.617  -0.083  -4.255
  215    HG   LEU  27           HG       LEU  27  -1.332  -0.093  -6.741
  216   HD11  LEU  27          HD11      LEU  27   1.204   0.215  -7.330
  217   HD12  LEU  27          HD12      LEU  27   1.161   1.326  -5.961
  218   HD13  LEU  27          HD13      LEU  27   0.095   1.586  -7.341
  219   HD21  LEU  27          HD21      LEU  27   1.051  -1.363  -5.458
  220   HD22  LEU  27          HD22      LEU  27  -0.012  -1.993  -6.716
  221   HD23  LEU  27          HD23      LEU  27  -0.578  -1.898  -5.049
  222    H    CYS  28           HN       CYS  28  -1.933   0.655  -2.679
  223    HA   CYS  28           HA       CYS  28  -4.463   1.867  -1.901
  224    HB2  CYS  28           HB2      CYS  28  -4.364   0.261  -0.065
  225    HB3  CYS  28           HB1      CYS  28  -4.063  -0.548  -1.607
  226    H    LYS  29           HN       LYS  29  -4.747   3.059  -0.039
  227    HA   LYS  29           HA       LYS  29  -2.462   4.601   0.802
  228    HB2  LYS  29           HB2      LYS  29  -5.365   4.773   1.614
  229    HB3  LYS  29           HB1      LYS  29  -4.113   5.922   2.071
  230    HG2  LYS  29           HG2      LYS  29  -4.083   5.605  -0.764
  231    HG3  LYS  29           HG1      LYS  29  -5.736   5.930  -0.235
  232    HD2  LYS  29           HD2      LYS  29  -5.248   8.037   0.427
  233    HD3  LYS  29           HD1      LYS  29  -3.642   7.593   1.009
  234    HE2  LYS  29           HE2      LYS  29  -2.920   7.425  -1.382
  235    HE3  LYS  29           HE1      LYS  29  -4.486   8.091  -1.841
  236    HZ1  LYS  29           HZ1      LYS  29  -2.192   9.406  -0.628
  237    HZ2  LYS  29           HZ2      LYS  29  -3.710   9.899  -0.070
  238    HZ3  LYS  29           HZ3      LYS  29  -3.338  10.011  -1.716
  239    H    LYS  30           HN       LYS  30  -4.988   2.762   2.488
  240    HA   LYS  30           HA       LYS  30  -3.453   2.724   4.915
  241    HB2  LYS  30           HB2      LYS  30  -5.818   2.980   5.099
  242    HB3  LYS  30           HB1      LYS  30  -6.104   1.516   4.166
  243    HG2  LYS  30           HG2      LYS  30  -6.479   0.836   6.345
  244    HG3  LYS  30           HG1      LYS  30  -4.815   0.327   6.046
  245    HD2  LYS  30           HD2      LYS  30  -3.944   1.843   7.483
  246    HD3  LYS  30           HD1      LYS  30  -5.191   3.044   7.141
  247    HE2  LYS  30           HE2      LYS  30  -6.733   1.298   8.371
  248    HE3  LYS  30           HE1      LYS  30  -5.204   0.784   9.083
  249    HZ1  LYS  30           HZ1      LYS  30  -6.139   2.395  10.515
  250    HZ2  LYS  30           HZ2      LYS  30  -6.457   3.465   9.245
  251    HZ3  LYS  30           HZ3      LYS  30  -4.861   3.163   9.715
  252    H    THR  31           HN       THR  31  -4.736   0.097   2.835
  253    HA   THR  31           HA       THR  31  -3.742  -2.019   4.237
  254    HB   THR  31           HB       THR  31  -3.842  -1.837   1.230
  255    HG1  THR  31           HG1      THR  31  -5.789  -2.631   3.134
  256   HG21  THR  31          HG21      THR  31  -2.623  -3.805   2.229
  257   HG22  THR  31          HG22      THR  31  -3.996  -4.175   1.182
  258   HG23  THR  31          HG23      THR  31  -4.168  -4.276   2.933
  259    H    CYS  32           HN       CYS  32  -1.910   0.124   2.198
  260    HA   CYS  32           HA       CYS  32   0.407  -1.588   2.099
  261    HB2  CYS  32           HB2      CYS  32   0.243  -0.030   0.317
  262    HB3  CYS  32           HB1      CYS  32   0.010   1.325   1.414
  263    H    GLY  33           HN       GLY  33  -0.950   0.420   4.431
  264    HA2  GLY  33           HA2      GLY  33  -0.247   0.573   6.658
  265    HA3  GLY  33           HA1      GLY  33   1.340   0.000   6.174
  266    H    THR  34           HN       THR  34  -0.592   2.802   5.082
  267    HA   THR  34           HA       THR  34   1.458   4.560   6.214
  268    HB   THR  34           HB       THR  34   2.209   4.380   3.969
  269    HG1  THR  34           HG1      THR  34   2.301   6.452   3.606
  270   HG21  THR  34          HG21      THR  34  -0.535   5.083   2.987
  271   HG22  THR  34          HG22      THR  34   0.155   3.458   2.961
  272   HG23  THR  34          HG23      THR  34   0.896   4.748   2.015
  273    H    CYS  35           HN       CYS  35  -1.787   4.194   4.893
  274    HA   CYS  35           HA       CYS  35  -2.649   6.840   5.440
  275    HB2  CYS  35           HB2      CYS  35  -3.814   5.257   3.897
  276    HB3  CYS  35           HB1      CYS  35  -4.361   4.352   5.302
  Start of MODEL    5
    1    H1   ALA   2           HT1      ALA   2 -11.800   7.650   1.276
    2    H2   ALA   2           HT2      ALA   2 -11.046   7.591  -0.265
    3    H3   ALA   2           HT3      ALA   2 -12.027   8.933   0.163
    4    HA   ALA   2           HA       ALA   2  -9.764   9.532   0.293
    5    HB1  ALA   2           HB1      ALA   2 -11.453   9.367   2.718
    6    HB2  ALA   2           HB2      ALA   2 -10.811  10.776   1.873
    7    HB3  ALA   2           HB3      ALA   2  -9.768   9.838   2.942
    8    H    CYS   3           HN       CYS   3 -10.475   6.863   2.544
    9    HA   CYS   3           HA       CYS   3  -7.663   6.029   2.280
   10    HB2  CYS   3           HB2      CYS   3  -8.055   7.017   4.502
   11    HB3  CYS   3           HB1      CYS   3  -9.360   5.869   4.780
   12    H    LYS   4           HN       LYS   4  -7.835   4.340   0.925
   13    HA   LYS   4           HA       LYS   4  -9.288   2.003   1.866
   14    HB2  LYS   4           HB2      LYS   4 -10.047   3.576  -0.517
   15    HB3  LYS   4           HB1      LYS   4  -9.937   1.839  -0.768
   16    HG2  LYS   4           HG2      LYS   4 -11.352   2.095   1.602
   17    HG3  LYS   4           HG1      LYS   4 -11.971   3.391   0.577
   18    HD2  LYS   4           HD2      LYS   4 -11.904   1.348  -1.193
   19    HD3  LYS   4           HD1      LYS   4 -12.224   0.468   0.303
   20    HE2  LYS   4           HE2      LYS   4 -14.308   1.290   0.485
   21    HE3  LYS   4           HE1      LYS   4 -13.825   2.900  -0.048
   22    HZ1  LYS   4           HZ1      LYS   4 -14.330   2.441  -2.175
   23    HZ2  LYS   4           HZ2      LYS   4 -15.328   1.254  -1.500
   24    HZ3  LYS   4           HZ3      LYS   4 -13.798   0.837  -2.089
   25    H    ASP   5           HN       ASP   5  -8.928   0.249  -0.095
   26    HA   ASP   5           HA       ASP   5  -6.049   0.336  -0.627
   27    HB2  ASP   5           HB2      ASP   5  -5.985  -2.088  -0.334
   28    HB3  ASP   5           HB1      ASP   5  -6.611  -1.297   1.106
   29    H    TYR   6           HN       TYR   6  -5.483   0.291  -2.658
   30    HA   TYR   6           HA       TYR   6  -7.404  -0.125  -4.742
   31    HB2  TYR   6           HB2      TYR   6  -4.742   0.971  -4.496
   32    HB3  TYR   6           HB1      TYR   6  -4.842  -0.090  -5.894
   33    HD1  TYR   6           HD2      TYR   6  -7.111   2.431  -4.307
   34    HD2  TYR   6           HD1      TYR   6  -5.203   1.059  -7.853
   35    HE1  TYR   6           HE2      TYR   6  -8.198   4.231  -5.581
   36    HE2  TYR   6           HE1      TYR   6  -6.283   2.857  -9.137
   37    HH   TYR   6           HH       TYR   6  -7.358   5.443  -8.136
   38    H    LEU   7           HN       LEU   7  -5.562  -2.264  -2.911
   39    HA   LEU   7           HA       LEU   7  -6.091  -4.395  -4.828
   40    HB2  LEU   7           HB2      LEU   7  -3.346  -3.668  -3.870
   41    HB3  LEU   7           HB1      LEU   7  -3.732  -5.302  -4.316
   42    HG   LEU   7           HG       LEU   7  -4.362  -3.179  -6.291
   43   HD11  LEU   7          HD11      LEU   7  -2.265  -2.370  -6.113
   44   HD12  LEU   7          HD12      LEU   7  -1.855  -3.814  -7.038
   45   HD13  LEU   7          HD13      LEU   7  -1.666  -3.808  -5.284
   46   HD21  LEU   7          HD21      LEU   7  -3.131  -5.271  -7.545
   47   HD22  LEU   7          HD22      LEU   7  -4.872  -5.110  -7.312
   48   HD23  LEU   7          HD23      LEU   7  -3.916  -6.070  -6.181
   49    HA   PRO   8           HA       PRO   8  -6.850  -7.062  -1.429
   50    HB2  PRO   8           HB2      PRO   8  -4.739  -8.929  -2.344
   51    HB3  PRO   8           HB1      PRO   8  -6.463  -9.216  -2.068
   52    HG2  PRO   8           HG2      PRO   8  -5.556  -9.057  -4.511
   53    HG3  PRO   8           HG1      PRO   8  -7.075  -8.250  -4.070
   54    HD2  PRO   8           HD2      PRO   8  -4.329  -7.048  -4.378
   55    HD3  PRO   8           HD1      PRO   8  -5.867  -6.461  -5.035
   56    H    LYS   9           HN       LYS   9  -5.994  -8.210   0.337
   57    HA   LYS   9           HA       LYS   9  -4.162  -6.686   1.837
   58    HB2  LYS   9           HB2      LYS   9  -4.946  -9.554   2.367
   59    HB3  LYS   9           HB1      LYS   9  -4.360  -8.382   3.539
   60    HG2  LYS   9           HG2      LYS   9  -6.392  -7.036   3.165
   61    HG3  LYS   9           HG1      LYS   9  -6.983  -8.282   2.064
   62    HD2  LYS   9           HD2      LYS   9  -6.323  -8.691   4.981
   63    HD3  LYS   9           HD1      LYS   9  -7.947  -8.504   4.315
   64    HE2  LYS   9           HE2      LYS   9  -7.643 -10.523   2.982
   65    HE3  LYS   9           HE1      LYS   9  -6.003 -10.700   3.605
   66    HZ1  LYS   9           HZ1      LYS   9  -7.036 -12.035   5.072
   67    HZ2  LYS   9           HZ2      LYS   9  -8.545 -11.295   4.878
   68    HZ3  LYS   9           HZ3      LYS   9  -7.378 -10.584   5.875
   69    H    SER  10           HN       SER  10  -3.673  -9.225  -0.428
   70    HA   SER  10           HA       SER  10  -1.059  -9.959   0.565
   71    HB2  SER  10           HB2      SER  10  -2.919 -11.321  -0.866
   72    HB3  SER  10           HB1      SER  10  -1.835 -10.802  -2.156
   73    HG   SER  10           HG       SER  10  -0.231 -11.969  -1.307
   74    H    GLU  11           HN       GLU  11  -2.386  -8.038  -2.101
   75    HA   GLU  11           HA       GLU  11   0.093  -7.614  -3.419
   76    HB2  GLU  11           HB2      GLU  11  -2.668  -6.803  -3.676
   77    HB3  GLU  11           HB1      GLU  11  -1.601  -5.435  -3.952
   78    HG2  GLU  11           HG2      GLU  11  -0.839  -7.914  -5.330
   79    HG3  GLU  11           HG1      GLU  11  -2.377  -7.211  -5.833
   80    H    CYS  12           HN       CYS  12  -1.728  -5.903  -0.984
   81    HA   CYS  12           HA       CYS  12   0.338  -3.842  -0.823
   82    HB2  CYS  12           HB2      CYS  12  -2.517  -4.039  -0.042
   83    HB3  CYS  12           HB1      CYS  12  -1.489  -2.978   0.928
   84    H    THR  13           HN       THR  13   1.966  -4.360   0.436
   85    HA   THR  13           HA       THR  13   1.386  -5.688   3.002
   86    HB   THR  13           HB       THR  13   3.789  -6.581   2.746
   87    HG1  THR  13           HG1      THR  13   3.291  -5.969   0.027
   88   HG21  THR  13          HG21      THR  13   1.882  -7.588   0.642
   89   HG22  THR  13          HG22      THR  13   1.706  -7.948   2.363
   90   HG23  THR  13          HG23      THR  13   3.144  -8.483   1.495
   91    H    GLN  14           HN       GLN  14   2.425  -4.913   4.830
   92    HA   GLN  14           HA       GLN  14   2.998  -2.236   5.055
   93    HB2  GLN  14           HB2      GLN  14   4.379  -4.357   6.705
   94    HB3  GLN  14           HB1      GLN  14   3.986  -2.711   7.187
   95    HG2  GLN  14           HG2      GLN  14   2.090  -5.001   6.746
   96    HG3  GLN  14           HG1      GLN  14   2.441  -4.158   8.253
   97   HE21  GLN  14          HE21      GLN  14   0.562  -4.200   5.385
   98   HE22  GLN  14          HE22      GLN  14  -0.366  -2.779   5.706
   99    H    PHE  15           HN       PHE  15   5.014  -4.825   3.970
  100    HA   PHE  15           HA       PHE  15   7.543  -3.643   4.090
  101    HB2  PHE  15           HB2      PHE  15   6.264  -5.907   2.756
  102    HB3  PHE  15           HB1      PHE  15   7.582  -5.226   1.822
  103    HD1  PHE  15           HD2      PHE  15   9.833  -4.969   2.967
  104    HD2  PHE  15           HD1      PHE  15   6.670  -7.327   4.559
  105    HE1  PHE  15           HE2      PHE  15  11.450  -6.182   4.362
  106    HE2  PHE  15           HE1      PHE  15   8.283  -8.549   5.961
  107    HZ   PHE  15           HZ       PHE  15  10.677  -7.978   5.864
  108    H    ARG  16           HN       ARG  16   4.970  -3.423   1.710
  109    HA   ARG  16           HA       ARG  16   6.379  -2.144  -0.338
  110    HB2  ARG  16           HB2      ARG  16   3.465  -1.717   0.317
  111    HB3  ARG  16           HB1      ARG  16   4.238  -1.561  -1.245
  112    HG2  ARG  16           HG2      ARG  16   3.978  -4.119   0.287
  113    HG3  ARG  16           HG1      ARG  16   2.924  -3.611  -1.032
  114    HD2  ARG  16           HD2      ARG  16   5.149  -3.385  -2.360
  115    HD3  ARG  16           HD1      ARG  16   5.797  -4.441  -1.106
  116    HE   ARG  16           HE       ARG  16   3.369  -5.380  -2.360
  117   HH11  ARG  16          HH11      ARG  16   6.861  -5.415  -2.414
  118   HH12  ARG  16          HH12      ARG  16   6.955  -6.899  -3.300
  119   HH21  ARG  16          HH21      ARG  16   3.494  -7.331  -3.524
  120   HH22  ARG  16          HH22      ARG  16   5.045  -7.987  -3.931
  121    H    CYS  17           HN       CYS  17   4.562  -0.744   2.387
  122    HA   CYS  17           HA       CYS  17   5.063   1.937   1.591
  123    HB2  CYS  17           HB2      CYS  17   4.061   0.651   4.093
  124    HB3  CYS  17           HB1      CYS  17   4.534   2.344   4.114
  125    H    ARG  18           HN       ARG  18   6.911  -0.411   3.270
  126    HA   ARG  18           HA       ARG  18   8.630   1.273   4.738
  127    HB2  ARG  18           HB2      ARG  18   8.367  -1.481   4.304
  128    HB3  ARG  18           HB1      ARG  18   9.990  -1.068   3.722
  129    HG2  ARG  18           HG2      ARG  18  10.545  -0.122   5.876
  130    HG3  ARG  18           HG1      ARG  18   8.903  -0.390   6.463
  131    HD2  ARG  18           HD2      ARG  18   9.741  -2.306   7.280
  132    HD3  ARG  18           HD1      ARG  18   9.581  -2.883   5.621
  133    HE   ARG  18           HE       ARG  18  12.084  -1.585   6.088
  134   HH11  ARG  18          HH11      ARG  18  10.359  -4.594   6.476
  135   HH12  ARG  18          HH12      ARG  18  11.795  -5.561   6.483
  136   HH21  ARG  18          HH21      ARG  18  13.974  -2.855   6.099
  137   HH22  ARG  18          HH22      ARG  18  13.848  -4.574   6.270
  138    H    THR  19           HN       THR  19   8.981  -0.298   1.657
  139    HA   THR  19           HA       THR  19  11.255   1.441   1.046
  140    HB   THR  19           HB       THR  19  11.907  -0.783   1.365
  141    HG1  THR  19           HG1      THR  19  13.005  -0.903  -0.436
  142   HG21  THR  19          HG21      THR  19   9.840  -1.919   1.284
  143   HG22  THR  19          HG22      THR  19  10.944  -2.675   0.126
  144   HG23  THR  19          HG23      THR  19   9.663  -1.601  -0.444
  145    H    SER  20           HN       SER  20   8.226   0.185  -0.228
  146    HA   SER  20           HA       SER  20   8.691   1.531  -2.786
  147    HB2  SER  20           HB2      SER  20   6.854  -0.611  -1.841
  148    HB3  SER  20           HB1      SER  20   6.292   0.417  -3.160
  149    HG   SER  20           HG       SER  20   8.766  -0.976  -3.127
  150    H    MET  21           HN       MET  21   8.055   3.558  -3.033
  151    HA   MET  21           HA       MET  21   6.196   4.799  -1.221
  152    HB2  MET  21           HB2      MET  21   8.076   5.666  -3.301
  153    HB3  MET  21           HB1      MET  21   6.611   6.634  -3.218
  154    HG2  MET  21           HG2      MET  21   7.112   7.477  -1.172
  155    HG3  MET  21           HG1      MET  21   8.007   6.042  -0.676
  156    HE1  MET  21           HE1      MET  21   9.233   9.152  -0.118
  157    HE2  MET  21           HE2      MET  21  10.865   8.503  -0.279
  158    HE3  MET  21           HE3      MET  21   9.603   7.537   0.485
  159    H    LYS  22           HN       LYS  22   6.125   3.635  -4.530
  160    HA   LYS  22           HA       LYS  22   3.766   4.890  -5.381
  161    HB2  LYS  22           HB2      LYS  22   5.343   3.832  -6.916
  162    HB3  LYS  22           HB1      LYS  22   4.958   2.253  -6.248
  163    HG2  LYS  22           HG2      LYS  22   3.557   2.122  -7.986
  164    HG3  LYS  22           HG1      LYS  22   2.497   3.106  -6.977
  165    HD2  LYS  22           HD2      LYS  22   2.470   4.491  -8.749
  166    HD3  LYS  22           HD1      LYS  22   4.041   5.016  -8.140
  167    HE2  LYS  22           HE2      LYS  22   4.932   3.023  -9.576
  168    HE3  LYS  22           HE1      LYS  22   3.396   3.201 -10.422
  169    HZ1  LYS  22           HZ1      LYS  22   3.987   5.593 -10.712
  170    HZ2  LYS  22           HZ2      LYS  22   4.988   4.518 -11.550
  171    HZ3  LYS  22           HZ3      LYS  22   5.531   5.236 -10.118
  172    H    TYR  23           HN       TYR  23   4.259   1.778  -3.769
  173    HA   TYR  23           HA       TYR  23   1.594   0.872  -3.985
  174    HB2  TYR  23           HB2      TYR  23   3.886   0.159  -2.186
  175    HB3  TYR  23           HB1      TYR  23   2.305  -0.586  -1.984
  176    HD1  TYR  23           HD2      TYR  23   4.264   0.290  -5.036
  177    HD2  TYR  23           HD1      TYR  23   2.445  -2.762  -2.706
  178    HE1  TYR  23           HE2      TYR  23   4.834  -1.364  -6.768
  179    HE2  TYR  23           HE1      TYR  23   3.010  -4.424  -4.418
  180    HH   TYR  23           HH       TYR  23   5.203  -3.844  -6.895
  181    H    ARG  24           HN       ARG  24   3.106   3.085  -1.823
  182    HA   ARG  24           HA       ARG  24   1.201   2.820   0.300
  183    HB2  ARG  24           HB2      ARG  24   2.724   5.335   0.114
  184    HB3  ARG  24           HB1      ARG  24   2.520   4.244   1.471
  185    HG2  ARG  24           HG2      ARG  24   4.121   2.690   0.289
  186    HG3  ARG  24           HG1      ARG  24   4.450   4.023  -0.814
  187    HD2  ARG  24           HD2      ARG  24   5.131   5.419   1.073
  188    HD3  ARG  24           HD1      ARG  24   4.817   4.081   2.177
  189    HE   ARG  24           HE       ARG  24   6.572   2.930   0.594
  190   HH11  ARG  24          HH11      ARG  24   6.620   6.182   1.889
  191   HH12  ARG  24          HH12      ARG  24   8.347   6.287   1.887
  192   HH21  ARG  24          HH21      ARG  24   8.841   3.077   0.606
  193   HH22  ARG  24          HH22      ARG  24   9.607   4.527   1.162
  194    H    LEU  25           HN       LEU  25   1.861   5.557  -1.877
  195    HA   LEU  25           HA       LEU  25  -0.753   6.661  -1.231
  196    HB2  LEU  25           HB2      LEU  25   1.327   7.855  -3.040
  197    HB3  LEU  25           HB1      LEU  25   0.032   8.680  -2.188
  198    HG   LEU  25           HG       LEU  25   1.820   9.277  -0.883
  199   HD11  LEU  25          HD11      LEU  25   1.658   6.758   0.626
  200   HD12  LEU  25          HD12      LEU  25   0.111   7.537   0.294
  201   HD13  LEU  25          HD13      LEU  25   1.376   8.420   1.145
  202   HD21  LEU  25          HD21      LEU  25   3.812   8.430  -1.348
  203   HD22  LEU  25          HD22      LEU  25   3.075   7.036  -2.137
  204   HD23  LEU  25          HD23      LEU  25   3.401   6.999  -0.403
  205    H    ASN  26           HN       ASN  26   1.020   5.530  -4.070
  206    HA   ASN  26           HA       ASN  26  -1.002   6.252  -5.922
  207    HB2  ASN  26           HB2      ASN  26   1.584   5.612  -6.153
  208    HB3  ASN  26           HB1      ASN  26   0.870   4.065  -6.608
  209   HD21  ASN  26          HD21      ASN  26   0.103   3.821  -8.606
  210   HD22  ASN  26          HD22      ASN  26  -0.053   5.085  -9.773
  211    H    LEU  27           HN       LEU  27  -0.294   3.230  -4.200
  212    HA   LEU  27           HA       LEU  27  -2.553   1.963  -5.562
  213    HB2  LEU  27           HB2      LEU  27  -0.247   0.954  -3.973
  214    HB3  LEU  27           HB1      LEU  27  -1.714  -0.002  -3.989
  215    HG   LEU  27           HG       LEU  27  -1.606  -0.032  -6.481
  216   HD11  LEU  27          HD11      LEU  27   0.287   0.702  -7.649
  217   HD12  LEU  27          HD12      LEU  27   1.213   0.945  -6.167
  218   HD13  LEU  27          HD13      LEU  27  -0.121   2.029  -6.561
  219   HD21  LEU  27          HD21      LEU  27  -0.021  -1.787  -6.578
  220   HD22  LEU  27          HD22      LEU  27  -0.727  -1.834  -4.962
  221   HD23  LEU  27          HD23      LEU  27   0.879  -1.145  -5.203
  222    H    CYS  28           HN       CYS  28  -2.053   0.673  -2.432
  223    HA   CYS  28           HA       CYS  28  -4.627   1.748  -1.587
  224    HB2  CYS  28           HB2      CYS  28  -4.429   0.084   0.200
  225    HB3  CYS  28           HB1      CYS  28  -4.155  -0.657  -1.380
  226    H    LYS  29           HN       LYS  29  -4.922   2.864   0.324
  227    HA   LYS  29           HA       LYS  29  -2.674   4.445   1.191
  228    HB2  LYS  29           HB2      LYS  29  -5.578   4.493   2.019
  229    HB3  LYS  29           HB1      LYS  29  -4.360   5.643   2.558
  230    HG2  LYS  29           HG2      LYS  29  -4.380   5.439  -0.319
  231    HG3  LYS  29           HG1      LYS  29  -5.985   5.835   0.304
  232    HD2  LYS  29           HD2      LYS  29  -5.359   7.905   0.897
  233    HD3  LYS  29           HD1      LYS  29  -3.845   7.337   1.603
  234    HE2  LYS  29           HE2      LYS  29  -2.902   8.431  -0.119
  235    HE3  LYS  29           HE1      LYS  29  -3.343   6.994  -1.039
  236    HZ1  LYS  29           HZ1      LYS  29  -4.016   9.140  -2.069
  237    HZ2  LYS  29           HZ2      LYS  29  -5.093   9.376  -0.786
  238    HZ3  LYS  29           HZ3      LYS  29  -5.296   8.060  -1.828
  239    H    LYS  30           HN       LYS  30  -5.116   2.466   2.836
  240    HA   LYS  30           HA       LYS  30  -3.541   2.375   5.235
  241    HB2  LYS  30           HB2      LYS  30  -5.907   2.557   5.469
  242    HB3  LYS  30           HB1      LYS  30  -6.169   1.124   4.483
  243    HG2  LYS  30           HG2      LYS  30  -6.489   0.376   6.659
  244    HG3  LYS  30           HG1      LYS  30  -4.839  -0.122   6.272
  245    HD2  LYS  30           HD2      LYS  30  -4.327   0.851   8.227
  246    HD3  LYS  30           HD1      LYS  30  -4.410   2.349   7.299
  247    HE2  LYS  30           HE2      LYS  30  -7.001   1.425   8.295
  248    HE3  LYS  30           HE1      LYS  30  -5.842   1.802   9.569
  249    HZ1  LYS  30           HZ1      LYS  30  -7.351   3.656   8.637
  250    HZ2  LYS  30           HZ2      LYS  30  -6.253   3.694   7.351
  251    HZ3  LYS  30           HZ3      LYS  30  -5.718   3.996   8.927
  252    H    THR  31           HN       THR  31  -4.782  -0.202   3.062
  253    HA   THR  31           HA       THR  31  -3.708  -2.343   4.363
  254    HB   THR  31           HB       THR  31  -3.852  -2.039   1.368
  255    HG1  THR  31           HG1      THR  31  -5.749  -2.898   3.291
  256   HG21  THR  31          HG21      THR  31  -3.953  -4.383   1.232
  257   HG22  THR  31          HG22      THR  31  -4.072  -4.551   2.982
  258   HG23  THR  31          HG23      THR  31  -2.562  -4.008   2.253
  259    H    CYS  32           HN       CYS  32  -1.963  -0.063   2.396
  260    HA   CYS  32           HA       CYS  32   0.398  -1.706   2.198
  261    HB2  CYS  32           HB2      CYS  32   0.148  -0.061   0.489
  262    HB3  CYS  32           HB1      CYS  32  -0.055   1.234   1.663
  263    H    GLY  33           HN       GLY  33  -0.985   0.163   4.625
  264    HA2  GLY  33           HA2      GLY  33  -0.265   0.246   6.850
  265    HA3  GLY  33           HA1      GLY  33   1.330  -0.269   6.329
  266    H    THR  34           HN       THR  34  -0.651   2.524   5.315
  267    HA   THR  34           HA       THR  34   1.367   4.283   6.511
  268    HB   THR  34           HB       THR  34   2.063   4.186   4.233
  269    HG1  THR  34           HG1      THR  34   1.946   6.287   5.171
  270   HG21  THR  34          HG21      THR  34  -0.715   4.931   3.381
  271   HG22  THR  34          HG22      THR  34  -0.001   3.324   3.221
  272   HG23  THR  34          HG23      THR  34   0.688   4.688   2.341
  273    H    CYS  35           HN       CYS  35  -1.902   3.876   5.277
  274    HA   CYS  35           HA       CYS  35  -2.805   6.489   5.912
  275    HB2  CYS  35           HB2      CYS  35  -3.988   4.921   4.370
  276    HB3  CYS  35           HB1      CYS  35  -4.469   3.970   5.770
  Start of MODEL    6
    1    H1   ALA   2           HT1      ALA   2 -12.783   5.503   4.971
    2    H2   ALA   2           HT2      ALA   2 -12.623   6.458   6.389
    3    H3   ALA   2           HT3      ALA   2 -11.256   5.649   5.736
    4    HA   ALA   2           HA       ALA   2 -12.786   7.771   4.392
    5    HB1  ALA   2           HB1      ALA   2 -10.486   8.954   4.818
    6    HB2  ALA   2           HB2      ALA   2 -10.391   7.819   6.164
    7    HB3  ALA   2           HB3      ALA   2 -11.739   8.950   6.058
    8    H    CYS   3           HN       CYS   3  -9.665   6.045   4.535
    9    HA   CYS   3           HA       CYS   3  -9.402   6.394   1.636
   10    HB2  CYS   3           HB2      CYS   3  -7.042   5.636   2.022
   11    HB3  CYS   3           HB1      CYS   3  -7.467   7.128   2.853
   12    H    LYS   4           HN       LYS   4  -8.583   4.558   0.366
   13    HA   LYS   4           HA       LYS   4  -9.385   1.949   1.463
   14    HB2  LYS   4           HB2      LYS   4 -10.040   2.965  -1.309
   15    HB3  LYS   4           HB1      LYS   4 -10.415   1.364  -0.685
   16    HG2  LYS   4           HG2      LYS   4 -11.432   3.602   0.923
   17    HG3  LYS   4           HG1      LYS   4 -12.134   3.443  -0.688
   18    HD2  LYS   4           HD2      LYS   4 -12.393   0.942  -0.057
   19    HD3  LYS   4           HD1      LYS   4 -12.189   1.512   1.600
   20    HE2  LYS   4           HE2      LYS   4 -14.085   2.999   1.355
   21    HE3  LYS   4           HE1      LYS   4 -14.256   2.541  -0.339
   22    HZ1  LYS   4           HZ1      LYS   4 -15.638   1.412   1.621
   23    HZ2  LYS   4           HZ2      LYS   4 -14.310   0.365   1.588
   24    HZ3  LYS   4           HZ3      LYS   4 -15.236   0.599   0.192
   25    H    ASP   5           HN       ASP   5  -8.776   0.261  -0.474
   26    HA   ASP   5           HA       ASP   5  -5.964   0.799  -1.106
   27    HB2  ASP   5           HB2      ASP   5  -5.514  -1.590  -0.729
   28    HB3  ASP   5           HB1      ASP   5  -6.153  -0.814   0.716
   29    H    TYR   6           HN       TYR   6  -5.368   0.554  -3.136
   30    HA   TYR   6           HA       TYR   6  -7.270  -0.003  -5.171
   31    HB2  TYR   6           HB2      TYR   6  -4.722   1.184  -5.022
   32    HB3  TYR   6           HB1      TYR   6  -4.551  -0.176  -6.127
   33    HD1  TYR   6           HD1      TYR   6  -6.979   2.595  -5.462
   34    HD2  TYR   6           HD2      TYR   6  -4.912   0.261  -8.357
   35    HE1  TYR   6           HE1      TYR   6  -7.988   3.939  -7.257
   36    HE2  TYR   6           HE2      TYR   6  -5.915   1.598 -10.161
   37    HH   TYR   6           HH       TYR   6  -8.486   3.807  -9.600
   38    H    LEU   7           HN       LEU   7  -5.380  -2.038  -3.235
   39    HA   LEU   7           HA       LEU   7  -5.992  -4.297  -4.994
   40    HB2  LEU   7           HB2      LEU   7  -3.297  -3.479  -4.019
   41    HB3  LEU   7           HB1      LEU   7  -3.642  -5.171  -4.154
   42    HG   LEU   7           HG       LEU   7  -4.261  -3.475  -6.502
   43   HD11  LEU   7          HD11      LEU   7  -2.190  -2.599  -6.441
   44   HD12  LEU   7          HD12      LEU   7  -1.731  -4.178  -7.079
   45   HD13  LEU   7          HD13      LEU   7  -1.581  -3.847  -5.353
   46   HD21  LEU   7          HD21      LEU   7  -4.714  -5.555  -7.184
   47   HD22  LEU   7          HD22      LEU   7  -3.772  -6.288  -5.889
   48   HD23  LEU   7          HD23      LEU   7  -2.967  -5.721  -7.349
   49    HA   PRO   8           HA       PRO   8  -6.896  -6.348  -1.194
   50    HB2  PRO   8           HB2      PRO   8  -6.237  -8.890  -1.551
   51    HB3  PRO   8           HB1      PRO   8  -7.454  -8.118  -2.578
   52    HG2  PRO   8           HG2      PRO   8  -4.598  -8.719  -3.138
   53    HG3  PRO   8           HG1      PRO   8  -6.007  -8.863  -4.202
   54    HD2  PRO   8           HD2      PRO   8  -4.212  -6.747  -4.172
   55    HD3  PRO   8           HD1      PRO   8  -5.817  -6.670  -4.888
   56    H    LYS   9           HN       LYS   9  -6.125  -7.610   0.609
   57    HA   LYS   9           HA       LYS   9  -3.887  -6.521   1.808
   58    HB2  LYS   9           HB2      LYS   9  -5.123  -9.197   2.462
   59    HB3  LYS   9           HB1      LYS   9  -4.143  -8.209   3.537
   60    HG2  LYS   9           HG2      LYS   9  -5.829  -6.732   3.950
   61    HG3  LYS   9           HG1      LYS   9  -6.599  -7.002   2.385
   62    HD2  LYS   9           HD2      LYS   9  -6.539  -9.083   4.559
   63    HD3  LYS   9           HD1      LYS   9  -7.834  -7.895   4.406
   64    HE2  LYS   9           HE2      LYS   9  -8.707  -8.882   2.563
   65    HE3  LYS   9           HE1      LYS   9  -7.131  -9.393   1.960
   66    HZ1  LYS   9           HZ1      LYS   9  -7.260 -11.350   3.030
   67    HZ2  LYS   9           HZ2      LYS   9  -8.926 -11.060   2.996
   68    HZ3  LYS   9           HZ3      LYS   9  -8.035 -10.701   4.388
   69    H    SER  10           HN       SER  10  -4.028  -9.132  -0.439
   70    HA   SER  10           HA       SER  10  -1.522 -10.306   0.339
   71    HB2  SER  10           HB2      SER  10  -1.819 -11.773  -1.551
   72    HB3  SER  10           HB1      SER  10  -3.375 -11.594  -0.741
   73    HG   SER  10           HG       SER  10  -2.729 -11.025  -3.275
   74    H    GLU  11           HN       GLU  11  -2.460  -7.663  -1.675
   75    HA   GLU  11           HA       GLU  11   0.081  -7.725  -3.134
   76    HB2  GLU  11           HB2      GLU  11  -2.586  -6.667  -3.571
   77    HB3  GLU  11           HB1      GLU  11  -1.352  -5.468  -3.907
   78    HG2  GLU  11           HG2      GLU  11  -0.715  -8.047  -5.067
   79    HG3  GLU  11           HG1      GLU  11  -2.286  -7.446  -5.606
   80    H    CYS  12           HN       CYS  12  -1.771  -5.775  -0.896
   81    HA   CYS  12           HA       CYS  12   0.401  -3.836  -0.720
   82    HB2  CYS  12           HB2      CYS  12  -2.490  -3.859  -0.090
   83    HB3  CYS  12           HB1      CYS  12  -1.472  -2.822   0.917
   84    H    THR  13           HN       THR  13   1.953  -4.369   0.630
   85    HA   THR  13           HA       THR  13   1.210  -5.555   3.224
   86    HB   THR  13           HB       THR  13   3.612  -6.468   3.158
   87    HG1  THR  13           HG1      THR  13   4.734  -5.865   1.521
   88   HG21  THR  13          HG21      THR  13   1.530  -7.821   2.641
   89   HG22  THR  13          HG22      THR  13   3.046  -8.414   1.965
   90   HG23  THR  13          HG23      THR  13   1.899  -7.551   0.935
   91    H    GLN  14           HN       GLN  14   2.154  -4.704   5.079
   92    HA   GLN  14           HA       GLN  14   2.734  -2.015   5.197
   93    HB2  GLN  14           HB2      GLN  14   3.580  -4.284   6.994
   94    HB3  GLN  14           HB1      GLN  14   3.968  -2.609   7.365
   95    HG2  GLN  14           HG2      GLN  14   2.027  -3.032   8.573
   96    HG3  GLN  14           HG1      GLN  14   1.466  -2.162   7.146
   97   HE21  GLN  14          HE21      GLN  14   0.209  -3.215   5.632
   98   HE22  GLN  14          HE22      GLN  14  -0.472  -4.779   5.907
   99    H    PHE  15           HN       PHE  15   4.768  -4.673   4.351
  100    HA   PHE  15           HA       PHE  15   7.301  -3.498   4.574
  101    HB2  PHE  15           HB2      PHE  15   6.094  -5.836   3.295
  102    HB3  PHE  15           HB1      PHE  15   7.476  -5.212   2.413
  103    HD1  PHE  15           HD2      PHE  15   9.662  -4.961   3.622
  104    HD2  PHE  15           HD1      PHE  15   6.359  -7.079   5.266
  105    HE1  PHE  15           HE2      PHE  15  11.178  -6.091   5.190
  106    HE2  PHE  15           HE1      PHE  15   7.869  -8.217   6.842
  107    HZ   PHE  15           HZ       PHE  15  10.283  -7.724   6.806
  108    H    ARG  16           HN       ARG  16   4.899  -3.476   1.996
  109    HA   ARG  16           HA       ARG  16   6.375  -2.327  -0.048
  110    HB2  ARG  16           HB2      ARG  16   3.453  -1.918   0.601
  111    HB3  ARG  16           HB1      ARG  16   4.207  -1.539  -0.934
  112    HG2  ARG  16           HG2      ARG  16   4.174  -4.280   0.264
  113    HG3  ARG  16           HG1      ARG  16   2.959  -3.686  -0.867
  114    HD2  ARG  16           HD2      ARG  16   4.395  -4.716  -2.323
  115    HD3  ARG  16           HD1      ARG  16   5.085  -3.094  -2.305
  116    HE   ARG  16           HE       ARG  16   6.948  -3.928  -1.262
  117   HH11  ARG  16          HH11      ARG  16   4.402  -6.311  -1.121
  118   HH12  ARG  16          HH12      ARG  16   5.434  -7.560  -0.512
  119   HH21  ARG  16          HH21      ARG  16   8.307  -5.571  -0.459
  120   HH22  ARG  16          HH22      ARG  16   7.650  -7.140  -0.135
  121    H    CYS  17           HN       CYS  17   4.491  -0.665   2.483
  122    HA   CYS  17           HA       CYS  17   5.191   1.917   1.551
  123    HB2  CYS  17           HB2      CYS  17   3.968   0.870   4.064
  124    HB3  CYS  17           HB1      CYS  17   4.528   2.535   3.997
  125    H    ARG  18           HN       ARG  18   6.793  -0.386   3.520
  126    HA   ARG  18           HA       ARG  18   8.517   1.291   4.970
  127    HB2  ARG  18           HB2      ARG  18   8.169  -1.469   4.643
  128    HB3  ARG  18           HB1      ARG  18   9.835  -1.141   4.136
  129    HG2  ARG  18           HG2      ARG  18  10.113   0.089   6.327
  130    HG3  ARG  18           HG1      ARG  18   8.552  -0.578   6.811
  131    HD2  ARG  18           HD2      ARG  18   9.397  -2.832   6.534
  132    HD3  ARG  18           HD1      ARG  18  10.936  -2.209   5.942
  133    HE   ARG  18           HE       ARG  18  10.141  -2.492   8.658
  134   HH11  ARG  18          HH11      ARG  18  12.019  -0.485   6.509
  135   HH12  ARG  18          HH12      ARG  18  13.090   0.063   7.754
  136   HH21  ARG  18          HH21      ARG  18  11.550  -1.774  10.298
  137   HH22  ARG  18          HH22      ARG  18  12.825  -0.669   9.906
  138    H    THR  19           HN       THR  19   8.954  -0.429   1.981
  139    HA   THR  19           HA       THR  19  11.323   1.194   1.413
  140    HB   THR  19           HB       THR  19  11.869  -1.037   1.861
  141    HG1  THR  19           HG1      THR  19  13.110  -0.771   0.160
  142   HG21  THR  19          HG21      THR  19   9.743  -2.078   1.708
  143   HG22  THR  19          HG22      THR  19  10.895  -2.949   0.686
  144   HG23  THR  19          HG23      THR  19   9.708  -1.865  -0.046
  145    H    SER  20           HN       SER  20   8.315  -0.005   0.031
  146    HA   SER  20           HA       SER  20   8.963   1.250  -2.540
  147    HB2  SER  20           HB2      SER  20   7.834  -1.152  -2.062
  148    HB3  SER  20           HB1      SER  20   6.381  -0.163  -2.208
  149    HG   SER  20           HG       SER  20   6.688  -0.358  -4.271
  150    H    MET  21           HN       MET  21   8.295   3.241  -2.950
  151    HA   MET  21           HA       MET  21   6.375   4.561  -1.263
  152    HB2  MET  21           HB2      MET  21   8.313   5.331  -3.328
  153    HB3  MET  21           HB1      MET  21   6.841   6.293  -3.337
  154    HG2  MET  21           HG2      MET  21   7.204   7.090  -1.180
  155    HG3  MET  21           HG1      MET  21   8.366   5.818  -0.808
  156    HE1  MET  21           HE1      MET  21   8.983   8.352   0.151
  157    HE2  MET  21           HE2      MET  21  10.320   9.205  -0.622
  158    HE3  MET  21           HE3      MET  21  10.554   7.567  -0.010
  159    H    LYS  22           HN       LYS  22   6.446   3.381  -4.590
  160    HA   LYS  22           HA       LYS  22   4.142   4.523  -5.589
  161    HB2  LYS  22           HB2      LYS  22   5.692   3.254  -6.968
  162    HB3  LYS  22           HB1      LYS  22   5.256   1.769  -6.134
  163    HG2  LYS  22           HG2      LYS  22   2.867   2.267  -6.962
  164    HG3  LYS  22           HG1      LYS  22   3.657   3.369  -8.090
  165    HD2  LYS  22           HD2      LYS  22   5.145   1.030  -8.257
  166    HD3  LYS  22           HD1      LYS  22   3.474   0.475  -8.136
  167    HE2  LYS  22           HE2      LYS  22   3.891   0.745 -10.440
  168    HE3  LYS  22           HE1      LYS  22   2.933   2.146  -9.961
  169    HZ1  LYS  22           HZ1      LYS  22   4.630   3.549 -10.351
  170    HZ2  LYS  22           HZ2      LYS  22   5.182   2.314 -11.367
  171    HZ3  LYS  22           HZ3      LYS  22   5.814   2.470  -9.806
  172    H    TYR  23           HN       TYR  23   4.386   1.340  -4.009
  173    HA   TYR  23           HA       TYR  23   1.716   0.625  -4.108
  174    HB2  TYR  23           HB2      TYR  23   3.935  -0.043  -2.211
  175    HB3  TYR  23           HB1      TYR  23   2.311  -0.660  -1.931
  176    HD1  TYR  23           HD2      TYR  23   4.372  -0.242  -5.013
  177    HD2  TYR  23           HD1      TYR  23   2.226  -2.884  -2.472
  178    HE1  TYR  23           HE2      TYR  23   4.822  -2.096  -6.572
  179    HE2  TYR  23           HE1      TYR  23   2.669  -4.745  -4.008
  180    HH   TYR  23           HH       TYR  23   4.968  -4.723  -6.312
  181    H    ARG  24           HN       ARG  24   3.305   2.844  -1.976
  182    HA   ARG  24           HA       ARG  24   1.288   2.881   0.041
  183    HB2  ARG  24           HB2      ARG  24   3.016   5.261  -0.339
  184    HB3  ARG  24           HB1      ARG  24   2.588   4.412   1.135
  185    HG2  ARG  24           HG2      ARG  24   4.116   2.573   0.401
  186    HG3  ARG  24           HG1      ARG  24   4.647   3.627  -0.906
  187    HD2  ARG  24           HD2      ARG  24   5.244   5.334   0.810
  188    HD3  ARG  24           HD1      ARG  24   4.888   4.135   2.053
  189    HE   ARG  24           HE       ARG  24   6.665   2.797   0.632
  190   HH11  ARG  24          HH11      ARG  24   6.720   6.153   1.627
  191   HH12  ARG  24          HH12      ARG  24   8.447   6.238   1.668
  192   HH21  ARG  24          HH21      ARG  24   8.935   2.920   0.697
  193   HH22  ARG  24          HH22      ARG  24   9.705   4.405   1.142
  194    H    LEU  25           HN       LEU  25   2.194   5.399  -2.303
  195    HA   LEU  25           HA       LEU  25  -0.386   6.681  -1.886
  196    HB2  LEU  25           HB2      LEU  25   1.833   7.628  -3.674
  197    HB3  LEU  25           HB1      LEU  25   0.555   8.579  -2.935
  198    HG   LEU  25           HG       LEU  25   2.315   9.175  -1.597
  199   HD11  LEU  25          HD11      LEU  25   1.764   8.473   0.463
  200   HD12  LEU  25          HD12      LEU  25   1.991   6.771   0.063
  201   HD13  LEU  25          HD13      LEU  25   0.491   7.589  -0.376
  202   HD21  LEU  25          HD21      LEU  25   3.779   6.875  -0.914
  203   HD22  LEU  25          HD22      LEU  25   4.279   8.213  -1.946
  204   HD23  LEU  25          HD23      LEU  25   3.505   6.798  -2.655
  205    H    ASN  26           HN       ASN  26   1.463   5.202  -4.496
  206    HA   ASN  26           HA       ASN  26  -0.377   5.881  -6.543
  207    HB2  ASN  26           HB2      ASN  26   2.150   5.125  -6.579
  208    HB3  ASN  26           HB1      ASN  26   1.429   3.533  -6.820
  209   HD21  ASN  26          HD21      ASN  26  -0.493   3.697  -8.481
  210   HD22  ASN  26          HD22      ASN  26  -0.078   4.485  -9.961
  211    H    LEU  27           HN       LEU  27  -0.001   2.973  -4.532
  212    HA   LEU  27           HA       LEU  27  -2.292   1.788  -5.928
  213    HB2  LEU  27           HB2      LEU  27  -0.123   0.675  -4.209
  214    HB3  LEU  27           HB1      LEU  27  -1.648  -0.181  -4.300
  215    HG   LEU  27           HG       LEU  27  -1.392  -0.268  -6.779
  216   HD11  LEU  27          HD11      LEU  27   0.075   1.572  -7.170
  217   HD12  LEU  27          HD12      LEU  27   0.909   0.096  -7.656
  218   HD13  LEU  27          HD13      LEU  27   1.314   0.875  -6.126
  219   HD21  LEU  27          HD21      LEU  27   0.986  -1.518  -5.454
  220   HD22  LEU  27          HD22      LEU  27  -0.044  -2.166  -6.730
  221   HD23  LEU  27          HD23      LEU  27  -0.655  -2.046  -5.080
  222    H    CYS  28           HN       CYS  28  -1.912   0.610  -2.732
  223    HA   CYS  28           HA       CYS  28  -4.449   1.825  -1.980
  224    HB2  CYS  28           HB2      CYS  28  -4.377   0.247  -0.138
  225    HB3  CYS  28           HB1      CYS  28  -3.997  -0.594  -1.644
  226    H    LYS  29           HN       LYS  29  -4.741   3.052  -0.137
  227    HA   LYS  29           HA       LYS  29  -2.463   4.623   0.672
  228    HB2  LYS  29           HB2      LYS  29  -5.386   4.789   1.402
  229    HB3  LYS  29           HB1      LYS  29  -4.159   5.910   1.979
  230    HG2  LYS  29           HG2      LYS  29  -4.032   5.664  -0.885
  231    HG3  LYS  29           HG1      LYS  29  -5.664   6.093  -0.365
  232    HD2  LYS  29           HD2      LYS  29  -5.031   8.134   0.386
  233    HD3  LYS  29           HD1      LYS  29  -3.458   7.558   0.941
  234    HE2  LYS  29           HE2      LYS  29  -3.071   7.303  -1.678
  235    HE3  LYS  29           HE1      LYS  29  -4.283   8.582  -1.719
  236    HZ1  LYS  29           HZ1      LYS  29  -1.701   9.067  -1.482
  237    HZ2  LYS  29           HZ2      LYS  29  -2.082   8.922   0.160
  238    HZ3  LYS  29           HZ3      LYS  29  -2.878  10.070  -0.793
  239    H    LYS  30           HN       LYS  30  -4.985   2.818   2.401
  240    HA   LYS  30           HA       LYS  30  -3.441   2.830   4.822
  241    HB2  LYS  30           HB2      LYS  30  -5.804   3.099   5.010
  242    HB3  LYS  30           HB1      LYS  30  -6.100   1.611   4.118
  243    HG2  LYS  30           HG2      LYS  30  -6.469   1.033   6.342
  244    HG3  LYS  30           HG1      LYS  30  -4.839   0.444   6.003
  245    HD2  LYS  30           HD2      LYS  30  -4.261   1.537   7.866
  246    HD3  LYS  30           HD1      LYS  30  -4.351   2.985   6.862
  247    HE2  LYS  30           HE2      LYS  30  -6.788   1.932   8.249
  248    HE3  LYS  30           HE1      LYS  30  -5.623   2.929   9.119
  249    HZ1  LYS  30           HZ1      LYS  30  -7.163   3.682   6.697
  250    HZ2  LYS  30           HZ2      LYS  30  -5.915   4.620   7.347
  251    HZ3  LYS  30           HZ3      LYS  30  -7.316   4.336   8.250
  252    H    THR  31           HN       THR  31  -4.723   0.166   2.787
  253    HA   THR  31           HA       THR  31  -3.747  -1.929   4.233
  254    HB   THR  31           HB       THR  31  -3.832  -1.788   1.223
  255    HG1  THR  31           HG1      THR  31  -5.909  -2.763   1.595
  256   HG21  THR  31          HG21      THR  31  -3.951  -4.120   1.188
  257   HG22  THR  31          HG22      THR  31  -4.166  -4.216   2.934
  258   HG23  THR  31          HG23      THR  31  -2.607  -3.740   2.267
  259    H    CYS  32           HN       CYS  32  -1.892   0.195   2.204
  260    HA   CYS  32           HA       CYS  32   0.425  -1.526   2.143
  261    HB2  CYS  32           HB2      CYS  32   0.266  -0.001   0.330
  262    HB3  CYS  32           HB1      CYS  32   0.035   1.375   1.402
  263    H    GLY  33           HN       GLY  33  -0.951   0.525   4.424
  264    HA2  GLY  33           HA2      GLY  33  -0.266   0.719   6.654
  265    HA3  GLY  33           HA1      GLY  33   1.325   0.142   6.193
  266    H    THR  34           HN       THR  34  -0.569   2.912   4.974
  267    HA   THR  34           HA       THR  34   1.465   4.694   6.109
  268    HB   THR  34           HB       THR  34   2.203   4.467   3.858
  269    HG1  THR  34           HG1      THR  34   2.155   6.555   3.269
  270   HG21  THR  34          HG21      THR  34   0.864   4.870   1.911
  271   HG22  THR  34          HG22      THR  34  -0.554   5.174   2.911
  272   HG23  THR  34          HG23      THR  34   0.157   3.559   2.854
  273    H    CYS  35           HN       CYS  35  -1.785   4.300   4.813
  274    HA   CYS  35           HA       CYS  35  -2.652   6.952   5.286
  275    HB2  CYS  35           HB2      CYS  35  -3.827   5.274   3.834
  276    HB3  CYS  35           HB1      CYS  35  -4.377   4.471   5.300
  Start of MODEL    7
    1    H1   ALA   2           HT1      ALA   2 -10.143   6.718   5.962
    2    H2   ALA   2           HT2      ALA   2 -11.657   6.394   5.221
    3    H3   ALA   2           HT3      ALA   2 -11.525   7.633   6.400
    4    HA   ALA   2           HA       ALA   2 -11.628   8.280   3.988
    5    HB1  ALA   2           HB1      ALA   2  -9.563   9.901   4.539
    6    HB2  ALA   2           HB2      ALA   2  -9.873   9.257   6.152
    7    HB3  ALA   2           HB3      ALA   2 -11.158  10.082   5.270
    8    H    CYS   3           HN       CYS   3 -10.256   5.700   3.936
    9    HA   CYS   3           HA       CYS   3  -8.527   6.229   1.709
   10    HB2  CYS   3           HB2      CYS   3  -6.649   4.810   2.841
   11    HB3  CYS   3           HB1      CYS   3  -6.754   6.534   3.173
   12    H    LYS   4           HN       LYS   4  -8.254   4.459   0.389
   13    HA   LYS   4           HA       LYS   4  -9.498   1.945   1.291
   14    HB2  LYS   4           HB2      LYS   4  -9.708   3.158  -1.471
   15    HB3  LYS   4           HB1      LYS   4 -10.416   1.634  -0.954
   16    HG2  LYS   4           HG2      LYS   4 -11.130   4.140   0.491
   17    HG3  LYS   4           HG1      LYS   4 -11.866   3.794  -1.076
   18    HD2  LYS   4           HD2      LYS   4 -12.684   1.660  -0.238
   19    HD3  LYS   4           HD1      LYS   4 -11.902   1.954   1.317
   20    HE2  LYS   4           HE2      LYS   4 -13.509   3.382   1.999
   21    HE3  LYS   4           HE1      LYS   4 -13.710   4.083   0.394
   22    HZ1  LYS   4           HZ1      LYS   4 -14.941   2.058  -0.239
   23    HZ2  LYS   4           HZ2      LYS   4 -15.697   2.925   1.001
   24    HZ3  LYS   4           HZ3      LYS   4 -14.839   1.513   1.360
   25    H    ASP   5           HN       ASP   5  -8.962   0.222  -0.598
   26    HA   ASP   5           HA       ASP   5  -6.067   0.382  -1.020
   27    HB2  ASP   5           HB2      ASP   5  -5.952  -2.043  -0.657
   28    HB3  ASP   5           HB1      ASP   5  -6.599  -1.205   0.748
   29    H    TYR   6           HN       TYR   6  -5.398   0.211  -3.015
   30    HA   TYR   6           HA       TYR   6  -7.235  -0.270  -5.158
   31    HB2  TYR   6           HB2      TYR   6  -4.619   0.862  -4.848
   32    HB3  TYR   6           HB1      TYR   6  -4.578  -0.326  -6.145
   33    HD1  TYR   6           HD1      TYR   6  -7.359   1.933  -5.132
   34    HD2  TYR   6           HD2      TYR   6  -4.461   0.959  -8.091
   35    HE1  TYR   6           HE1      TYR   6  -8.371   3.576  -6.655
   36    HE2  TYR   6           HE2      TYR   6  -5.465   2.600  -9.622
   37    HH   TYR   6           HH       TYR   6  -6.913   4.807  -9.265
   38    H    LEU   7           HN       LEU   7  -5.469  -2.355  -3.179
   39    HA   LEU   7           HA       LEU   7  -5.980  -4.559  -5.017
   40    HB2  LEU   7           HB2      LEU   7  -3.252  -3.814  -4.029
   41    HB3  LEU   7           HB1      LEU   7  -3.643  -5.468  -4.387
   42    HG   LEU   7           HG       LEU   7  -4.218  -3.471  -6.501
   43   HD11  LEU   7          HD11      LEU   7  -1.538  -4.056  -5.409
   44   HD12  LEU   7          HD12      LEU   7  -2.125  -2.642  -6.286
   45   HD13  LEU   7          HD13      LEU   7  -1.704  -4.112  -7.164
   46   HD21  LEU   7          HD21      LEU   7  -2.929  -5.656  -7.559
   47   HD22  LEU   7          HD22      LEU   7  -4.676  -5.443  -7.450
   48   HD23  LEU   7          HD23      LEU   7  -3.818  -6.343  -6.198
   49    HA   PRO   8           HA       PRO   8  -6.865  -7.077  -1.534
   50    HB2  PRO   8           HB2      PRO   8  -4.726  -8.986  -2.285
   51    HB3  PRO   8           HB1      PRO   8  -6.459  -9.260  -2.051
   52    HG2  PRO   8           HG2      PRO   8  -5.474  -9.218  -4.469
   53    HG3  PRO   8           HG1      PRO   8  -7.004  -8.388  -4.116
   54    HD2  PRO   8           HD2      PRO   8  -4.246  -7.207  -4.395
   55    HD3  PRO   8           HD1      PRO   8  -5.763  -6.649  -5.124
   56    H    LYS   9           HN       LYS   9  -6.085  -8.143   0.313
   57    HA   LYS   9           HA       LYS   9  -4.311  -6.556   1.816
   58    HB2  LYS   9           HB2      LYS   9  -5.114  -9.398   2.446
   59    HB3  LYS   9           HB1      LYS   9  -4.591  -8.164   3.584
   60    HG2  LYS   9           HG2      LYS   9  -6.615  -6.844   2.978
   61    HG3  LYS   9           HG1      LYS   9  -7.154  -8.218   2.009
   62    HD2  LYS   9           HD2      LYS   9  -8.248  -8.551   4.031
   63    HD3  LYS   9           HD1      LYS   9  -6.821  -9.578   4.185
   64    HE2  LYS   9           HE2      LYS   9  -7.303  -8.229   6.213
   65    HE3  LYS   9           HE1      LYS   9  -5.707  -7.931   5.526
   66    HZ1  LYS   9           HZ1      LYS   9  -7.854  -6.201   4.599
   67    HZ2  LYS   9           HZ2      LYS   9  -6.243  -5.831   4.959
   68    HZ3  LYS   9           HZ3      LYS   9  -7.373  -5.992   6.208
   69    H    SER  10           HN       SER  10  -3.735  -9.195  -0.310
   70    HA   SER  10           HA       SER  10  -1.163  -9.881   0.822
   71    HB2  SER  10           HB2      SER  10  -2.548 -11.630  -0.193
   72    HB3  SER  10           HB1      SER  10  -2.486 -10.791  -1.743
   73    HG   SER  10           HG       SER  10  -0.801 -12.575  -0.861
   74    H    GLU  11           HN       GLU  11  -2.381  -8.086  -1.981
   75    HA   GLU  11           HA       GLU  11   0.144  -7.717  -3.220
   76    HB2  GLU  11           HB2      GLU  11  -2.602  -6.921  -3.613
   77    HB3  GLU  11           HB1      GLU  11  -1.530  -5.558  -3.895
   78    HG2  GLU  11           HG2      GLU  11  -0.740  -8.100  -5.155
   79    HG3  GLU  11           HG1      GLU  11  -2.227  -7.364  -5.756
   80    H    CYS  12           HN       CYS  12  -1.758  -5.908  -0.926
   81    HA   CYS  12           HA       CYS  12   0.300  -3.840  -0.771
   82    HB2  CYS  12           HB2      CYS  12  -2.580  -4.018  -0.069
   83    HB3  CYS  12           HB1      CYS  12  -1.582  -2.896   0.865
   84    H    THR  13           HN       THR  13   1.889  -4.335   0.556
   85    HA   THR  13           HA       THR  13   1.203  -5.537   3.159
   86    HB   THR  13           HB       THR  13   3.608  -6.454   3.036
   87    HG1  THR  13           HG1      THR  13   4.688  -6.067   1.304
   88   HG21  THR  13          HG21      THR  13   1.780  -7.545   0.904
   89   HG22  THR  13          HG22      THR  13   1.526  -7.821   2.630
   90   HG23  THR  13          HG23      THR  13   2.995  -8.408   1.853
   91    H    GLN  14           HN       GLN  14   2.171  -4.684   4.989
   92    HA   GLN  14           HA       GLN  14   2.754  -2.002   5.115
   93    HB2  GLN  14           HB2      GLN  14   4.046  -4.052   6.918
   94    HB3  GLN  14           HB1      GLN  14   3.649  -2.383   7.306
   95    HG2  GLN  14           HG2      GLN  14   1.748  -4.673   6.886
   96    HG3  GLN  14           HG1      GLN  14   2.053  -3.777   8.373
   97   HE21  GLN  14          HE21      GLN  14   0.282  -3.909   5.443
   98   HE22  GLN  14          HE22      GLN  14  -0.639  -2.466   5.673
   99    H    PHE  15           HN       PHE  15   4.791  -4.647   4.228
  100    HA   PHE  15           HA       PHE  15   7.322  -3.472   4.412
  101    HB2  PHE  15           HB2      PHE  15   6.090  -5.798   3.138
  102    HB3  PHE  15           HB1      PHE  15   7.460  -5.175   2.239
  103    HD1  PHE  15           HD1      PHE  15   9.657  -4.886   3.472
  104    HD2  PHE  15           HD2      PHE  15   6.385  -7.105   5.045
  105    HE1  PHE  15           HE1      PHE  15  11.186  -6.032   5.016
  106    HE2  PHE  15           HE2      PHE  15   7.909  -8.259   6.596
  107    HZ   PHE  15           HZ       PHE  15  10.314  -7.723   6.583
  108    H    ARG  16           HN       ARG  16   4.847  -3.342   1.929
  109    HA   ARG  16           HA       ARG  16   6.357  -2.184  -0.128
  110    HB2  ARG  16           HB2      ARG  16   3.416  -1.742   0.395
  111    HB3  ARG  16           HB1      ARG  16   4.247  -1.623  -1.141
  112    HG2  ARG  16           HG2      ARG  16   3.957  -4.138   0.453
  113    HG3  ARG  16           HG1      ARG  16   2.945  -3.680  -0.914
  114    HD2  ARG  16           HD2      ARG  16   4.727  -3.872  -2.433
  115    HD3  ARG  16           HD1      ARG  16   5.932  -3.863  -1.147
  116    HE   ARG  16           HE       ARG  16   4.338  -6.095  -0.743
  117   HH11  ARG  16          HH11      ARG  16   6.524  -4.892  -3.183
  118   HH12  ARG  16          HH12      ARG  16   7.004  -6.470  -3.709
  119   HH21  ARG  16          HH21      ARG  16   4.969  -8.172  -1.433
  120   HH22  ARG  16          HH22      ARG  16   6.121  -8.332  -2.716
  121    H    CYS  17           HN       CYS  17   4.448  -0.657   2.455
  122    HA   CYS  17           HA       CYS  17   4.994   1.986   1.552
  123    HB2  CYS  17           HB2      CYS  17   3.852   0.818   4.050
  124    HB3  CYS  17           HB1      CYS  17   4.338   2.507   4.025
  125    H    ARG  18           HN       ARG  18   6.750  -0.294   3.403
  126    HA   ARG  18           HA       ARG  18   8.399   1.452   4.889
  127    HB2  ARG  18           HB2      ARG  18   8.129  -1.317   4.590
  128    HB3  ARG  18           HB1      ARG  18   9.783  -0.951   4.067
  129    HG2  ARG  18           HG2      ARG  18  10.443  -0.698   6.171
  130    HG3  ARG  18           HG1      ARG  18   9.148   0.453   6.508
  131    HD2  ARG  18           HD2      ARG  18   8.630  -2.500   6.422
  132    HD3  ARG  18           HD1      ARG  18   9.244  -1.722   7.880
  133    HE   ARG  18           HE       ARG  18   6.901  -0.462   6.791
  134   HH11  ARG  18          HH11      ARG  18   8.078  -2.984   8.896
  135   HH12  ARG  18          HH12      ARG  18   6.625  -3.050   9.835
  136   HH21  ARG  18          HH21      ARG  18   4.989  -0.548   8.025
  137   HH22  ARG  18          HH22      ARG  18   4.871  -1.668   9.340
  138    H    THR  19           HN       THR  19   8.896  -0.282   1.917
  139    HA   THR  19           HA       THR  19  11.216   1.407   1.336
  140    HB   THR  19           HB       THR  19  11.829  -0.804   1.799
  141    HG1  THR  19           HG1      THR  19  12.646   0.152  -0.251
  142   HG21  THR  19          HG21      THR  19  10.905  -2.746   0.600
  143   HG22  THR  19          HG22      THR  19   9.661  -1.688  -0.071
  144   HG23  THR  19          HG23      THR  19   9.765  -1.931   1.677
  145    H    SER  20           HN       SER  20   8.243   0.102  -0.013
  146    HA   SER  20           HA       SER  20   8.830   1.267  -2.627
  147    HB2  SER  20           HB2      SER  20   6.997  -0.795  -1.606
  148    HB3  SER  20           HB1      SER  20   6.297   0.251  -2.841
  149    HG   SER  20           HG       SER  20   7.856  -0.372  -4.259
  150    H    MET  21           HN       MET  21   8.425   3.363  -2.867
  151    HA   MET  21           HA       MET  21   6.487   4.748  -1.255
  152    HB2  MET  21           HB2      MET  21   8.626   5.458  -3.134
  153    HB3  MET  21           HB1      MET  21   7.236   6.532  -3.199
  154    HG2  MET  21           HG2      MET  21   8.289   7.613  -1.555
  155    HG3  MET  21           HG1      MET  21   7.604   6.353  -0.530
  156    HE1  MET  21           HE1      MET  21  10.693   7.925  -2.115
  157    HE2  MET  21           HE2      MET  21  10.691   6.457  -3.092
  158    HE3  MET  21           HE3      MET  21  11.970   6.726  -1.908
  159    H    LYS  22           HN       LYS  22   6.296   3.027  -4.170
  160    HA   LYS  22           HA       LYS  22   4.222   4.653  -5.352
  161    HB2  LYS  22           HB2      LYS  22   6.005   2.997  -6.452
  162    HB3  LYS  22           HB1      LYS  22   4.677   1.860  -6.259
  163    HG2  LYS  22           HG2      LYS  22   3.650   4.269  -7.374
  164    HG3  LYS  22           HG1      LYS  22   5.072   3.776  -8.296
  165    HD2  LYS  22           HD2      LYS  22   3.040   1.715  -7.586
  166    HD3  LYS  22           HD1      LYS  22   2.674   2.854  -8.885
  167    HE2  LYS  22           HE2      LYS  22   3.740   1.358 -10.180
  168    HE3  LYS  22           HE1      LYS  22   5.197   2.119  -9.542
  169    HZ1  LYS  22           HZ1      LYS  22   5.015  -0.411  -9.434
  170    HZ2  LYS  22           HZ2      LYS  22   3.939  -0.163  -8.153
  171    HZ3  LYS  22           HZ3      LYS  22   5.531   0.398  -8.040
  172    H    TYR  23           HN       TYR  23   4.380   1.407  -3.916
  173    HA   TYR  23           HA       TYR  23   1.702   0.723  -4.126
  174    HB2  TYR  23           HB2      TYR  23   3.864  -0.045  -2.199
  175    HB3  TYR  23           HB1      TYR  23   2.228  -0.666  -1.999
  176    HD1  TYR  23           HD2      TYR  23   4.250  -0.086  -5.073
  177    HD2  TYR  23           HD1      TYR  23   2.292  -2.899  -2.564
  178    HE1  TYR  23           HE2      TYR  23   4.742  -1.868  -6.699
  179    HE2  TYR  23           HE1      TYR  23   2.777  -4.689  -4.169
  180    HH   TYR  23           HH       TYR  23   4.301  -5.191  -5.969
  181    H    ARG  24           HN       ARG  24   3.241   2.898  -1.930
  182    HA   ARG  24           HA       ARG  24   1.231   2.854   0.091
  183    HB2  ARG  24           HB2      ARG  24   2.791   5.334  -0.181
  184    HB3  ARG  24           HB1      ARG  24   2.547   4.310   1.221
  185    HG2  ARG  24           HG2      ARG  24   4.178   2.699   0.137
  186    HG3  ARG  24           HG1      ARG  24   4.555   4.006  -0.985
  187    HD2  ARG  24           HD2      ARG  24   5.176   5.444   0.881
  188    HD3  ARG  24           HD1      ARG  24   4.781   4.157   2.019
  189    HE   ARG  24           HE       ARG  24   6.602   2.927   0.558
  190   HH11  ARG  24          HH11      ARG  24   6.620   6.187   1.830
  191   HH12  ARG  24          HH12      ARG  24   8.346   6.271   1.924
  192   HH21  ARG  24          HH21      ARG  24   8.871   3.046   0.695
  193   HH22  ARG  24          HH22      ARG  24   9.623   4.490   1.283
  194    H    LEU  25           HN       LEU  25   2.052   5.431  -2.217
  195    HA   LEU  25           HA       LEU  25  -0.586   6.602  -1.805
  196    HB2  LEU  25           HB2      LEU  25   1.639   7.660  -3.527
  197    HB3  LEU  25           HB1      LEU  25   0.287   8.550  -2.844
  198    HG   LEU  25           HG       LEU  25   1.955   9.226  -1.431
  199   HD11  LEU  25          HD11      LEU  25   0.150   7.602  -0.278
  200   HD12  LEU  25          HD12      LEU  25   1.397   8.466   0.619
  201   HD13  LEU  25          HD13      LEU  25   1.640   6.775   0.183
  202   HD21  LEU  25          HD21      LEU  25   3.973   8.360  -1.714
  203   HD22  LEU  25          HD22      LEU  25   3.294   6.899  -2.426
  204   HD23  LEU  25          HD23      LEU  25   3.502   7.012  -0.679
  205    H    ASN  26           HN       ASN  26   1.354   5.220  -4.389
  206    HA   ASN  26           HA       ASN  26  -0.458   5.859  -6.473
  207    HB2  ASN  26           HB2      ASN  26   2.079   5.199  -6.484
  208    HB3  ASN  26           HB1      ASN  26   1.440   3.567  -6.686
  209   HD21  ASN  26          HD21      ASN  26   2.216   6.479  -8.206
  210   HD22  ASN  26          HD22      ASN  26   1.569   6.125  -9.768
  211    H    LEU  27           HN       LEU  27  -0.052   2.959  -4.462
  212    HA   LEU  27           HA       LEU  27  -2.284   1.720  -5.906
  213    HB2  LEU  27           HB2      LEU  27  -0.124   0.658  -4.145
  214    HB3  LEU  27           HB1      LEU  27  -1.633  -0.226  -4.243
  215    HG   LEU  27           HG       LEU  27  -1.357  -0.352  -6.709
  216   HD11  LEU  27          HD11      LEU  27   1.122   0.009  -7.404
  217   HD12  LEU  27          HD12      LEU  27   1.146   1.124  -6.038
  218   HD13  LEU  27          HD13      LEU  27   0.010   1.377  -7.363
  219   HD21  LEU  27          HD21      LEU  27   1.030  -1.491  -5.281
  220   HD22  LEU  27          HD22      LEU  27   0.145  -2.167  -6.649
  221   HD23  LEU  27          HD23      LEU  27  -0.605  -2.113  -5.054
  222    H    CYS  28           HN       CYS  28  -1.979   0.545  -2.708
  223    HA   CYS  28           HA       CYS  28  -4.541   1.745  -2.025
  224    HB2  CYS  28           HB2      CYS  28  -4.461   0.185  -0.137
  225    HB3  CYS  28           HB1      CYS  28  -4.151  -0.653  -1.661
  226    H    LYS  29           HN       LYS  29  -4.887   2.970  -0.202
  227    HA   LYS  29           HA       LYS  29  -2.648   4.556   0.672
  228    HB2  LYS  29           HB2      LYS  29  -5.596   4.702   1.286
  229    HB3  LYS  29           HB1      LYS  29  -4.404   5.830   1.923
  230    HG2  LYS  29           HG2      LYS  29  -4.282   5.497  -0.978
  231    HG3  LYS  29           HG1      LYS  29  -5.816   6.150  -0.392
  232    HD2  LYS  29           HD2      LYS  29  -4.025   7.594   1.062
  233    HD3  LYS  29           HD1      LYS  29  -3.141   7.363  -0.447
  234    HE2  LYS  29           HE2      LYS  29  -5.987   8.325  -0.388
  235    HE3  LYS  29           HE1      LYS  29  -4.621   9.433  -0.263
  236    HZ1  LYS  29           HZ1      LYS  29  -4.866   9.443  -2.494
  237    HZ2  LYS  29           HZ2      LYS  29  -5.571   7.907  -2.554
  238    HZ3  LYS  29           HZ3      LYS  29  -3.895   8.060  -2.398
  239    H    LYS  30           HN       LYS  30  -5.193   2.703   2.309
  240    HA   LYS  30           HA       LYS  30  -3.740   2.733   4.784
  241    HB2  LYS  30           HB2      LYS  30  -6.125   2.927   4.859
  242    HB3  LYS  30           HB1      LYS  30  -6.325   1.416   3.983
  243    HG2  LYS  30           HG2      LYS  30  -6.730   0.784   6.161
  244    HG3  LYS  30           HG1      LYS  30  -5.021   0.384   5.959
  245    HD2  LYS  30           HD2      LYS  30  -4.318   2.069   7.317
  246    HD3  LYS  30           HD1      LYS  30  -5.699   3.099   6.936
  247    HE2  LYS  30           HE2      LYS  30  -7.114   1.924   8.407
  248    HE3  LYS  30           HE1      LYS  30  -5.987   0.575   8.540
  249    HZ1  LYS  30           HZ1      LYS  30  -4.494   2.602   9.441
  250    HZ2  LYS  30           HZ2      LYS  30  -5.415   1.593  10.438
  251    HZ3  LYS  30           HZ3      LYS  30  -6.027   3.096   9.961
  252    H    THR  31           HN       THR  31  -4.928   0.040   2.729
  253    HA   THR  31           HA       THR  31  -3.926  -2.030   4.185
  254    HB   THR  31           HB       THR  31  -3.986  -1.898   1.174
  255    HG1  THR  31           HG1      THR  31  -5.927  -2.704   3.080
  256   HG21  THR  31          HG21      THR  31  -2.727  -3.826   2.199
  257   HG22  THR  31          HG22      THR  31  -4.088  -4.243   1.155
  258   HG23  THR  31          HG23      THR  31  -4.262  -4.324   2.906
  259    H    CYS  32           HN       CYS  32  -2.070   0.094   2.141
  260    HA   CYS  32           HA       CYS  32   0.258  -1.604   2.122
  261    HB2  CYS  32           HB2      CYS  32   0.122  -0.068   0.315
  262    HB3  CYS  32           HB1      CYS  32  -0.133   1.301   1.393
  263    H    GLY  33           HN       GLY  33  -1.163   0.421   4.398
  264    HA2  GLY  33           HA2      GLY  33  -0.524   0.656   6.629
  265    HA3  GLY  33           HA1      GLY  33   1.058   0.014   6.218
  266    H    THR  34           HN       THR  34  -0.820   2.862   5.144
  267    HA   THR  34           HA       THR  34   1.326   4.568   6.164
  268    HB   THR  34           HB       THR  34   2.033   4.415   3.938
  269    HG1  THR  34           HG1      THR  34   1.707   6.596   4.687
  270   HG21  THR  34          HG21      THR  34   0.751   4.435   2.001
  271   HG22  THR  34          HG22      THR  34  -0.679   5.020   2.851
  272   HG23  THR  34          HG23      THR  34  -0.116   3.367   3.103
  273    H    CYS  35           HN       CYS  35  -1.976   4.278   4.967
  274    HA   CYS  35           HA       CYS  35  -2.879   6.866   5.224
  275    HB2  CYS  35           HB2      CYS  35  -4.314   5.073   4.389
  276    HB3  CYS  35           HB1      CYS  35  -4.370   4.345   5.992
  Start of MODEL    8
    1    H1   ALA   2           HT1      ALA   2 -10.530   8.809   3.053
    2    H2   ALA   2           HT2      ALA   2 -11.370   8.000   1.794
    3    H3   ALA   2           HT3      ALA   2 -11.172   9.704   1.739
    4    HA   ALA   2           HA       ALA   2  -9.706   8.280   0.299
    5    HB1  ALA   2           HB1      ALA   2  -8.659  10.410   2.153
    6    HB2  ALA   2           HB2      ALA   2  -9.314  10.618   0.529
    7    HB3  ALA   2           HB3      ALA   2  -7.769   9.799   0.759
    8    H    CYS   3           HN       CYS   3 -10.173   6.499   2.480
    9    HA   CYS   3           HA       CYS   3  -7.408   5.637   2.986
   10    HB2  CYS   3           HB2      CYS   3  -8.738   6.665   4.997
   11    HB3  CYS   3           HB1      CYS   3  -9.552   5.104   5.012
   12    H    LYS   4           HN       LYS   4  -8.198   4.509   0.904
   13    HA   LYS   4           HA       LYS   4  -9.392   1.928   1.676
   14    HB2  LYS   4           HB2      LYS   4  -9.722   3.359  -0.968
   15    HB3  LYS   4           HB1      LYS   4 -10.375   1.775  -0.571
   16    HG2  LYS   4           HG2      LYS   4 -11.116   3.971   1.249
   17    HG3  LYS   4           HG1      LYS   4 -11.774   4.054  -0.386
   18    HD2  LYS   4           HD2      LYS   4 -12.456   1.609  -0.030
   19    HD3  LYS   4           HD1      LYS   4 -12.142   1.906   1.681
   20    HE2  LYS   4           HE2      LYS   4 -14.184   3.203  -0.101
   21    HE3  LYS   4           HE1      LYS   4 -14.447   2.291   1.385
   22    HZ1  LYS   4           HZ1      LYS   4 -13.144   4.954   1.187
   23    HZ2  LYS   4           HZ2      LYS   4 -13.366   4.078   2.616
   24    HZ3  LYS   4           HZ3      LYS   4 -14.707   4.654   1.762
   25    H    ASP   5           HN       ASP   5  -8.899   0.272  -0.211
   26    HA   ASP   5           HA       ASP   5  -6.053   0.540  -0.849
   27    HB2  ASP   5           HB2      ASP   5  -5.814  -1.880  -0.503
   28    HB3  ASP   5           HB1      ASP   5  -6.376  -1.069   0.955
   29    H    TYR   6           HN       TYR   6  -5.510   0.346  -2.878
   30    HA   TYR   6           HA       TYR   6  -7.477  -0.165  -4.895
   31    HB2  TYR   6           HB2      TYR   6  -5.067   1.215  -4.783
   32    HB3  TYR   6           HB1      TYR   6  -4.714  -0.155  -5.831
   33    HD1  TYR   6           HD1      TYR   6  -6.959   2.756  -5.379
   34    HD2  TYR   6           HD2      TYR   6  -5.526  -0.227  -8.053
   35    HE1  TYR   6           HE1      TYR   6  -8.042   3.924  -7.252
   36    HE2  TYR   6           HE2      TYR   6  -6.604   0.934  -9.934
   37    HH   TYR   6           HH       TYR   6  -7.543   3.982  -9.921
   38    H    LEU   7           HN       LEU   7  -5.583  -2.202  -3.024
   39    HA   LEU   7           HA       LEU   7  -6.074  -4.413  -4.863
   40    HB2  LEU   7           HB2      LEU   7  -3.392  -3.509  -3.927
   41    HB3  LEU   7           HB1      LEU   7  -3.667  -5.208  -4.125
   42    HG   LEU   7           HG       LEU   7  -4.416  -3.441  -6.382
   43   HD11  LEU   7          HD11      LEU   7  -2.354  -2.479  -6.167
   44   HD12  LEU   7          HD12      LEU   7  -1.944  -3.894  -7.137
   45   HD13  LEU   7          HD13      LEU   7  -1.652  -3.902  -5.398
   46   HD21  LEU   7          HD21      LEU   7  -3.059  -5.600  -7.354
   47   HD22  LEU   7          HD22      LEU   7  -4.807  -5.503  -7.147
   48   HD23  LEU   7          HD23      LEU   7  -3.813  -6.256  -5.904
   49    HA   PRO   8           HA       PRO   8  -6.771  -6.632  -1.115
   50    HB2  PRO   8           HB2      PRO   8  -6.025  -9.130  -1.595
   51    HB3  PRO   8           HB1      PRO   8  -7.306  -8.369  -2.549
   52    HG2  PRO   8           HG2      PRO   8  -4.451  -8.835  -3.226
   53    HG3  PRO   8           HG1      PRO   8  -5.888  -8.990  -4.249
   54    HD2  PRO   8           HD2      PRO   8  -4.171  -6.808  -4.185
   55    HD3  PRO   8           HD1      PRO   8  -5.798  -6.766  -4.854
   56    H    LYS   9           HN       LYS   9  -5.886  -7.933   0.612
   57    HA   LYS   9           HA       LYS   9  -3.654  -6.802   1.781
   58    HB2  LYS   9           HB2      LYS   9  -4.696  -9.574   2.367
   59    HB3  LYS   9           HB1      LYS   9  -3.792  -8.531   3.457
   60    HG2  LYS   9           HG2      LYS   9  -6.225  -7.291   2.443
   61    HG3  LYS   9           HG1      LYS   9  -6.520  -8.775   3.352
   62    HD2  LYS   9           HD2      LYS   9  -4.698  -7.547   4.942
   63    HD3  LYS   9           HD1      LYS   9  -5.541  -6.154   4.264
   64    HE2  LYS   9           HE2      LYS   9  -7.643  -7.710   4.885
   65    HE3  LYS   9           HE1      LYS   9  -6.501  -8.243   6.118
   66    HZ1  LYS   9           HZ1      LYS   9  -7.342  -6.487   7.217
   67    HZ2  LYS   9           HZ2      LYS   9  -7.843  -5.685   5.815
   68    HZ3  LYS   9           HZ3      LYS   9  -6.225  -5.607   6.301
   69    H    SER  10           HN       SER  10  -3.775  -9.342  -0.555
   70    HA   SER  10           HA       SER  10  -1.197 -10.437   0.071
   71    HB2  SER  10           HB2      SER  10  -3.317 -11.424  -1.264
   72    HB3  SER  10           HB1      SER  10  -2.343 -10.873  -2.627
   73    HG   SER  10           HG       SER  10  -0.604 -12.112  -1.740
   74    H    GLU  11           HN       GLU  11  -2.311  -7.750  -1.799
   75    HA   GLU  11           HA       GLU  11   0.191  -7.633  -3.320
   76    HB2  GLU  11           HB2      GLU  11  -2.531  -6.676  -3.645
   77    HB3  GLU  11           HB1      GLU  11  -1.356  -5.416  -3.967
   78    HG2  GLU  11           HG2      GLU  11  -0.669  -7.935  -5.240
   79    HG3  GLU  11           HG1      GLU  11  -2.259  -7.341  -5.727
   80    H    CYS  12           HN       CYS  12  -1.687  -5.865  -0.957
   81    HA   CYS  12           HA       CYS  12   0.398  -3.836  -0.757
   82    HB2  CYS  12           HB2      CYS  12  -2.471  -4.015  -0.060
   83    HB3  CYS  12           HB1      CYS  12  -1.476  -2.972   0.964
   84    H    THR  13           HN       THR  13   2.009  -4.355   0.521
   85    HA   THR  13           HA       THR  13   1.397  -5.661   3.092
   86    HB   THR  13           HB       THR  13   3.832  -6.478   2.910
   87    HG1  THR  13           HG1      THR  13   4.879  -6.042   1.166
   88   HG21  THR  13          HG21      THR  13   3.282  -8.417   1.716
   89   HG22  THR  13          HG22      THR  13   2.093  -7.575   0.718
   90   HG23  THR  13          HG23      THR  13   1.759  -7.880   2.425
   91    H    GLN  14           HN       GLN  14   2.377  -4.847   4.941
   92    HA   GLN  14           HA       GLN  14   2.872  -2.147   5.146
   93    HB2  GLN  14           HB2      GLN  14   4.224  -4.233   6.865
   94    HB3  GLN  14           HB1      GLN  14   3.822  -2.580   7.313
   95    HG2  GLN  14           HG2      GLN  14   1.935  -4.873   6.852
   96    HG3  GLN  14           HG1      GLN  14   2.243  -4.007   8.356
   97   HE21  GLN  14          HE21      GLN  14   0.413  -4.123   5.473
   98   HE22  GLN  14          HE22      GLN  14  -0.508  -2.685   5.730
   99    H    PHE  15           HN       PHE  15   4.958  -4.690   4.105
  100    HA   PHE  15           HA       PHE  15   7.455  -3.429   4.300
  101    HB2  PHE  15           HB2      PHE  15   6.295  -5.766   2.975
  102    HB3  PHE  15           HB1      PHE  15   7.626  -5.060   2.078
  103    HD1  PHE  15           HD1      PHE  15   9.856  -4.864   3.148
  104    HD2  PHE  15           HD2      PHE  15   6.644  -6.973   4.977
  105    HE1  PHE  15           HE1      PHE  15  11.454  -5.995   4.633
  106    HE2  PHE  15           HE2      PHE  15   8.237  -8.111   6.469
  107    HZ   PHE  15           HZ       PHE  15  10.646  -7.622   6.299
  108    H    ARG  16           HN       ARG  16   4.965  -3.404   1.803
  109    HA   ARG  16           HA       ARG  16   6.343  -2.116  -0.235
  110    HB2  ARG  16           HB2      ARG  16   3.418  -1.836   0.473
  111    HB3  ARG  16           HB1      ARG  16   4.138  -1.440  -1.073
  112    HG2  ARG  16           HG2      ARG  16   4.202  -4.177   0.129
  113    HG3  ARG  16           HG1      ARG  16   2.952  -3.622  -0.982
  114    HD2  ARG  16           HD2      ARG  16   4.323  -4.473  -2.554
  115    HD3  ARG  16           HD1      ARG  16   5.182  -2.946  -2.353
  116    HE   ARG  16           HE       ARG  16   6.907  -4.078  -1.346
  117   HH11  ARG  16          HH11      ARG  16   4.134  -6.186  -1.585
  118   HH12  ARG  16          HH12      ARG  16   5.011  -7.599  -1.103
  119   HH21  ARG  16          HH21      ARG  16   8.060  -5.936  -0.713
  120   HH22  ARG  16          HH22      ARG  16   7.239  -7.458  -0.607
  121    H    CYS  17           HN       CYS  17   4.470  -0.660   2.425
  122    HA   CYS  17           HA       CYS  17   4.987   2.001   1.585
  123    HB2  CYS  17           HB2      CYS  17   3.956   0.772   4.108
  124    HB3  CYS  17           HB1      CYS  17   4.409   2.471   4.082
  125    H    ARG  18           HN       ARG  18   6.798  -0.311   3.353
  126    HA   ARG  18           HA       ARG  18   8.504   1.402   4.802
  127    HB2  ARG  18           HB2      ARG  18   8.232  -1.359   4.442
  128    HB3  ARG  18           HB1      ARG  18   9.864  -0.972   3.869
  129    HG2  ARG  18           HG2      ARG  18   9.551   0.419   6.285
  130    HG3  ARG  18           HG1      ARG  18   8.850  -1.176   6.564
  131    HD2  ARG  18           HD2      ARG  18  11.444  -1.069   5.137
  132    HD3  ARG  18           HD1      ARG  18  11.455  -0.666   6.854
  133    HE   ARG  18           HE       ARG  18  11.135  -3.254   5.704
  134   HH11  ARG  18          HH11      ARG  18  10.214  -1.273   8.426
  135   HH12  ARG  18          HH12      ARG  18   9.955  -2.622   9.480
  136   HH21  ARG  18          HH21      ARG  18  10.794  -5.030   7.089
  137   HH22  ARG  18          HH22      ARG  18  10.285  -4.755   8.722
  138    H    THR  19           HN       THR  19   8.897  -0.249   1.767
  139    HA   THR  19           HA       THR  19  11.190   1.466   1.151
  140    HB   THR  19           HB       THR  19  11.820  -0.759   1.535
  141    HG1  THR  19           HG1      THR  19  12.560   0.270  -0.519
  142   HG21  THR  19          HG21      THR  19   9.739  -1.875   1.430
  143   HG22  THR  19          HG22      THR  19  10.868  -2.669   0.322
  144   HG23  THR  19          HG23      THR  19   9.613  -1.600  -0.310
  145    H    SER  20           HN       SER  20   8.180   0.180  -0.137
  146    HA   SER  20           HA       SER  20   8.676   1.447  -2.726
  147    HB2  SER  20           HB2      SER  20   6.848  -0.662  -1.728
  148    HB3  SER  20           HB1      SER  20   6.223   0.366  -3.018
  149    HG   SER  20           HG       SER  20   7.320  -0.929  -4.259
  150    H    MET  21           HN       MET  21   8.124   3.503  -2.975
  151    HA   MET  21           HA       MET  21   6.251   4.798  -1.219
  152    HB2  MET  21           HB2      MET  21   8.119   5.632  -3.366
  153    HB3  MET  21           HB1      MET  21   6.738   6.679  -3.071
  154    HG2  MET  21           HG2      MET  21   8.189   7.624  -1.626
  155    HG3  MET  21           HG1      MET  21   7.537   6.381  -0.560
  156    HE1  MET  21           HE1      MET  21   9.846   7.952  -0.041
  157    HE2  MET  21           HE2      MET  21  11.459   7.291  -0.309
  158    HE3  MET  21           HE3      MET  21  10.424   6.608   0.945
  159    H    LYS  22           HN       LYS  22   6.159   3.461  -4.433
  160    HA   LYS  22           HA       LYS  22   3.884   4.844  -5.381
  161    HB2  LYS  22           HB2      LYS  22   5.670   3.318  -6.591
  162    HB3  LYS  22           HB1      LYS  22   4.475   2.064  -6.291
  163    HG2  LYS  22           HG2      LYS  22   2.884   3.945  -7.341
  164    HG3  LYS  22           HG1      LYS  22   4.399   4.354  -8.146
  165    HD2  LYS  22           HD2      LYS  22   4.565   2.232  -9.144
  166    HD3  LYS  22           HD1      LYS  22   3.355   1.538  -8.063
  167    HE2  LYS  22           HE2      LYS  22   2.448   1.894 -10.305
  168    HE3  LYS  22           HE1      LYS  22   1.623   2.894  -9.110
  169    HZ1  LYS  22           HZ1      LYS  22   3.905   4.063 -10.514
  170    HZ2  LYS  22           HZ2      LYS  22   2.481   4.795  -9.971
  171    HZ3  LYS  22           HZ3      LYS  22   2.468   3.871 -11.386
  172    H    TYR  23           HN       TYR  23   4.211   1.633  -3.893
  173    HA   TYR  23           HA       TYR  23   1.537   0.858  -4.054
  174    HB2  TYR  23           HB2      TYR  23   3.789   0.114  -2.222
  175    HB3  TYR  23           HB1      TYR  23   2.180  -0.558  -1.981
  176    HD1  TYR  23           HD2      TYR  23   4.077   0.145  -5.109
  177    HD2  TYR  23           HD1      TYR  23   2.289  -2.773  -2.593
  178    HE1  TYR  23           HE2      TYR  23   4.563  -1.591  -6.788
  179    HE2  TYR  23           HE1      TYR  23   2.770  -4.517  -4.248
  180    HH   TYR  23           HH       TYR  23   3.802  -3.791  -7.436
  181    H    ARG  24           HN       ARG  24   3.115   2.986  -1.824
  182    HA   ARG  24           HA       ARG  24   1.179   2.837   0.251
  183    HB2  ARG  24           HB2      ARG  24   2.682   5.358  -0.004
  184    HB3  ARG  24           HB1      ARG  24   2.487   4.301   1.382
  185    HG2  ARG  24           HG2      ARG  24   4.103   2.732   0.218
  186    HG3  ARG  24           HG1      ARG  24   4.436   4.068  -0.882
  187    HD2  ARG  24           HD2      ARG  24   5.085   5.469   1.010
  188    HD3  ARG  24           HD1      ARG  24   4.756   4.136   2.115
  189    HE   ARG  24           HE       ARG  24   6.544   2.984   0.568
  190   HH11  ARG  24          HH11      ARG  24   6.555   6.229   1.877
  191   HH12  ARG  24          HH12      ARG  24   8.282   6.348   1.890
  192   HH21  ARG  24          HH21      ARG  24   8.814   3.148   0.599
  193   HH22  ARG  24          HH22      ARG  24   9.563   4.603   1.167
  194    H    LEU  25           HN       LEU  25   1.824   5.515  -2.005
  195    HA   LEU  25           HA       LEU  25  -0.811   6.603  -1.412
  196    HB2  LEU  25           HB2      LEU  25   1.281   7.777  -3.219
  197    HB3  LEU  25           HB1      LEU  25  -0.045   8.606  -2.422
  198    HG   LEU  25           HG       LEU  25   1.696   9.272  -1.093
  199   HD11  LEU  25          HD11      LEU  25   0.003   7.533   0.099
  200   HD12  LEU  25          HD12      LEU  25   1.242   8.452   0.950
  201   HD13  LEU  25          HD13      LEU  25   1.557   6.785   0.473
  202   HD21  LEU  25          HD21      LEU  25   3.323   7.055  -0.520
  203   HD22  LEU  25          HD22      LEU  25   3.712   8.459  -1.512
  204   HD23  LEU  25          HD23      LEU  25   3.020   7.020  -2.257
  205    H    ASN  26           HN       ASN  26   1.003   5.395  -4.182
  206    HA   ASN  26           HA       ASN  26  -0.970   6.071  -6.099
  207    HB2  ASN  26           HB2      ASN  26   1.589   5.482  -6.299
  208    HB3  ASN  26           HB1      ASN  26   0.960   3.861  -6.598
  209   HD21  ASN  26          HD21      ASN  26   0.999   7.169  -7.724
  210   HD22  ASN  26          HD22      ASN  26   0.493   6.830  -9.341
  211    H    LEU  27           HN       LEU  27  -0.338   3.076  -4.291
  212    HA   LEU  27           HA       LEU  27  -2.588   1.825  -5.685
  213    HB2  LEU  27           HB2      LEU  27  -0.327   0.783  -4.047
  214    HB3  LEU  27           HB1      LEU  27  -1.806  -0.153  -4.113
  215    HG   LEU  27           HG       LEU  27  -1.625  -0.163  -6.603
  216   HD11  LEU  27          HD11      LEU  27   1.107   0.984  -6.055
  217   HD12  LEU  27          HD12      LEU  27  -0.225   1.818  -6.856
  218   HD13  LEU  27          HD13      LEU  27   0.515   0.407  -7.613
  219   HD21  LEU  27          HD21      LEU  27  -0.124  -1.964  -6.663
  220   HD22  LEU  27          HD22      LEU  27  -0.774  -1.968  -5.024
  221   HD23  LEU  27          HD23      LEU  27   0.837  -1.319  -5.332
  222    H    CYS  28           HN       CYS  28  -2.076   0.607  -2.507
  223    HA   CYS  28           HA       CYS  28  -4.677   1.665  -1.706
  224    HB2  CYS  28           HB2      CYS  28  -4.525   0.015   0.075
  225    HB3  CYS  28           HB1      CYS  28  -4.134  -0.747  -1.470
  226    H    LYS  29           HN       LYS  29  -4.990   2.816   0.193
  227    HA   LYS  29           HA       LYS  29  -2.756   4.435   1.027
  228    HB2  LYS  29           HB2      LYS  29  -5.659   4.471   1.859
  229    HB3  LYS  29           HB1      LYS  29  -4.450   5.638   2.382
  230    HG2  LYS  29           HG2      LYS  29  -4.421   5.442  -0.474
  231    HG3  LYS  29           HG1      LYS  29  -6.069   5.732   0.089
  232    HD2  LYS  29           HD2      LYS  29  -5.091   7.865  -0.240
  233    HD3  LYS  29           HD1      LYS  29  -5.129   7.600   1.504
  234    HE2  LYS  29           HE2      LYS  29  -2.681   6.601   0.327
  235    HE3  LYS  29           HE1      LYS  29  -2.922   8.309  -0.035
  236    HZ1  LYS  29           HZ1      LYS  29  -2.552   6.995   2.562
  237    HZ2  LYS  29           HZ2      LYS  29  -3.466   8.417   2.495
  238    HZ3  LYS  29           HZ3      LYS  29  -1.859   8.420   1.969
  239    H    LYS  30           HN       LYS  30  -5.183   2.482   2.725
  240    HA   LYS  30           HA       LYS  30  -3.597   2.453   5.119
  241    HB2  LYS  30           HB2      LYS  30  -5.975   2.637   5.333
  242    HB3  LYS  30           HB1      LYS  30  -6.220   1.152   4.422
  243    HG2  LYS  30           HG2      LYS  30  -6.520   0.505   6.631
  244    HG3  LYS  30           HG1      LYS  30  -4.860   0.023   6.270
  245    HD2  LYS  30           HD2      LYS  30  -4.072   1.320   7.886
  246    HD3  LYS  30           HD1      LYS  30  -4.909   2.726   7.227
  247    HE2  LYS  30           HE2      LYS  30  -6.554   0.757   8.705
  248    HE3  LYS  30           HE1      LYS  30  -5.425   1.722   9.655
  249    HZ1  LYS  30           HZ1      LYS  30  -7.155   3.145   9.668
  250    HZ2  LYS  30           HZ2      LYS  30  -7.830   2.540   8.240
  251    HZ3  LYS  30           HZ3      LYS  30  -6.528   3.617   8.168
  252    H    THR  31           HN       THR  31  -4.837  -0.161   2.999
  253    HA   THR  31           HA       THR  31  -3.787  -2.292   4.329
  254    HB   THR  31           HB       THR  31  -3.920  -2.004   1.331
  255    HG1  THR  31           HG1      THR  31  -5.963  -3.029   1.661
  256   HG21  THR  31          HG21      THR  31  -2.620  -3.971   2.261
  257   HG22  THR  31          HG22      THR  31  -3.963  -4.331   1.171
  258   HG23  THR  31          HG23      THR  31  -4.160  -4.530   2.911
  259    H    CYS  32           HN       CYS  32  -2.007  -0.030   2.382
  260    HA   CYS  32           HA       CYS  32   0.347  -1.697   2.227
  261    HB2  CYS  32           HB2      CYS  32   0.132  -0.130   0.460
  262    HB3  CYS  32           HB1      CYS  32  -0.128   1.211   1.570
  263    H    GLY  33           HN       GLY  33  -1.043   0.247   4.591
  264    HA2  GLY  33           HA2      GLY  33  -0.328   0.402   6.814
  265    HA3  GLY  33           HA1      GLY  33   1.266  -0.138   6.315
  266    H    THR  34           HN       THR  34  -0.732   2.634   5.272
  267    HA   THR  34           HA       THR  34   1.305   4.423   6.382
  268    HB   THR  34           HB       THR  34   2.021   4.308   4.134
  269    HG1  THR  34           HG1      THR  34   1.950   6.383   3.691
  270   HG21  THR  34          HG21      THR  34   0.700   4.507   2.199
  271   HG22  THR  34          HG22      THR  34  -0.734   4.920   3.138
  272   HG23  THR  34          HG23      THR  34  -0.068   3.287   3.214
  273    H    CYS  35           HN       CYS  35  -1.959   4.006   5.120
  274    HA   CYS  35           HA       CYS  35  -2.870   6.623   5.689
  275    HB2  CYS  35           HB2      CYS  35  -4.032   4.947   4.212
  276    HB3  CYS  35           HB1      CYS  35  -4.563   4.121   5.673
  Start of MODEL    9
    1    H1   ALA   2           HT1      ALA   2 -10.928   9.084   3.695
    2    H2   ALA   2           HT2      ALA   2 -12.111   7.948   4.200
    3    H3   ALA   2           HT3      ALA   2 -12.593   9.452   3.527
    4    HA   ALA   2           HA       ALA   2 -12.710   7.411   2.093
    5    HB1  ALA   2           HB1      ALA   2 -12.503  10.044   1.552
    6    HB2  ALA   2           HB2      ALA   2 -12.697   8.799   0.318
    7    HB3  ALA   2           HB3      ALA   2 -11.092   9.431   0.688
    8    H    CYS   3           HN       CYS   3 -10.664   6.536   3.753
    9    HA   CYS   3           HA       CYS   3  -8.336   6.191   2.012
   10    HB2  CYS   3           HB2      CYS   3  -8.515   6.646   4.716
   11    HB3  CYS   3           HB1      CYS   3  -8.263   4.905   4.650
   12    H    LYS   4           HN       LYS   4  -8.350   4.509   0.690
   13    HA   LYS   4           HA       LYS   4  -9.344   1.933   1.686
   14    HB2  LYS   4           HB2      LYS   4 -10.239   3.427  -0.726
   15    HB3  LYS   4           HB1      LYS   4 -10.053   1.685  -0.882
   16    HG2  LYS   4           HG2      LYS   4 -11.529   2.548   1.499
   17    HG3  LYS   4           HG1      LYS   4 -12.304   2.932  -0.039
   18    HD2  LYS   4           HD2      LYS   4 -13.128   0.816   0.424
   19    HD3  LYS   4           HD1      LYS   4 -11.764   0.468  -0.640
   20    HE2  LYS   4           HE2      LYS   4 -10.395  -0.185   1.176
   21    HE3  LYS   4           HE1      LYS   4 -11.525   0.475   2.358
   22    HZ1  LYS   4           HZ1      LYS   4 -12.112  -1.822   0.570
   23    HZ2  LYS   4           HZ2      LYS   4 -13.100  -1.231   1.809
   24    HZ3  LYS   4           HZ3      LYS   4 -11.621  -1.961   2.183
   25    H    ASP   5           HN       ASP   5  -8.798   0.255  -0.265
   26    HA   ASP   5           HA       ASP   5  -5.978   0.713  -0.919
   27    HB2  ASP   5           HB2      ASP   5  -5.571  -1.677  -0.563
   28    HB3  ASP   5           HB1      ASP   5  -6.210  -0.920   0.892
   29    H    TYR   6           HN       TYR   6  -5.420   0.501  -2.958
   30    HA   TYR   6           HA       TYR   6  -7.367  -0.030  -4.969
   31    HB2  TYR   6           HB2      TYR   6  -5.045   1.382  -4.916
   32    HB3  TYR   6           HB1      TYR   6  -4.521  -0.073  -5.757
   33    HD1  TYR   6           HD1      TYR   6  -7.356   2.367  -5.823
   34    HD2  TYR   6           HD2      TYR   6  -4.701  -0.097  -8.056
   35    HE1  TYR   6           HE1      TYR   6  -8.313   3.240  -7.913
   36    HE2  TYR   6           HE2      TYR   6  -5.650   0.770 -10.152
   37    HH   TYR   6           HH       TYR   6  -6.897   3.022 -10.817
   38    H    LEU   7           HN       LEU   7  -5.469  -2.081  -3.088
   39    HA   LEU   7           HA       LEU   7  -6.047  -4.306  -4.890
   40    HB2  LEU   7           HB2      LEU   7  -3.337  -3.465  -3.970
   41    HB3  LEU   7           HB1      LEU   7  -3.662  -5.156  -4.164
   42    HG   LEU   7           HG       LEU   7  -4.381  -3.387  -6.424
   43   HD11  LEU   7          HD11      LEU   7  -2.309  -2.446  -6.222
   44   HD12  LEU   7          HD12      LEU   7  -1.916  -3.873  -7.182
   45   HD13  LEU   7          HD13      LEU   7  -1.620  -3.871  -5.444
   46   HD21  LEU   7          HD21      LEU   7  -3.007  -5.599  -7.333
   47   HD22  LEU   7          HD22      LEU   7  -4.759  -5.422  -7.241
   48   HD23  LEU   7          HD23      LEU   7  -3.883  -6.200  -5.928
   49    HA   PRO   8           HA       PRO   8  -6.789  -6.456  -1.114
   50    HB2  PRO   8           HB2      PRO   8  -6.123  -8.981  -1.571
   51    HB3  PRO   8           HB1      PRO   8  -7.385  -8.190  -2.525
   52    HG2  PRO   8           HG2      PRO   8  -4.552  -8.754  -3.216
   53    HG3  PRO   8           HG1      PRO   8  -6.000  -8.870  -4.228
   54    HD2  PRO   8           HD2      PRO   8  -4.210  -6.745  -4.191
   55    HD3  PRO   8           HD1      PRO   8  -5.836  -6.656  -4.856
   56    H    LYS   9           HN       LYS   9  -5.940  -7.763   0.623
   57    HA   LYS   9           HA       LYS   9  -3.682  -6.695   1.789
   58    HB2  LYS   9           HB2      LYS   9  -4.672  -9.473   2.398
   59    HB3  LYS   9           HB1      LYS   9  -3.896  -8.336   3.492
   60    HG2  LYS   9           HG2      LYS   9  -6.195  -7.050   2.509
   61    HG3  LYS   9           HG1      LYS   9  -6.675  -8.696   2.923
   62    HD2  LYS   9           HD2      LYS   9  -5.069  -7.937   5.041
   63    HD3  LYS   9           HD1      LYS   9  -5.967  -6.468   4.655
   64    HE2  LYS   9           HE2      LYS   9  -7.204  -7.725   6.286
   65    HE3  LYS   9           HE1      LYS   9  -8.065  -7.787   4.749
   66    HZ1  LYS   9           HZ1      LYS   9  -7.718  -9.987   4.541
   67    HZ2  LYS   9           HZ2      LYS   9  -7.555  -9.932   6.224
   68    HZ3  LYS   9           HZ3      LYS   9  -6.178  -9.941   5.241
   69    H    SER  10           HN       SER  10  -3.877  -9.274  -0.510
   70    HA   SER  10           HA       SER  10  -1.320 -10.411   0.087
   71    HB2  SER  10           HB2      SER  10  -3.515 -11.228  -1.364
   72    HB3  SER  10           HB1      SER  10  -2.329 -10.877  -2.621
   73    HG   SER  10           HG       SER  10  -1.960 -12.585  -0.384
   74    H    GLU  11           HN       GLU  11  -2.379  -7.702  -1.788
   75    HA   GLU  11           HA       GLU  11   0.133  -7.629  -3.296
   76    HB2  GLU  11           HB2      GLU  11  -2.572  -6.631  -3.636
   77    HB3  GLU  11           HB1      GLU  11  -1.378  -5.388  -3.953
   78    HG2  GLU  11           HG2      GLU  11  -0.747  -7.935  -5.218
   79    HG3  GLU  11           HG1      GLU  11  -2.303  -7.273  -5.726
   80    H    CYS  12           HN       CYS  12  -1.729  -5.822  -0.946
   81    HA   CYS  12           HA       CYS  12   0.396  -3.835  -0.740
   82    HB2  CYS  12           HB2      CYS  12  -2.483  -3.945  -0.055
   83    HB3  CYS  12           HB1      CYS  12  -1.464  -2.902   0.947
   84    H    THR  13           HN       THR  13   1.981  -4.404   0.545
   85    HA   THR  13           HA       THR  13   1.320  -5.656   3.129
   86    HB   THR  13           HB       THR  13   3.723  -6.556   2.975
   87    HG1  THR  13           HG1      THR  13   4.545  -6.688   0.871
   88   HG21  THR  13          HG21      THR  13   3.126  -8.484   1.788
   89   HG22  THR  13          HG22      THR  13   1.982  -7.610   0.765
   90   HG23  THR  13          HG23      THR  13   1.611  -7.891   2.470
   91    H    GLN  14           HN       GLN  14   2.298  -4.832   4.974
   92    HA   GLN  14           HA       GLN  14   2.868  -2.144   5.131
   93    HB2  GLN  14           HB2      GLN  14   3.769  -4.440   6.865
   94    HB3  GLN  14           HB1      GLN  14   4.145  -2.769   7.262
   95    HG2  GLN  14           HG2      GLN  14   2.232  -3.236   8.498
   96    HG3  GLN  14           HG1      GLN  14   1.635  -2.345   7.099
   97   HE21  GLN  14          HE21      GLN  14   0.346  -3.376   5.600
   98   HE22  GLN  14          HE22      GLN  14  -0.309  -4.954   5.854
   99    H    PHE  15           HN       PHE  15   4.900  -4.770   4.190
  100    HA   PHE  15           HA       PHE  15   7.433  -3.600   4.380
  101    HB2  PHE  15           HB2      PHE  15   6.193  -5.895   3.065
  102    HB3  PHE  15           HB1      PHE  15   7.543  -5.242   2.156
  103    HD1  PHE  15           HD2      PHE  15   9.760  -4.985   3.339
  104    HD2  PHE  15           HD1      PHE  15   6.530  -7.238   4.948
  105    HE1  PHE  15           HE2      PHE  15  11.328  -6.157   4.820
  106    HE2  PHE  15           HE1      PHE  15   8.093  -8.419   6.439
  107    HZ   PHE  15           HZ       PHE  15  10.497  -7.880   6.376
  108    H    ARG  16           HN       ARG  16   4.963  -3.460   1.886
  109    HA   ARG  16           HA       ARG  16   6.432  -2.257  -0.149
  110    HB2  ARG  16           HB2      ARG  16   3.514  -1.755   0.432
  111    HB3  ARG  16           HB1      ARG  16   4.321  -1.651  -1.118
  112    HG2  ARG  16           HG2      ARG  16   3.960  -4.156   0.479
  113    HG3  ARG  16           HG1      ARG  16   2.984  -3.672  -0.907
  114    HD2  ARG  16           HD2      ARG  16   4.798  -3.910  -2.393
  115    HD3  ARG  16           HD1      ARG  16   5.968  -3.970  -1.075
  116    HE   ARG  16           HE       ARG  16   4.037  -6.117  -1.082
  117   HH11  ARG  16          HH11      ARG  16   7.177  -5.045  -2.169
  118   HH12  ARG  16          HH12      ARG  16   7.785  -6.651  -2.391
  119   HH21  ARG  16          HH21      ARG  16   4.836  -8.227  -1.376
  120   HH22  ARG  16          HH22      ARG  16   6.457  -8.457  -1.942
  121    H    CYS  17           HN       CYS  17   4.551  -0.710   2.458
  122    HA   CYS  17           HA       CYS  17   5.159   1.915   1.584
  123    HB2  CYS  17           HB2      CYS  17   4.032   0.760   4.092
  124    HB3  CYS  17           HB1      CYS  17   4.559   2.437   4.073
  125    H    ARG  18           HN       ARG  18   6.875  -0.402   3.441
  126    HA   ARG  18           HA       ARG  18   8.596   1.281   4.889
  127    HB2  ARG  18           HB2      ARG  18   8.301  -1.477   4.507
  128    HB3  ARG  18           HB1      ARG  18   9.945  -1.101   3.958
  129    HG2  ARG  18           HG2      ARG  18   9.702   0.280   6.349
  130    HG3  ARG  18           HG1      ARG  18   8.846  -1.232   6.653
  131    HD2  ARG  18           HD2      ARG  18  11.445  -1.435   5.257
  132    HD3  ARG  18           HD1      ARG  18  11.496  -0.953   6.952
  133    HE   ARG  18           HE       ARG  18   9.823  -3.190   6.693
  134   HH11  ARG  18          HH11      ARG  18  13.199  -2.337   6.451
  135   HH12  ARG  18          HH12      ARG  18  13.758  -3.912   6.904
  136   HH21  ARG  18          HH21      ARG  18  10.557  -5.262   7.289
  137   HH22  ARG  18          HH22      ARG  18  12.258  -5.573   7.379
  138    H    THR  19           HN       THR  19   8.995  -0.355   1.847
  139    HA   THR  19           HA       THR  19  11.316   1.331   1.266
  140    HB   THR  19           HB       THR  19  11.927  -0.891   1.640
  141    HG1  THR  19           HG1      THR  19  12.674   0.123  -0.419
  142   HG21  THR  19          HG21      THR  19   9.829  -1.987   1.537
  143   HG22  THR  19          HG22      THR  19  10.961  -2.801   0.449
  144   HG23  THR  19          HG23      THR  19   9.720  -1.730  -0.208
  145    H    SER  20           HN       SER  20   8.298   0.114  -0.083
  146    HA   SER  20           HA       SER  20   8.875   1.468  -2.623
  147    HB2  SER  20           HB2      SER  20   6.768  -0.553  -1.852
  148    HB3  SER  20           HB1      SER  20   6.801   0.263  -3.415
  149    HG   SER  20           HG       SER  20   8.104  -1.291  -3.955
  150    H    MET  21           HN       MET  21   8.109   3.432  -2.981
  151    HA   MET  21           HA       MET  21   6.161   4.630  -1.231
  152    HB2  MET  21           HB2      MET  21   7.517   5.692  -3.715
  153    HB3  MET  21           HB1      MET  21   6.496   6.641  -2.645
  154    HG2  MET  21           HG2      MET  21   8.539   7.208  -1.840
  155    HG3  MET  21           HG1      MET  21   8.197   5.809  -0.825
  156    HE1  MET  21           HE1      MET  21   9.634   7.114  -3.992
  157    HE2  MET  21           HE2      MET  21   9.640   5.536  -4.780
  158    HE3  MET  21           HE3      MET  21  11.154   6.253  -4.229
  159    H    LYS  22           HN       LYS  22   6.249   3.518  -4.573
  160    HA   LYS  22           HA       LYS  22   3.895   4.566  -5.550
  161    HB2  LYS  22           HB2      LYS  22   5.610   3.297  -6.842
  162    HB3  LYS  22           HB1      LYS  22   4.974   1.811  -6.152
  163    HG2  LYS  22           HG2      LYS  22   3.901   1.857  -8.169
  164    HG3  LYS  22           HG1      LYS  22   2.713   2.663  -7.144
  165    HD2  LYS  22           HD2      LYS  22   3.184   4.754  -8.022
  166    HD3  LYS  22           HD1      LYS  22   4.789   4.271  -8.575
  167    HE2  LYS  22           HE2      LYS  22   3.187   2.598 -10.008
  168    HE3  LYS  22           HE1      LYS  22   2.183   4.044  -9.904
  169    HZ1  LYS  22           HZ1      LYS  22   3.418   4.439 -11.783
  170    HZ2  LYS  22           HZ2      LYS  22   4.813   3.700 -11.175
  171    HZ3  LYS  22           HZ3      LYS  22   4.354   5.229 -10.615
  172    H    TYR  23           HN       TYR  23   4.306   1.482  -3.828
  173    HA   TYR  23           HA       TYR  23   1.632   0.643  -3.992
  174    HB2  TYR  23           HB2      TYR  23   3.888  -0.015  -2.125
  175    HB3  TYR  23           HB1      TYR  23   2.290  -0.718  -1.902
  176    HD1  TYR  23           HD2      TYR  23   4.378  -0.063  -4.928
  177    HD2  TYR  23           HD1      TYR  23   2.318  -2.917  -2.548
  178    HE1  TYR  23           HE2      TYR  23   4.939  -1.820  -6.560
  179    HE2  TYR  23           HE1      TYR  23   2.873  -4.681  -4.160
  180    HH   TYR  23           HH       TYR  23   3.458  -4.605  -6.845
  181    H    ARG  24           HN       ARG  24   3.157   2.940  -1.926
  182    HA   ARG  24           HA       ARG  24   1.193   2.831   0.164
  183    HB2  ARG  24           HB2      ARG  24   2.864   5.255  -0.156
  184    HB3  ARG  24           HB1      ARG  24   2.491   4.333   1.289
  185    HG2  ARG  24           HG2      ARG  24   4.050   2.573   0.470
  186    HG3  ARG  24           HG1      ARG  24   4.507   3.663  -0.836
  187    HD2  ARG  24           HD2      ARG  24   5.133   5.353   0.877
  188    HD3  ARG  24           HD1      ARG  24   4.831   4.141   2.121
  189    HE   ARG  24           HE       ARG  24   6.589   2.848   0.622
  190   HH11  ARG  24          HH11      ARG  24   6.615   6.172   1.714
  191   HH12  ARG  24          HH12      ARG  24   8.342   6.281   1.730
  192   HH21  ARG  24          HH21      ARG  24   8.859   3.000   0.654
  193   HH22  ARG  24          HH22      ARG  24   9.615   4.483   1.131
  194    H    LEU  25           HN       LEU  25   2.023   5.425  -2.121
  195    HA   LEU  25           HA       LEU  25  -0.558   6.667  -1.614
  196    HB2  LEU  25           HB2      LEU  25   1.616   7.677  -3.423
  197    HB3  LEU  25           HB1      LEU  25   0.342   8.599  -2.643
  198    HG   LEU  25           HG       LEU  25   2.123   9.183  -1.324
  199   HD11  LEU  25          HD11      LEU  25   0.327   7.555  -0.106
  200   HD12  LEU  25          HD12      LEU  25   1.598   8.444   0.729
  201   HD13  LEU  25          HD13      LEU  25   1.843   6.752   0.302
  202   HD21  LEU  25          HD21      LEU  25   3.611   6.884  -0.701
  203   HD22  LEU  25          HD22      LEU  25   4.085   8.238  -1.725
  204   HD23  LEU  25          HD23      LEU  25   3.309   6.826  -2.438
  205    H    ASN  26           HN       ASN  26   1.243   5.300  -4.326
  206    HA   ASN  26           HA       ASN  26  -0.684   6.004  -6.283
  207    HB2  ASN  26           HB2      ASN  26   1.868   5.276  -6.413
  208    HB3  ASN  26           HB1      ASN  26   1.135   3.708  -6.750
  209   HD21  ASN  26          HD21      ASN  26   2.008   6.718  -8.003
  210   HD22  ASN  26          HD22      ASN  26   1.283   6.556  -9.563
  211    H    LEU  27           HN       LEU  27  -0.171   3.045  -4.383
  212    HA   LEU  27           HA       LEU  27  -2.457   1.830  -5.754
  213    HB2  LEU  27           HB2      LEU  27  -0.241   0.748  -4.072
  214    HB3  LEU  27           HB1      LEU  27  -1.742  -0.149  -4.177
  215    HG   LEU  27           HG       LEU  27  -1.493  -0.179  -6.658
  216   HD11  LEU  27          HD11      LEU  27   1.281   0.847  -6.088
  217   HD12  LEU  27          HD12      LEU  27  -0.019   1.801  -6.803
  218   HD13  LEU  27          HD13      LEU  27   0.615   0.394  -7.657
  219   HD21  LEU  27          HD21      LEU  27  -0.045  -2.017  -6.665
  220   HD22  LEU  27          HD22      LEU  27  -0.704  -1.981  -5.029
  221   HD23  LEU  27          HD23      LEU  27   0.922  -1.373  -5.338
  222    H    CYS  28           HN       CYS  28  -1.978   0.638  -2.569
  223    HA   CYS  28           HA       CYS  28  -4.543   1.773  -1.769
  224    HB2  CYS  28           HB2      CYS  28  -4.401   0.159   0.050
  225    HB3  CYS  28           HB1      CYS  28  -4.065  -0.640  -1.489
  226    H    LYS  29           HN       LYS  29  -4.831   2.956   0.104
  227    HA   LYS  29           HA       LYS  29  -2.570   4.548   0.917
  228    HB2  LYS  29           HB2      LYS  29  -5.477   4.648   1.728
  229    HB3  LYS  29           HB1      LYS  29  -4.252   5.798   2.250
  230    HG2  LYS  29           HG2      LYS  29  -4.177   5.583  -0.597
  231    HG3  LYS  29           HG1      LYS  29  -5.839   5.876  -0.075
  232    HD2  LYS  29           HD2      LYS  29  -5.384   7.975   0.594
  233    HD3  LYS  29           HD1      LYS  29  -3.833   7.516   1.299
  234    HE2  LYS  29           HE2      LYS  29  -2.686   8.038  -0.568
  235    HE3  LYS  29           HE1      LYS  29  -3.944   7.416  -1.636
  236    HZ1  LYS  29           HZ1      LYS  29  -3.988   9.673  -2.036
  237    HZ2  LYS  29           HZ2      LYS  29  -3.705  10.089  -0.421
  238    HZ3  LYS  29           HZ3      LYS  29  -5.221   9.504  -0.890
  239    H    LYS  30           HN       LYS  30  -5.032   2.655   2.639
  240    HA   LYS  30           HA       LYS  30  -3.452   2.635   5.037
  241    HB2  LYS  30           HB2      LYS  30  -5.802   2.857   5.296
  242    HB3  LYS  30           HB1      LYS  30  -6.107   1.421   4.327
  243    HG2  LYS  30           HG2      LYS  30  -6.446   0.735   6.532
  244    HG3  LYS  30           HG1      LYS  30  -4.836   0.140   6.117
  245    HD2  LYS  30           HD2      LYS  30  -4.503   1.064   8.211
  246    HD3  LYS  30           HD1      LYS  30  -4.016   2.372   7.132
  247    HE2  LYS  30           HE2      LYS  30  -6.185   3.432   7.400
  248    HE3  LYS  30           HE1      LYS  30  -6.732   2.099   8.416
  249    HZ1  LYS  30           HZ1      LYS  30  -5.750   4.331   9.410
  250    HZ2  LYS  30           HZ2      LYS  30  -4.299   3.478   9.242
  251    HZ3  LYS  30           HZ3      LYS  30  -5.552   2.837  10.181
  252    H    THR  31           HN       THR  31  -4.723   0.002   2.954
  253    HA   THR  31           HA       THR  31  -3.690  -2.112   4.327
  254    HB   THR  31           HB       THR  31  -3.815  -1.898   1.323
  255    HG1  THR  31           HG1      THR  31  -5.881  -2.863   1.667
  256   HG21  THR  31          HG21      THR  31  -3.916  -4.232   1.241
  257   HG22  THR  31          HG22      THR  31  -4.105  -4.365   2.988
  258   HG23  THR  31          HG23      THR  31  -2.560  -3.859   2.307
  259    H    CYS  32           HN       CYS  32  -1.900   0.087   2.312
  260    HA   CYS  32           HA       CYS  32   0.433  -1.598   2.159
  261    HB2  CYS  32           HB2      CYS  32   0.227   0.002   0.414
  262    HB3  CYS  32           HB1      CYS  32   0.019   1.330   1.549
  263    H    GLY  33           HN       GLY  33  -0.918   0.339   4.551
  264    HA2  GLY  33           HA2      GLY  33  -0.192   0.435   6.775
  265    HA3  GLY  33           HA1      GLY  33   1.396  -0.101   6.257
  266    H    THR  34           HN       THR  34  -0.489   2.692   5.098
  267    HA   THR  34           HA       THR  34   1.540   4.442   6.310
  268    HB   THR  34           HB       THR  34   2.193   4.340   4.024
  269    HG1  THR  34           HG1      THR  34   1.880   6.489   3.405
  270   HG21  THR  34          HG21      THR  34   0.110   3.458   3.061
  271   HG22  THR  34          HG22      THR  34   0.784   4.810   2.150
  272   HG23  THR  34          HG23      THR  34  -0.600   5.066   3.212
  273    H    CYS  35           HN       CYS  35  -1.751   4.040   5.162
  274    HA   CYS  35           HA       CYS  35  -2.726   6.612   5.607
  275    HB2  CYS  35           HB2      CYS  35  -3.982   4.745   4.510
  276    HB3  CYS  35           HB1      CYS  35  -4.243   4.045   6.104
  Start of MODEL   10
    1    H1   ALA   2           HT1      ALA   2 -12.110   8.608   2.486
    2    H2   ALA   2           HT2      ALA   2 -11.185   8.078   3.832
    3    H3   ALA   2           HT3      ALA   2 -11.619   6.969   2.596
    4    HA   ALA   2           HA       ALA   2 -10.366   8.438   1.044
    5    HB1  ALA   2           HB1      ALA   2  -9.844   9.721   3.641
    6    HB2  ALA   2           HB2      ALA   2  -9.831  10.398   2.013
    7    HB3  ALA   2           HB3      ALA   2  -8.436   9.495   2.603
    8    H    CYS   3           HN       CYS   3  -9.869   6.578   3.948
    9    HA   CYS   3           HA       CYS   3  -7.334   5.509   3.034
   10    HB2  CYS   3           HB2      CYS   3  -9.034   5.031   5.475
   11    HB3  CYS   3           HB1      CYS   3  -7.627   4.037   5.117
   12    H    LYS   4           HN       LYS   4  -7.896   4.465   1.108
   13    HA   LYS   4           HA       LYS   4  -9.382   1.954   1.499
   14    HB2  LYS   4           HB2      LYS   4  -9.464   3.787  -0.903
   15    HB3  LYS   4           HB1      LYS   4 -10.131   2.160  -0.883
   16    HG2  LYS   4           HG2      LYS   4 -11.066   3.866   1.303
   17    HG3  LYS   4           HG1      LYS   4 -11.514   4.428  -0.309
   18    HD2  LYS   4           HD2      LYS   4 -12.460   2.217  -0.805
   19    HD3  LYS   4           HD1      LYS   4 -12.031   1.677   0.820
   20    HE2  LYS   4           HE2      LYS   4 -13.516   3.317   1.796
   21    HE3  LYS   4           HE1      LYS   4 -13.879   3.978   0.202
   22    HZ1  LYS   4           HZ1      LYS   4 -14.861   1.551   1.474
   23    HZ2  LYS   4           HZ2      LYS   4 -14.548   1.449  -0.185
   24    HZ3  LYS   4           HZ3      LYS   4 -15.638   2.602   0.399
   25    H    ASP   5           HN       ASP   5  -8.860   0.351  -0.308
   26    HA   ASP   5           HA       ASP   5  -6.006   0.535  -0.945
   27    HB2  ASP   5           HB2      ASP   5  -5.839  -1.890  -0.609
   28    HB3  ASP   5           HB1      ASP   5  -6.388  -1.074   0.851
   29    H    TYR   6           HN       TYR   6  -5.468   0.337  -2.974
   30    HA   TYR   6           HA       TYR   6  -7.452  -0.134  -4.992
   31    HB2  TYR   6           HB2      TYR   6  -4.859   1.062  -4.850
   32    HB3  TYR   6           HB1      TYR   6  -4.841  -0.147  -6.129
   33    HD1  TYR   6           HD2      TYR   6  -7.657   2.025  -5.027
   34    HD2  TYR   6           HD1      TYR   6  -4.844   1.125  -8.090
   35    HE1  TYR   6           HE2      TYR   6  -8.792   3.610  -6.527
   36    HE2  TYR   6           HE1      TYR   6  -5.971   2.707  -9.598
   37    HH   TYR   6           HH       TYR   6  -7.508   4.893  -9.156
   38    H    LEU   7           HN       LEU   7  -5.582  -2.190  -3.128
   39    HA   LEU   7           HA       LEU   7  -6.072  -4.392  -4.982
   40    HB2  LEU   7           HB2      LEU   7  -3.400  -3.504  -4.009
   41    HB3  LEU   7           HB1      LEU   7  -3.681  -5.204  -4.183
   42    HG   LEU   7           HG       LEU   7  -4.387  -3.469  -6.479
   43   HD11  LEU   7          HD11      LEU   7  -1.683  -3.785  -5.374
   44   HD12  LEU   7          HD12      LEU   7  -2.342  -2.537  -6.432
   45   HD13  LEU   7          HD13      LEU   7  -1.843  -4.090  -7.103
   46   HD21  LEU   7          HD21      LEU   7  -4.812  -5.561  -7.165
   47   HD22  LEU   7          HD22      LEU   7  -3.759  -6.283  -5.953
   48   HD23  LEU   7          HD23      LEU   7  -3.072  -5.632  -7.438
   49    HA   PRO   8           HA       PRO   8  -6.864  -6.604  -1.249
   50    HB2  PRO   8           HB2      PRO   8  -6.101  -9.105  -1.679
   51    HB3  PRO   8           HB1      PRO   8  -7.348  -8.354  -2.686
   52    HG2  PRO   8           HG2      PRO   8  -4.466  -8.812  -3.255
   53    HG3  PRO   8           HG1      PRO   8  -5.865  -8.997  -4.325
   54    HD2  PRO   8           HD2      PRO   8  -4.177  -6.800  -4.247
   55    HD3  PRO   8           HD1      PRO   8  -5.791  -6.778  -4.950
   56    H    LYS   9           HN       LYS   9  -6.030  -7.881   0.521
   57    HA   LYS   9           HA       LYS   9  -3.831  -6.733   1.738
   58    HB2  LYS   9           HB2      LYS   9  -4.897  -9.492   2.339
   59    HB3  LYS   9           HB1      LYS   9  -4.025  -8.433   3.438
   60    HG2  LYS   9           HG2      LYS   9  -6.418  -7.198   2.335
   61    HG3  LYS   9           HG1      LYS   9  -6.753  -8.673   3.243
   62    HD2  LYS   9           HD2      LYS   9  -4.831  -6.889   4.543
   63    HD3  LYS   9           HD1      LYS   9  -6.432  -6.179   4.328
   64    HE2  LYS   9           HE2      LYS   9  -7.454  -7.743   5.676
   65    HE3  LYS   9           HE1      LYS   9  -6.199  -8.951   5.405
   66    HZ1  LYS   9           HZ1      LYS   9  -4.752  -7.184   6.660
   67    HZ2  LYS   9           HZ2      LYS   9  -5.698  -8.296   7.513
   68    HZ3  LYS   9           HZ3      LYS   9  -6.249  -6.713   7.293
   69    H    SER  10           HN       SER  10  -3.885  -9.289  -0.574
   70    HA   SER  10           HA       SER  10  -1.331 -10.384   0.152
   71    HB2  SER  10           HB2      SER  10  -2.924 -11.860  -0.876
   72    HB3  SER  10           HB1      SER  10  -3.096 -10.788  -2.266
   73    HG   SER  10           HG       SER  10  -1.414 -12.776  -2.000
   74    H    GLU  11           HN       GLU  11  -2.369  -7.711  -1.770
   75    HA   GLU  11           HA       GLU  11   0.156  -7.663  -3.256
   76    HB2  GLU  11           HB2      GLU  11  -2.542  -6.658  -3.639
   77    HB3  GLU  11           HB1      GLU  11  -1.337  -5.424  -3.956
   78    HG2  GLU  11           HG2      GLU  11  -0.639  -7.948  -5.186
   79    HG3  GLU  11           HG1      GLU  11  -2.239  -7.396  -5.688
   80    H    CYS  12           HN       CYS  12  -1.714  -5.824  -0.940
   81    HA   CYS  12           HA       CYS  12   0.423  -3.848  -0.737
   82    HB2  CYS  12           HB2      CYS  12  -2.462  -3.929  -0.088
   83    HB3  CYS  12           HB1      CYS  12  -1.453  -2.903   0.939
   84    H    THR  13           HN       THR  13   1.986  -4.334   0.598
   85    HA   THR  13           HA       THR  13   1.310  -5.606   3.169
   86    HB   THR  13           HB       THR  13   3.725  -6.484   3.037
   87    HG1  THR  13           HG1      THR  13   4.806  -5.843   1.386
   88   HG21  THR  13          HG21      THR  13   2.004  -7.555   0.817
   89   HG22  THR  13          HG22      THR  13   1.633  -7.844   2.520
   90   HG23  THR  13          HG23      THR  13   3.156  -8.419   1.841
   91    H    GLN  14           HN       GLN  14   2.291  -4.787   5.024
   92    HA   GLN  14           HA       GLN  14   2.831  -2.094   5.197
   93    HB2  GLN  14           HB2      GLN  14   4.144  -4.179   6.948
   94    HB3  GLN  14           HB1      GLN  14   3.772  -2.514   7.372
   95    HG2  GLN  14           HG2      GLN  14   1.848  -4.782   6.949
   96    HG3  GLN  14           HG1      GLN  14   2.165  -3.888   8.435
   97   HE21  GLN  14          HE21      GLN  14   0.368  -4.025   5.526
   98   HE22  GLN  14          HE22      GLN  14  -0.543  -2.575   5.754
   99    H    PHE  15           HN       PHE  15   4.887  -4.690   4.221
  100    HA   PHE  15           HA       PHE  15   7.403  -3.473   4.405
  101    HB2  PHE  15           HB2      PHE  15   6.205  -5.806   3.109
  102    HB3  PHE  15           HB1      PHE  15   7.550  -5.137   2.203
  103    HD1  PHE  15           HD1      PHE  15   9.759  -4.843   3.383
  104    HD2  PHE  15           HD2      PHE  15   6.551  -7.109   5.020
  105    HE1  PHE  15           HE1      PHE  15  11.337  -5.976   4.886
  106    HE2  PHE  15           HE2      PHE  15   8.124  -8.250   6.530
  107    HZ   PHE  15           HZ       PHE  15  10.522  -7.684   6.466
  108    H    ARG  16           HN       ARG  16   4.932  -3.428   1.889
  109    HA   ARG  16           HA       ARG  16   6.360  -2.196  -0.151
  110    HB2  ARG  16           HB2      ARG  16   3.434  -1.832   0.514
  111    HB3  ARG  16           HB1      ARG  16   4.186  -1.493  -1.030
  112    HG2  ARG  16           HG2      ARG  16   4.148  -4.202   0.237
  113    HG3  ARG  16           HG1      ARG  16   2.938  -3.635  -0.913
  114    HD2  ARG  16           HD2      ARG  16   4.335  -4.626  -2.397
  115    HD3  ARG  16           HD1      ARG  16   5.155  -3.068  -2.299
  116    HE   ARG  16           HE       ARG  16   6.287  -4.574  -0.319
  117   HH11  ARG  16          HH11      ARG  16   5.874  -4.940  -3.765
  118   HH12  ARG  16          HH12      ARG  16   7.319  -5.873  -3.965
  119   HH21  ARG  16          HH21      ARG  16   8.187  -5.802  -0.580
  120   HH22  ARG  16          HH22      ARG  16   8.631  -6.364  -2.157
  121    H    CYS  17           HN       CYS  17   4.493  -0.672   2.476
  122    HA   CYS  17           HA       CYS  17   5.078   1.964   1.602
  123    HB2  CYS  17           HB2      CYS  17   3.949   0.796   4.106
  124    HB3  CYS  17           HB1      CYS  17   4.460   2.479   4.085
  125    H    ARG  18           HN       ARG  18   6.807  -0.348   3.449
  126    HA   ARG  18           HA       ARG  18   8.505   1.344   4.917
  127    HB2  ARG  18           HB2      ARG  18   8.232  -1.413   4.531
  128    HB3  ARG  18           HB1      ARG  18   9.872  -1.027   3.979
  129    HG2  ARG  18           HG2      ARG  18   9.773   0.336   6.324
  130    HG3  ARG  18           HG1      ARG  18   8.722  -1.032   6.694
  131    HD2  ARG  18           HD2      ARG  18  11.042  -1.510   7.286
  132    HD3  ARG  18           HD1      ARG  18  10.474  -2.579   6.004
  133    HE   ARG  18           HE       ARG  18  11.668  -0.507   4.688
  134   HH11  ARG  18          HH11      ARG  18  12.683  -2.768   7.145
  135   HH12  ARG  18          HH12      ARG  18  14.340  -2.763   6.642
  136   HH21  ARG  18          HH21      ARG  18  13.846  -0.499   4.025
  137   HH22  ARG  18          HH22      ARG  18  15.001  -1.475   4.871
  138    H    THR  19           HN       THR  19   8.927  -0.282   1.873
  139    HA   THR  19           HA       THR  19  11.232   1.426   1.296
  140    HB   THR  19           HB       THR  19  11.858  -0.796   1.670
  141    HG1  THR  19           HG1      THR  19  11.625  -0.550  -1.158
  142   HG21  THR  19          HG21      THR  19  10.910  -2.706   0.463
  143   HG22  THR  19          HG22      THR  19   9.667  -1.639  -0.195
  144   HG23  THR  19          HG23      THR  19   9.769  -1.906   1.550
  145    H    SER  20           HN       SER  20   8.228   0.177  -0.049
  146    HA   SER  20           HA       SER  20   8.787   1.509  -2.601
  147    HB2  SER  20           HB2      SER  20   6.390  -0.211  -1.970
  148    HB3  SER  20           HB1      SER  20   7.045   0.205  -3.553
  149    HG   SER  20           HG       SER  20   8.745  -1.144  -3.211
  150    H    MET  21           HN       MET  21   8.070   3.495  -2.942
  151    HA   MET  21           HA       MET  21   6.136   4.728  -1.202
  152    HB2  MET  21           HB2      MET  21   7.949   5.604  -3.375
  153    HB3  MET  21           HB1      MET  21   6.497   6.566  -3.143
  154    HG2  MET  21           HG2      MET  21   7.192   7.395  -1.164
  155    HG3  MET  21           HG1      MET  21   8.040   5.917  -0.717
  156    HE1  MET  21           HE1      MET  21   8.275   9.206  -2.987
  157    HE2  MET  21           HE2      MET  21   9.819   9.701  -2.293
  158    HE3  MET  21           HE3      MET  21   8.435   9.405  -1.242
  159    H    LYS  22           HN       LYS  22   6.209   3.586  -4.531
  160    HA   LYS  22           HA       LYS  22   3.871   4.687  -5.512
  161    HB2  LYS  22           HB2      LYS  22   5.475   3.511  -6.912
  162    HB3  LYS  22           HB1      LYS  22   5.091   1.991  -6.117
  163    HG2  LYS  22           HG2      LYS  22   3.732   1.682  -7.863
  164    HG3  LYS  22           HG1      LYS  22   2.640   2.753  -6.988
  165    HD2  LYS  22           HD2      LYS  22   3.034   4.519  -8.378
  166    HD3  LYS  22           HD1      LYS  22   4.686   4.008  -8.733
  167    HE2  LYS  22           HE2      LYS  22   2.208   2.634  -9.764
  168    HE3  LYS  22           HE1      LYS  22   3.140   3.825 -10.671
  169    HZ1  LYS  22           HZ1      LYS  22   4.695   1.636  -9.597
  170    HZ2  LYS  22           HZ2      LYS  22   4.732   2.339 -11.135
  171    HZ3  LYS  22           HZ3      LYS  22   3.558   1.179 -10.765
  172    H    TYR  23           HN       TYR  23   4.248   1.548  -3.879
  173    HA   TYR  23           HA       TYR  23   1.581   0.731  -4.045
  174    HB2  TYR  23           HB2      TYR  23   3.827   0.056  -2.178
  175    HB3  TYR  23           HB1      TYR  23   2.227  -0.637  -1.948
  176    HD1  TYR  23           HD1      TYR  23   4.229   0.022  -5.025
  177    HD2  TYR  23           HD2      TYR  23   2.309  -2.848  -2.552
  178    HE1  TYR  23           HE1      TYR  23   4.773  -1.739  -6.658
  179    HE2  TYR  23           HE2      TYR  23   2.846  -4.617  -4.164
  180    HH   TYR  23           HH       TYR  23   4.766  -4.892  -6.032
  181    H    ARG  24           HN       ARG  24   3.099   2.976  -1.908
  182    HA   ARG  24           HA       ARG  24   1.127   2.841   0.160
  183    HB2  ARG  24           HB2      ARG  24   2.752   5.299  -0.137
  184    HB3  ARG  24           HB1      ARG  24   2.398   4.354   1.299
  185    HG2  ARG  24           HG2      ARG  24   3.986   2.626   0.431
  186    HG3  ARG  24           HG1      ARG  24   4.434   3.771  -0.831
  187    HD2  ARG  24           HD2      ARG  24   5.033   5.407   0.931
  188    HD3  ARG  24           HD1      ARG  24   4.714   4.166   2.143
  189    HE   ARG  24           HE       ARG  24   6.503   2.911   0.653
  190   HH11  ARG  24          HH11      ARG  24   6.497   6.219   1.795
  191   HH12  ARG  24          HH12      ARG  24   8.223   6.335   1.839
  192   HH21  ARG  24          HH21      ARG  24   8.771   3.071   0.724
  193   HH22  ARG  24          HH22      ARG  24   9.514   4.551   1.233
  194    H    LEU  25           HN       LEU  25   1.903   5.478  -2.098
  195    HA   LEU  25           HA       LEU  25  -0.707   6.656  -1.579
  196    HB2  LEU  25           HB2      LEU  25   1.446   7.743  -3.368
  197    HB3  LEU  25           HB1      LEU  25   0.150   8.623  -2.573
  198    HG   LEU  25           HG       LEU  25   1.912   9.224  -1.239
  199   HD11  LEU  25          HD11      LEU  25   1.431   8.415   0.804
  200   HD12  LEU  25          HD12      LEU  25   1.676   6.737   0.321
  201   HD13  LEU  25          HD13      LEU  25   0.155   7.550  -0.050
  202   HD21  LEU  25          HD21      LEU  25   3.461   6.952  -0.664
  203   HD22  LEU  25          HD22      LEU  25   3.899   8.339  -1.660
  204   HD23  LEU  25          HD23      LEU  25   3.158   6.922  -2.401
  205    H    ASN  26           HN       ASN  26   1.129   5.359  -4.299
  206    HA   ASN  26           HA       ASN  26  -0.791   6.062  -6.262
  207    HB2  ASN  26           HB2      ASN  26   1.767   5.378  -6.383
  208    HB3  ASN  26           HB1      ASN  26   1.068   3.797  -6.731
  209   HD21  ASN  26          HD21      ASN  26   2.133   6.614  -8.066
  210   HD22  ASN  26          HD22      ASN  26   1.332   6.527  -9.594
  211    H    LEU  27           HN       LEU  27  -0.258   3.082  -4.401
  212    HA   LEU  27           HA       LEU  27  -2.533   1.873  -5.800
  213    HB2  LEU  27           HB2      LEU  27  -0.273   0.780  -4.199
  214    HB3  LEU  27           HB1      LEU  27  -1.772  -0.125  -4.236
  215    HG   LEU  27           HG       LEU  27  -1.637  -0.134  -6.731
  216   HD11  LEU  27          HD11      LEU  27   0.914   1.281  -6.112
  217   HD12  LEU  27          HD12      LEU  27  -0.278   1.608  -7.370
  218   HD13  LEU  27          HD13      LEU  27   0.810   0.228  -7.524
  219   HD21  LEU  27          HD21      LEU  27  -0.225  -1.990  -6.806
  220   HD22  LEU  27          HD22      LEU  27  -0.790  -1.949  -5.136
  221   HD23  LEU  27          HD23      LEU  27   0.824  -1.360  -5.536
  222    H    CYS  28           HN       CYS  28  -2.063   0.584  -2.656
  223    HA   CYS  28           HA       CYS  28  -4.630   1.678  -1.832
  224    HB2  CYS  28           HB2      CYS  28  -4.462   0.060  -0.030
  225    HB3  CYS  28           HB1      CYS  28  -4.055  -0.728  -1.558
  226    H    LYS  29           HN       LYS  29  -4.936   2.872   0.037
  227    HA   LYS  29           HA       LYS  29  -2.695   4.503   0.833
  228    HB2  LYS  29           HB2      LYS  29  -5.609   4.572   1.619
  229    HB3  LYS  29           HB1      LYS  29  -4.403   5.723   2.182
  230    HG2  LYS  29           HG2      LYS  29  -4.348   5.492  -0.694
  231    HG3  LYS  29           HG1      LYS  29  -5.965   5.904  -0.115
  232    HD2  LYS  29           HD2      LYS  29  -5.335   7.958   0.563
  233    HD3  LYS  29           HD1      LYS  29  -3.779   7.388   1.171
  234    HE2  LYS  29           HE2      LYS  29  -2.879   7.350  -1.076
  235    HE3  LYS  29           HE1      LYS  29  -4.447   7.805  -1.741
  236    HZ1  LYS  29           HZ1      LYS  29  -4.059   9.795  -0.033
  237    HZ2  LYS  29           HZ2      LYS  29  -3.537   9.849  -1.641
  238    HZ3  LYS  29           HZ3      LYS  29  -2.447   9.445  -0.412
  239    H    LYS  30           HN       LYS  30  -5.136   2.600   2.567
  240    HA   LYS  30           HA       LYS  30  -3.560   2.613   4.968
  241    HB2  LYS  30           HB2      LYS  30  -5.937   2.810   5.171
  242    HB3  LYS  30           HB1      LYS  30  -6.186   1.313   4.281
  243    HG2  LYS  30           HG2      LYS  30  -6.502   0.693   6.492
  244    HG3  LYS  30           HG1      LYS  30  -4.836   0.211   6.160
  245    HD2  LYS  30           HD2      LYS  30  -3.972   1.733   7.574
  246    HD3  LYS  30           HD1      LYS  30  -5.183   2.951   7.167
  247    HE2  LYS  30           HE2      LYS  30  -6.578   2.308   8.824
  248    HE3  LYS  30           HE1      LYS  30  -6.177   0.601   8.640
  249    HZ1  LYS  30           HZ1      LYS  30  -3.904   1.454   9.632
  250    HZ2  LYS  30           HZ2      LYS  30  -5.196   1.008  10.627
  251    HZ3  LYS  30           HZ3      LYS  30  -4.907   2.641  10.299
  252    H    THR  31           HN       THR  31  -4.805  -0.041   2.905
  253    HA   THR  31           HA       THR  31  -3.767  -2.149   4.277
  254    HB   THR  31           HB       THR  31  -3.875  -1.917   1.273
  255    HG1  THR  31           HG1      THR  31  -5.924  -2.935   1.612
  256   HG21  THR  31          HG21      THR  31  -3.935  -4.249   1.160
  257   HG22  THR  31          HG22      THR  31  -4.135  -4.409   2.904
  258   HG23  THR  31          HG23      THR  31  -2.593  -3.873   2.242
  259    H    CYS  32           HN       CYS  32  -1.961   0.069   2.298
  260    HA   CYS  32           HA       CYS  32   0.388  -1.605   2.180
  261    HB2  CYS  32           HB2      CYS  32   0.184  -0.028   0.412
  262    HB3  CYS  32           HB1      CYS  32  -0.054   1.311   1.527
  263    H    GLY  33           HN       GLY  33  -1.006   0.365   4.527
  264    HA2  GLY  33           HA2      GLY  33  -0.309   0.546   6.751
  265    HA3  GLY  33           HA1      GLY  33   1.278  -0.036   6.277
  266    H    THR  34           HN       THR  34  -0.705   2.774   5.299
  267    HA   THR  34           HA       THR  34   1.377   4.540   6.346
  268    HB   THR  34           HB       THR  34   2.065   4.334   4.067
  269    HG1  THR  34           HG1      THR  34   1.999   6.473   4.892
  270   HG21  THR  34          HG21      THR  34   0.652   4.814   2.169
  271   HG22  THR  34          HG22      THR  34  -0.735   5.032   3.237
  272   HG23  THR  34          HG23      THR  34   0.020   3.443   3.081
  273    H    CYS  35           HN       CYS  35  -1.883   4.159   5.058
  274    HA   CYS  35           HA       CYS  35  -2.814   6.759   5.468
  275    HB2  CYS  35           HB2      CYS  35  -3.915   4.487   4.492
  276    HB3  CYS  35           HB1      CYS  35  -4.731   4.589   6.044
  Start of MODEL   11
    1    H1   ALA   2           HT1      ALA   2 -12.045   7.596   7.030
    2    H2   ALA   2           HT2      ALA   2 -11.774   8.671   5.720
    3    H3   ALA   2           HT3      ALA   2 -10.522   7.620   6.244
    4    HA   ALA   2           HA       ALA   2 -12.148   5.777   5.720
    5    HB1  ALA   2           HB1      ALA   2 -13.967   6.210   4.434
    6    HB2  ALA   2           HB2      ALA   2 -13.228   7.613   3.663
    7    HB3  ALA   2           HB3      ALA   2 -13.886   7.748   5.293
    8    H    CYS   3           HN       CYS   3 -10.260   4.893   5.006
    9    HA   CYS   3           HA       CYS   3  -9.115   5.962   2.515
   10    HB2  CYS   3           HB2      CYS   3  -7.924   5.062   4.945
   11    HB3  CYS   3           HB1      CYS   3  -7.439   3.957   3.663
   12    H    LYS   4           HN       LYS   4  -8.151   4.259   1.055
   13    HA   LYS   4           HA       LYS   4  -9.512   1.689   1.155
   14    HB2  LYS   4           HB2      LYS   4  -9.763   3.567  -1.202
   15    HB3  LYS   4           HB1      LYS   4 -10.296   1.892  -1.185
   16    HG2  LYS   4           HG2      LYS   4 -11.343   3.980   0.708
   17    HG3  LYS   4           HG1      LYS   4 -12.095   3.597  -0.842
   18    HD2  LYS   4           HD2      LYS   4 -12.105   1.165   0.006
   19    HD3  LYS   4           HD1      LYS   4 -11.820   1.871   1.598
   20    HE2  LYS   4           HE2      LYS   4 -13.936   3.292   0.303
   21    HE3  LYS   4           HE1      LYS   4 -14.274   1.563   0.233
   22    HZ1  LYS   4           HZ1      LYS   4 -14.127   3.335   2.541
   23    HZ2  LYS   4           HZ2      LYS   4 -13.524   1.769   2.754
   24    HZ3  LYS   4           HZ3      LYS   4 -15.126   1.998   2.263
   25    H    ASP   5           HN       ASP   5  -8.756   0.226  -0.608
   26    HA   ASP   5           HA       ASP   5  -5.952   0.786  -1.243
   27    HB2  ASP   5           HB2      ASP   5  -5.549  -1.658  -0.947
   28    HB3  ASP   5           HB1      ASP   5  -6.040  -0.832   0.530
   29    H    TYR   6           HN       TYR   6  -5.296   0.465  -3.246
   30    HA   TYR   6           HA       TYR   6  -7.189  -0.019  -5.320
   31    HB2  TYR   6           HB2      TYR   6  -4.531   1.003  -5.112
   32    HB3  TYR   6           HB1      TYR   6  -4.534  -0.269  -6.328
   33    HD1  TYR   6           HD1      TYR   6  -6.644   2.655  -5.326
   34    HD2  TYR   6           HD2      TYR   6  -4.957   0.375  -8.497
   35    HE1  TYR   6           HE1      TYR   6  -7.595   4.231  -6.957
   36    HE2  TYR   6           HE2      TYR   6  -5.902   1.945 -10.137
   37    HH   TYR   6           HH       TYR   6  -6.735   4.803  -9.680
   38    H    LEU   7           HN       LEU   7  -5.203  -2.053  -3.412
   39    HA   LEU   7           HA       LEU   7  -5.896  -4.333  -5.129
   40    HB2  LEU   7           HB2      LEU   7  -3.206  -3.542  -4.118
   41    HB3  LEU   7           HB1      LEU   7  -3.572  -5.230  -4.242
   42    HG   LEU   7           HG       LEU   7  -4.133  -3.561  -6.621
   43   HD11  LEU   7          HD11      LEU   7  -2.058  -2.676  -6.468
   44   HD12  LEU   7          HD12      LEU   7  -1.614  -4.229  -7.176
   45   HD13  LEU   7          HD13      LEU   7  -1.461  -3.976  -5.438
   46   HD21  LEU   7          HD21      LEU   7  -4.548  -5.634  -7.326
   47   HD22  LEU   7          HD22      LEU   7  -3.708  -6.361  -5.960
   48   HD23  LEU   7          HD23      LEU   7  -2.798  -5.840  -7.374
   49    HA   PRO   8           HA       PRO   8  -6.882  -6.316  -1.311
   50    HB2  PRO   8           HB2      PRO   8  -6.239  -8.871  -1.606
   51    HB3  PRO   8           HB1      PRO   8  -7.432  -8.108  -2.668
   52    HG2  PRO   8           HG2      PRO   8  -4.574  -8.748  -3.168
   53    HG3  PRO   8           HG1      PRO   8  -5.966  -8.895  -4.254
   54    HD2  PRO   8           HD2      PRO   8  -4.146  -6.800  -4.227
   55    HD3  PRO   8           HD1      PRO   8  -5.735  -6.719  -4.978
   56    H    LYS   9           HN       LYS   9  -6.156  -7.548   0.532
   57    HA   LYS   9           HA       LYS   9  -3.932  -6.454   1.751
   58    HB2  LYS   9           HB2      LYS   9  -5.193  -9.113   2.431
   59    HB3  LYS   9           HB1      LYS   9  -4.229  -8.108   3.505
   60    HG2  LYS   9           HG2      LYS   9  -6.628  -6.868   2.294
   61    HG3  LYS   9           HG1      LYS   9  -6.886  -8.104   3.528
   62    HD2  LYS   9           HD2      LYS   9  -5.035  -5.763   3.919
   63    HD3  LYS   9           HD1      LYS   9  -6.745  -5.714   4.352
   64    HE2  LYS   9           HE2      LYS   9  -4.924  -7.874   5.364
   65    HE3  LYS   9           HE1      LYS   9  -5.056  -6.319   6.184
   66    HZ1  LYS   9           HZ1      LYS   9  -7.089  -8.424   5.866
   67    HZ2  LYS   9           HZ2      LYS   9  -7.573  -6.820   6.098
   68    HZ3  LYS   9           HZ3      LYS   9  -6.621  -7.593   7.263
   69    H    SER  10           HN       SER  10  -4.063  -9.126  -0.431
   70    HA   SER  10           HA       SER  10  -1.581 -10.304   0.396
   71    HB2  SER  10           HB2      SER  10  -2.810 -10.757  -2.303
   72    HB3  SER  10           HB1      SER  10  -1.933 -11.890  -1.275
   73    HG   SER  10           HG       SER  10  -4.602 -11.183  -1.262
   74    H    GLU  11           HN       GLU  11  -2.459  -7.674  -1.662
   75    HA   GLU  11           HA       GLU  11   0.117  -7.747  -3.055
   76    HB2  GLU  11           HB2      GLU  11  -2.539  -6.703  -3.569
   77    HB3  GLU  11           HB1      GLU  11  -1.305  -5.495  -3.872
   78    HG2  GLU  11           HG2      GLU  11  -0.649  -8.092  -5.006
   79    HG3  GLU  11           HG1      GLU  11  -2.176  -7.446  -5.611
   80    H    CYS  12           HN       CYS  12  -1.795  -5.782  -0.881
   81    HA   CYS  12           HA       CYS  12   0.356  -3.826  -0.674
   82    HB2  CYS  12           HB2      CYS  12  -2.543  -3.882  -0.067
   83    HB3  CYS  12           HB1      CYS  12  -1.541  -2.805   0.916
   84    H    THR  13           HN       THR  13   1.896  -4.328   0.698
   85    HA   THR  13           HA       THR  13   1.134  -5.484   3.301
   86    HB   THR  13           HB       THR  13   3.532  -6.407   3.267
   87    HG1  THR  13           HG1      THR  13   4.647  -6.279   1.478
   88   HG21  THR  13          HG21      THR  13   1.846  -7.527   1.044
   89   HG22  THR  13          HG22      THR  13   1.437  -7.753   2.748
   90   HG23  THR  13          HG23      THR  13   2.963  -8.373   2.119
   91    H    GLN  14           HN       GLN  14   2.060  -4.599   5.145
   92    HA   GLN  14           HA       GLN  14   2.653  -1.911   5.218
   93    HB2  GLN  14           HB2      GLN  14   3.474  -4.148   7.067
   94    HB3  GLN  14           HB1      GLN  14   3.859  -2.467   7.410
   95    HG2  GLN  14           HG2      GLN  14   1.904  -2.868   8.605
   96    HG3  GLN  14           HG1      GLN  14   1.362  -2.021   7.157
   97   HE21  GLN  14          HE21      GLN  14   0.108  -3.091   5.656
   98   HE22  GLN  14          HE22      GLN  14  -0.576  -4.650   5.947
   99    H    PHE  15           HN       PHE  15   4.683  -4.593   4.438
  100    HA   PHE  15           HA       PHE  15   7.218  -3.421   4.669
  101    HB2  PHE  15           HB2      PHE  15   6.020  -5.784   3.427
  102    HB3  PHE  15           HB1      PHE  15   7.415  -5.184   2.550
  103    HD1  PHE  15           HD2      PHE  15   9.579  -4.874   3.819
  104    HD2  PHE  15           HD1      PHE  15   6.262  -7.024   5.393
  105    HE1  PHE  15           HE2      PHE  15  11.068  -5.973   5.435
  106    HE2  PHE  15           HE1      PHE  15   7.745  -8.130   7.017
  107    HZ   PHE  15           HZ       PHE  15  10.152  -7.605   7.039
  108    H    ARG  16           HN       ARG  16   4.843  -3.439   2.064
  109    HA   ARG  16           HA       ARG  16   6.357  -2.331   0.019
  110    HB2  ARG  16           HB2      ARG  16   3.423  -1.897   0.601
  111    HB3  ARG  16           HB1      ARG  16   4.212  -1.584  -0.932
  112    HG2  ARG  16           HG2      ARG  16   4.134  -4.276   0.369
  113    HG3  ARG  16           HG1      ARG  16   2.944  -3.719  -0.807
  114    HD2  ARG  16           HD2      ARG  16   4.355  -4.718  -2.267
  115    HD3  ARG  16           HD1      ARG  16   5.201  -3.176  -2.152
  116    HE   ARG  16           HE       ARG  16   6.912  -4.229  -1.046
  117   HH11  ARG  16          HH11      ARG  16   4.143  -6.350  -1.149
  118   HH12  ARG  16          HH12      ARG  16   5.013  -7.720  -0.546
  119   HH21  ARG  16          HH21      ARG  16   8.058  -6.030  -0.251
  120   HH22  ARG  16          HH22      ARG  16   7.235  -7.539  -0.035
  121    H    CYS  17           HN       CYS  17   4.432  -0.629   2.492
  122    HA   CYS  17           HA       CYS  17   5.144   1.940   1.524
  123    HB2  CYS  17           HB2      CYS  17   3.872   0.929   4.028
  124    HB3  CYS  17           HB1      CYS  17   4.436   2.593   3.950
  125    H    ARG  18           HN       ARG  18   6.725  -0.335   3.530
  126    HA   ARG  18           HA       ARG  18   8.412   1.375   4.995
  127    HB2  ARG  18           HB2      ARG  18   8.069  -1.397   4.706
  128    HB3  ARG  18           HB1      ARG  18   9.753  -1.070   4.260
  129    HG2  ARG  18           HG2      ARG  18   9.232   0.407   6.607
  130    HG3  ARG  18           HG1      ARG  18   8.535  -1.194   6.861
  131    HD2  ARG  18           HD2      ARG  18  10.848  -1.958   5.822
  132    HD3  ARG  18           HD1      ARG  18  11.366  -0.389   6.439
  133    HE   ARG  18           HE       ARG  18   9.937  -1.998   8.354
  134   HH11  ARG  18          HH11      ARG  18  13.063  -1.248   6.992
  135   HH12  ARG  18          HH12      ARG  18  13.938  -1.795   8.382
  136   HH21  ARG  18          HH21      ARG  18  11.087  -2.718  10.182
  137   HH22  ARG  18          HH22      ARG  18  12.817  -2.631  10.193
  138    H    THR  19           HN       THR  19   8.904  -0.414   2.058
  139    HA   THR  19           HA       THR  19  11.288   1.189   1.493
  140    HB   THR  19           HB       THR  19  11.813  -1.036   2.005
  141    HG1  THR  19           HG1      THR  19  13.083  -1.108   0.335
  142   HG21  THR  19          HG21      THR  19   9.680  -1.885   0.076
  143   HG22  THR  19          HG22      THR  19   9.696  -2.078   1.832
  144   HG23  THR  19          HG23      THR  19  10.855  -2.965   0.833
  145    H    SER  20           HN       SER  20   8.299  -0.040   0.097
  146    HA   SER  20           HA       SER  20   8.982   1.124  -2.503
  147    HB2  SER  20           HB2      SER  20   7.066  -0.936  -1.564
  148    HB3  SER  20           HB1      SER  20   6.548   0.053  -2.929
  149    HG   SER  20           HG       SER  20   7.660  -1.727  -3.708
  150    H    MET  21           HN       MET  21   8.403   3.135  -2.945
  151    HA   MET  21           HA       MET  21   6.508   4.554  -1.314
  152    HB2  MET  21           HB2      MET  21   8.501   5.209  -3.366
  153    HB3  MET  21           HB1      MET  21   7.069   6.228  -3.413
  154    HG2  MET  21           HG2      MET  21   7.985   7.448  -1.816
  155    HG3  MET  21           HG1      MET  21   7.742   6.089  -0.723
  156    HE1  MET  21           HE1      MET  21  10.309   7.416  -3.496
  157    HE2  MET  21           HE2      MET  21  11.653   7.682  -2.386
  158    HE3  MET  21           HE3      MET  21  10.122   8.520  -2.133
  159    H    LYS  22           HN       LYS  22   6.535   3.215  -4.569
  160    HA   LYS  22           HA       LYS  22   4.275   4.474  -5.601
  161    HB2  LYS  22           HB2      LYS  22   5.794   3.201  -6.997
  162    HB3  LYS  22           HB1      LYS  22   5.363   1.714  -6.165
  163    HG2  LYS  22           HG2      LYS  22   2.981   2.165  -6.979
  164    HG3  LYS  22           HG1      LYS  22   3.718   3.337  -8.073
  165    HD2  LYS  22           HD2      LYS  22   4.960   0.659  -7.996
  166    HD3  LYS  22           HD1      LYS  22   3.342   0.746  -8.694
  167    HE2  LYS  22           HE2      LYS  22   4.174   1.574 -10.580
  168    HE3  LYS  22           HE1      LYS  22   4.898   2.918  -9.698
  169    HZ1  LYS  22           HZ1      LYS  22   6.693   1.144  -9.132
  170    HZ2  LYS  22           HZ2      LYS  22   6.728   1.936 -10.626
  171    HZ3  LYS  22           HZ3      LYS  22   6.104   0.368 -10.515
  172    H    TYR  23           HN       TYR  23   4.464   1.291  -4.017
  173    HA   TYR  23           HA       TYR  23   1.788   0.601  -4.146
  174    HB2  TYR  23           HB2      TYR  23   3.975  -0.083  -2.216
  175    HB3  TYR  23           HB1      TYR  23   2.343  -0.692  -1.968
  176    HD1  TYR  23           HD1      TYR  23   4.373  -0.258  -5.064
  177    HD2  TYR  23           HD2      TYR  23   2.346  -2.934  -2.462
  178    HE1  TYR  23           HE1      TYR  23   4.845  -2.113  -6.615
  179    HE2  TYR  23           HE2      TYR  23   2.810  -4.794  -3.990
  180    HH   TYR  23           HH       TYR  23   4.657  -5.266  -5.816
  181    H    ARG  24           HN       ARG  24   3.343   2.867  -2.056
  182    HA   ARG  24           HA       ARG  24   1.325   2.897  -0.032
  183    HB2  ARG  24           HB2      ARG  24   3.027   5.291  -0.432
  184    HB3  ARG  24           HB1      ARG  24   2.616   4.443   1.048
  185    HG2  ARG  24           HG2      ARG  24   4.155   2.605   0.268
  186    HG3  ARG  24           HG1      ARG  24   4.695   3.717  -0.987
  187    HD2  ARG  24           HD2      ARG  24   5.270   5.356   0.785
  188    HD3  ARG  24           HD1      ARG  24   4.867   4.135   1.991
  189    HE   ARG  24           HE       ARG  24   6.670   2.808   0.600
  190   HH11  ARG  24          HH11      ARG  24   6.730   6.140   1.670
  191   HH12  ARG  24          HH12      ARG  24   8.457   6.211   1.747
  192   HH21  ARG  24          HH21      ARG  24   8.941   2.912   0.711
  193   HH22  ARG  24          HH22      ARG  24   9.711   4.382   1.205
  194    H    LEU  25           HN       LEU  25   2.211   5.401  -2.398
  195    HA   LEU  25           HA       LEU  25  -0.393   6.647  -2.015
  196    HB2  LEU  25           HB2      LEU  25   1.829   7.617  -3.786
  197    HB3  LEU  25           HB1      LEU  25   0.528   8.552  -3.066
  198    HG   LEU  25           HG       LEU  25   2.261   9.184  -1.711
  199   HD11  LEU  25          HD11      LEU  25   1.955   6.772  -0.052
  200   HD12  LEU  25          HD12      LEU  25   0.452   7.580  -0.499
  201   HD13  LEU  25          HD13      LEU  25   1.713   8.472   0.350
  202   HD21  LEU  25          HD21      LEU  25   3.498   6.813  -2.739
  203   HD22  LEU  25          HD22      LEU  25   3.766   6.927  -0.999
  204   HD23  LEU  25          HD23      LEU  25   4.242   8.256  -2.055
  205    H    ASN  26           HN       ASN  26   1.505   5.161  -4.579
  206    HA   ASN  26           HA       ASN  26  -0.308   5.798  -6.662
  207    HB2  ASN  26           HB2      ASN  26   2.216   5.078  -6.671
  208    HB3  ASN  26           HB1      ASN  26   1.534   3.462  -6.852
  209   HD21  ASN  26          HD21      ASN  26   3.101   5.160  -8.700
  210   HD22  ASN  26          HD22      ASN  26   2.153   5.261 -10.141
  211    H    LEU  27           HN       LEU  27   0.059   2.933  -4.598
  212    HA   LEU  27           HA       LEU  27  -2.212   1.712  -5.994
  213    HB2  LEU  27           HB2      LEU  27  -0.058   0.636  -4.230
  214    HB3  LEU  27           HB1      LEU  27  -1.576  -0.230  -4.337
  215    HG   LEU  27           HG       LEU  27  -1.282  -0.350  -6.807
  216   HD11  LEU  27          HD11      LEU  27   1.486   0.675  -6.206
  217   HD12  LEU  27          HD12      LEU  27   0.219   1.581  -7.033
  218   HD13  LEU  27          HD13      LEU  27   0.884   0.122  -7.769
  219   HD21  LEU  27          HD21      LEU  27   0.156  -2.205  -6.731
  220   HD22  LEU  27          HD22      LEU  27  -0.578  -2.123  -5.130
  221   HD23  LEU  27          HD23      LEU  27   1.071  -1.545  -5.375
  222    H    CYS  28           HN       CYS  28  -1.932   0.537  -2.805
  223    HA   CYS  28           HA       CYS  28  -4.450   1.804  -2.103
  224    HB2  CYS  28           HB2      CYS  28  -4.402   0.275  -0.213
  225    HB3  CYS  28           HB1      CYS  28  -4.035  -0.603  -1.701
  226    H    LYS  29           HN       LYS  29  -4.764   3.079  -0.298
  227    HA   LYS  29           HA       LYS  29  -2.489   4.655   0.506
  228    HB2  LYS  29           HB2      LYS  29  -5.442   4.866   1.052
  229    HB3  LYS  29           HB1      LYS  29  -4.262   5.920   1.826
  230    HG2  LYS  29           HG2      LYS  29  -4.121   5.688  -1.121
  231    HG3  LYS  29           HG1      LYS  29  -5.502   6.558  -0.443
  232    HD2  LYS  29           HD2      LYS  29  -2.884   7.241   0.719
  233    HD3  LYS  29           HD1      LYS  29  -3.099   7.689  -0.974
  234    HE2  LYS  29           HE2      LYS  29  -5.293   8.744  -0.268
  235    HE3  LYS  29           HE1      LYS  29  -4.753   8.523   1.396
  236    HZ1  LYS  29           HZ1      LYS  29  -3.586  10.245  -0.701
  237    HZ2  LYS  29           HZ2      LYS  29  -2.682   9.778   0.650
  238    HZ3  LYS  29           HZ3      LYS  29  -4.103  10.674   0.852
  239    H    LYS  30           HN       LYS  30  -5.048   2.899   2.239
  240    HA   LYS  30           HA       LYS  30  -3.537   2.981   4.682
  241    HB2  LYS  30           HB2      LYS  30  -5.908   3.242   4.817
  242    HB3  LYS  30           HB1      LYS  30  -6.175   1.721   3.975
  243    HG2  LYS  30           HG2      LYS  30  -6.565   1.179   6.191
  244    HG3  LYS  30           HG1      LYS  30  -4.898   0.657   5.931
  245    HD2  LYS  30           HD2      LYS  30  -4.034   2.280   7.258
  246    HD3  LYS  30           HD1      LYS  30  -5.310   3.433   6.865
  247    HE2  LYS  30           HE2      LYS  30  -5.362   2.652   9.223
  248    HE3  LYS  30           HE1      LYS  30  -6.848   2.322   8.334
  249    HZ1  LYS  30           HZ1      LYS  30  -5.572   0.504   9.793
  250    HZ2  LYS  30           HZ2      LYS  30  -4.854   0.212   8.290
  251    HZ3  LYS  30           HZ3      LYS  30  -6.534   0.112   8.457
  252    H    THR  31           HN       THR  31  -4.795   0.263   2.712
  253    HA   THR  31           HA       THR  31  -3.836  -1.798   4.210
  254    HB   THR  31           HB       THR  31  -3.915  -1.720   1.198
  255    HG1  THR  31           HG1      THR  31  -5.997  -2.698   1.608
  256   HG21  THR  31          HG21      THR  31  -2.700  -3.658   2.296
  257   HG22  THR  31          HG22      THR  31  -4.030  -4.048   1.202
  258   HG23  THR  31          HG23      THR  31  -4.272  -4.118   2.946
  259    H    CYS  32           HN       CYS  32  -1.952   0.259   2.132
  260    HA   CYS  32           HA       CYS  32   0.340  -1.493   2.118
  261    HB2  CYS  32           HB2      CYS  32   0.228  -0.012   0.274
  262    HB3  CYS  32           HB1      CYS  32  -0.015   1.392   1.306
  263    H    GLY  33           HN       GLY  33  -1.015   0.580   4.378
  264    HA2  GLY  33           HA2      GLY  33  -0.330   0.821   6.598
  265    HA3  GLY  33           HA1      GLY  33   1.246   0.189   6.156
  266    H    THR  34           HN       THR  34  -0.607   2.999   4.959
  267    HA   THR  34           HA       THR  34   1.498   4.744   6.016
  268    HB   THR  34           HB       THR  34   2.217   4.520   3.777
  269    HG1  THR  34           HG1      THR  34   1.883   6.724   4.587
  270   HG21  THR  34          HG21      THR  34   0.094   3.529   2.895
  271   HG22  THR  34          HG22      THR  34   0.900   4.682   1.833
  272   HG23  THR  34          HG23      THR  34  -0.518   5.177   2.753
  273    H    CYS  35           HN       CYS  35  -1.767   4.422   4.726
  274    HA   CYS  35           HA       CYS  35  -2.641   7.044   5.051
  275    HB2  CYS  35           HB2      CYS  35  -3.918   5.192   3.942
  276    HB3  CYS  35           HB1      CYS  35  -4.316   4.579   5.544
  Start of MODEL   12
    1    H1   ALA   2           HT1      ALA   2 -10.041   8.541   5.995
    2    H2   ALA   2           HT2      ALA   2 -11.597   8.508   6.718
    3    H3   ALA   2           HT3      ALA   2 -11.418   9.001   5.084
    4    HA   ALA   2           HA       ALA   2 -10.812   6.327   6.148
    5    HB1  ALA   2           HB1      ALA   2 -13.117   7.150   4.396
    6    HB2  ALA   2           HB2      ALA   2 -13.236   6.977   6.147
    7    HB3  ALA   2           HB3      ALA   2 -12.835   5.580   5.148
    8    H    CYS   3           HN       CYS   3  -9.249   5.461   4.964
    9    HA   CYS   3           HA       CYS   3  -8.882   6.341   2.195
   10    HB2  CYS   3           HB2      CYS   3  -7.041   4.570   3.803
   11    HB3  CYS   3           HB1      CYS   3  -6.671   5.451   2.327
   12    H    LYS   4           HN       LYS   4  -7.972   4.490   0.741
   13    HA   LYS   4           HA       LYS   4  -9.417   1.983   1.193
   14    HB2  LYS   4           HB2      LYS   4  -9.644   3.699  -1.283
   15    HB3  LYS   4           HB1      LYS   4 -10.162   2.020  -1.210
   16    HG2  LYS   4           HG2      LYS   4 -11.221   3.974   0.779
   17    HG3  LYS   4           HG1      LYS   4 -11.880   3.941  -0.858
   18    HD2  LYS   4           HD2      LYS   4 -11.903   1.307  -0.277
   19    HD3  LYS   4           HD1      LYS   4 -12.140   1.985   1.335
   20    HE2  LYS   4           HE2      LYS   4 -14.043   3.273   0.525
   21    HE3  LYS   4           HE1      LYS   4 -13.794   2.640  -1.101
   22    HZ1  LYS   4           HZ1      LYS   4 -15.312   1.146  -0.425
   23    HZ2  LYS   4           HZ2      LYS   4 -14.985   1.368   1.220
   24    HZ3  LYS   4           HZ3      LYS   4 -13.981   0.379   0.285
   25    H    ASP   5           HN       ASP   5  -8.801   0.352  -0.594
   26    HA   ASP   5           HA       ASP   5  -5.953   0.678  -1.209
   27    HB2  ASP   5           HB2      ASP   5  -5.653  -1.722  -0.805
   28    HB3  ASP   5           HB1      ASP   5  -6.265  -0.904   0.628
   29    H    TYR   6           HN       TYR   6  -5.331   0.329  -3.204
   30    HA   TYR   6           HA       TYR   6  -7.264  -0.174  -5.256
   31    HB2  TYR   6           HB2      TYR   6  -4.739   1.050  -5.104
   32    HB3  TYR   6           HB1      TYR   6  -4.529  -0.321  -6.188
   33    HD1  TYR   6           HD2      TYR   6  -7.225   2.215  -5.612
   34    HD2  TYR   6           HD1      TYR   6  -4.663   0.280  -8.404
   35    HE1  TYR   6           HE2      TYR   6  -8.240   3.515  -7.436
   36    HE2  TYR   6           HE1      TYR   6  -5.670   1.575 -10.235
   37    HH   TYR   6           HH       TYR   6  -6.990   4.062 -10.222
   38    H    LEU   7           HN       LEU   7  -5.391  -2.190  -3.293
   39    HA   LEU   7           HA       LEU   7  -5.949  -4.458  -5.058
   40    HB2  LEU   7           HB2      LEU   7  -3.276  -3.602  -4.059
   41    HB3  LEU   7           HB1      LEU   7  -3.598  -5.299  -4.178
   42    HG   LEU   7           HG       LEU   7  -4.203  -3.628  -6.550
   43   HD11  LEU   7          HD11      LEU   7  -1.666  -4.349  -7.090
   44   HD12  LEU   7          HD12      LEU   7  -1.536  -3.991  -5.369
   45   HD13  LEU   7          HD13      LEU   7  -2.129  -2.759  -6.484
   46   HD21  LEU   7          HD21      LEU   7  -2.941  -5.859  -7.409
   47   HD22  LEU   7          HD22      LEU   7  -4.683  -5.731  -7.165
   48   HD23  LEU   7          HD23      LEU   7  -3.668  -6.441  -5.913
   49    HA   PRO   8           HA       PRO   8  -6.876  -6.512  -1.267
   50    HB2  PRO   8           HB2      PRO   8  -6.176  -9.045  -1.599
   51    HB3  PRO   8           HB1      PRO   8  -7.382  -8.296  -2.655
   52    HG2  PRO   8           HG2      PRO   8  -4.503  -8.849  -3.149
   53    HG3  PRO   8           HG1      PRO   8  -5.885  -9.035  -4.241
   54    HD2  PRO   8           HD2      PRO   8  -4.141  -6.881  -4.204
   55    HD3  PRO   8           HD1      PRO   8  -5.739  -6.841  -4.939
   56    H    LYS   9           HN       LYS   9  -6.112  -7.752   0.559
   57    HA   LYS   9           HA       LYS   9  -3.912  -6.626   1.790
   58    HB2  LYS   9           HB2      LYS   9  -5.034  -9.349   2.447
   59    HB3  LYS   9           HB1      LYS   9  -4.187  -8.257   3.535
   60    HG2  LYS   9           HG2      LYS   9  -6.511  -7.005   2.343
   61    HG3  LYS   9           HG1      LYS   9  -6.924  -8.483   3.215
   62    HD2  LYS   9           HD2      LYS   9  -5.942  -7.663   5.226
   63    HD3  LYS   9           HD1      LYS   9  -5.220  -6.290   4.384
   64    HE2  LYS   9           HE2      LYS   9  -7.151  -5.112   4.371
   65    HE3  LYS   9           HE1      LYS   9  -8.151  -6.549   4.166
   66    HZ1  LYS   9           HZ1      LYS   9  -8.684  -6.161   6.293
   67    HZ2  LYS   9           HZ2      LYS   9  -7.317  -5.210   6.589
   68    HZ3  LYS   9           HZ3      LYS   9  -7.202  -6.896   6.647
   69    H    SER  10           HN       SER  10  -3.981  -9.259  -0.441
   70    HA   SER  10           HA       SER  10  -1.464 -10.381   0.369
   71    HB2  SER  10           HB2      SER  10  -3.559 -11.369  -1.037
   72    HB3  SER  10           HB1      SER  10  -2.459 -10.959  -2.353
   73    HG   SER  10           HG       SER  10  -1.449 -12.723  -1.863
   74    H    GLU  11           HN       GLU  11  -2.409  -7.758  -1.670
   75    HA   GLU  11           HA       GLU  11   0.151  -7.806  -3.095
   76    HB2  GLU  11           HB2      GLU  11  -2.518  -6.768  -3.578
   77    HB3  GLU  11           HB1      GLU  11  -1.283  -5.570  -3.914
   78    HG2  GLU  11           HG2      GLU  11  -0.623  -8.163  -5.030
   79    HG3  GLU  11           HG1      GLU  11  -2.187  -7.574  -5.599
   80    H    CYS  12           HN       CYS  12  -1.743  -5.851  -0.895
   81    HA   CYS  12           HA       CYS  12   0.422  -3.904  -0.715
   82    HB2  CYS  12           HB2      CYS  12  -2.477  -3.913  -0.137
   83    HB3  CYS  12           HB1      CYS  12  -1.476  -2.872   0.886
   84    H    THR  13           HN       THR  13   1.948  -4.379   0.660
   85    HA   THR  13           HA       THR  13   1.201  -5.550   3.259
   86    HB   THR  13           HB       THR  13   3.617  -6.448   3.201
   87    HG1  THR  13           HG1      THR  13   3.300  -6.018   0.424
   88   HG21  THR  13          HG21      THR  13   1.900  -7.595   1.015
   89   HG22  THR  13          HG22      THR  13   1.522  -7.813   2.728
   90   HG23  THR  13          HG23      THR  13   3.042  -8.426   2.077
   91    H    GLN  14           HN       GLN  14   2.142  -4.674   5.104
   92    HA   GLN  14           HA       GLN  14   2.703  -1.983   5.197
   93    HB2  GLN  14           HB2      GLN  14   3.571  -4.228   7.012
   94    HB3  GLN  14           HB1      GLN  14   3.945  -2.547   7.369
   95    HG2  GLN  14           HG2      GLN  14   2.008  -2.980   8.583
   96    HG3  GLN  14           HG1      GLN  14   1.442  -2.120   7.152
   97   HE21  GLN  14          HE21      GLN  14   0.194  -3.190   5.639
   98   HE22  GLN  14          HE22      GLN  14  -0.479  -4.755   5.922
   99    H    PHE  15           HN       PHE  15   4.762  -4.628   4.372
  100    HA   PHE  15           HA       PHE  15   7.285  -3.434   4.587
  101    HB2  PHE  15           HB2      PHE  15   6.095  -5.788   3.326
  102    HB3  PHE  15           HB1      PHE  15   7.470  -5.161   2.435
  103    HD1  PHE  15           HD2      PHE  15   9.648  -4.840   3.678
  104    HD2  PHE  15           HD1      PHE  15   6.382  -7.058   5.264
  105    HE1  PHE  15           HE2      PHE  15  11.175  -5.947   5.251
  106    HE2  PHE  15           HE1      PHE  15   7.904  -8.174   6.846
  107    HZ   PHE  15           HZ       PHE  15  10.305  -7.619   6.840
  108    H    ARG  16           HN       ARG  16   4.863  -3.386   2.040
  109    HA   ARG  16           HA       ARG  16   6.366  -2.256  -0.013
  110    HB2  ARG  16           HB2      ARG  16   3.435  -1.795   0.557
  111    HB3  ARG  16           HB1      ARG  16   4.237  -1.583  -0.984
  112    HG2  ARG  16           HG2      ARG  16   4.060  -4.195   0.461
  113    HG3  ARG  16           HG1      ARG  16   2.927  -3.670  -0.783
  114    HD2  ARG  16           HD2      ARG  16   4.321  -4.706  -2.201
  115    HD3  ARG  16           HD1      ARG  16   5.331  -3.274  -2.008
  116    HE   ARG  16           HE       ARG  16   6.155  -4.833   0.018
  117   HH11  ARG  16          HH11      ARG  16   5.694  -5.477  -3.382
  118   HH12  ARG  16          HH12      ARG  16   6.931  -6.686  -3.448
  119   HH21  ARG  16          HH21      ARG  16   7.782  -6.423  -0.069
  120   HH22  ARG  16          HH22      ARG  16   8.116  -7.224  -1.568
  121    H    CYS  17           HN       CYS  17   4.458  -0.614   2.515
  122    HA   CYS  17           HA       CYS  17   5.127   1.977   1.567
  123    HB2  CYS  17           HB2      CYS  17   3.892   0.925   4.072
  124    HB3  CYS  17           HB1      CYS  17   4.440   2.595   4.008
  125    H    ARG  18           HN       ARG  18   6.741  -0.303   3.552
  126    HA   ARG  18           HA       ARG  18   8.425   1.388   5.028
  127    HB2  ARG  18           HB2      ARG  18   8.121  -1.373   4.680
  128    HB3  ARG  18           HB1      ARG  18   9.787  -1.019   4.186
  129    HG2  ARG  18           HG2      ARG  18   8.551  -0.210   6.827
  130    HG3  ARG  18           HG1      ARG  18   9.561  -1.636   6.574
  131    HD2  ARG  18           HD2      ARG  18  11.471  -0.386   6.234
  132    HD3  ARG  18           HD1      ARG  18  10.571   1.047   5.742
  133    HE   ARG  18           HE       ARG  18  10.546   1.707   7.922
  134   HH11  ARG  18          HH11      ARG  18  11.136  -1.731   7.829
  135   HH12  ARG  18          HH12      ARG  18  11.395  -1.859   9.537
  136   HH21  ARG  18          HH21      ARG  18  10.886   1.541  10.168
  137   HH22  ARG  18          HH22      ARG  18  11.253  -0.002  10.864
  138    H    THR  19           HN       THR  19   8.925  -0.304   2.032
  139    HA   THR  19           HA       THR  19  11.275   1.360   1.507
  140    HB   THR  19           HB       THR  19  11.852  -0.864   1.946
  141    HG1  THR  19           HG1      THR  19  13.100  -0.521   0.253
  142   HG21  THR  19          HG21      THR  19   9.716  -1.708   0.019
  143   HG22  THR  19          HG22      THR  19   9.757  -1.949   1.770
  144   HG23  THR  19          HG23      THR  19  10.922  -2.782   0.733
  145    H    SER  20           HN       SER  20   8.303   0.125   0.074
  146    HA   SER  20           HA       SER  20   8.974   1.427  -2.470
  147    HB2  SER  20           HB2      SER  20   7.990  -1.012  -2.150
  148    HB3  SER  20           HB1      SER  20   6.458  -0.140  -2.120
  149    HG   SER  20           HG       SER  20   7.194  -0.843  -4.241
  150    H    MET  21           HN       MET  21   8.249   3.398  -2.877
  151    HA   MET  21           HA       MET  21   6.253   4.637  -1.215
  152    HB2  MET  21           HB2      MET  21   8.205   5.496  -3.229
  153    HB3  MET  21           HB1      MET  21   6.702   6.406  -3.262
  154    HG2  MET  21           HG2      MET  21   8.248   5.964  -0.732
  155    HG3  MET  21           HG1      MET  21   8.578   7.310  -1.821
  156    HE1  MET  21           HE1      MET  21   7.519   9.101  -2.211
  157    HE2  MET  21           HE2      MET  21   6.910   9.911  -0.768
  158    HE3  MET  21           HE3      MET  21   5.792   9.415  -2.038
  159    H    LYS  22           HN       LYS  22   6.422   3.473  -4.542
  160    HA   LYS  22           HA       LYS  22   4.099   4.556  -5.573
  161    HB2  LYS  22           HB2      LYS  22   5.978   2.950  -6.572
  162    HB3  LYS  22           HB1      LYS  22   4.734   1.741  -6.288
  163    HG2  LYS  22           HG2      LYS  22   3.687   4.107  -7.600
  164    HG3  LYS  22           HG1      LYS  22   4.989   3.345  -8.516
  165    HD2  LYS  22           HD2      LYS  22   2.881   1.588  -7.378
  166    HD3  LYS  22           HD1      LYS  22   2.455   2.589  -8.767
  167    HE2  LYS  22           HE2      LYS  22   5.021   1.234  -9.064
  168    HE3  LYS  22           HE1      LYS  22   3.668   0.121  -8.864
  169    HZ1  LYS  22           HZ1      LYS  22   3.994   0.594 -11.181
  170    HZ2  LYS  22           HZ2      LYS  22   3.902   2.261 -10.910
  171    HZ3  LYS  22           HZ3      LYS  22   2.534   1.291 -10.685
  172    H    TYR  23           HN       TYR  23   4.429   1.378  -3.997
  173    HA   TYR  23           HA       TYR  23   1.782   0.577  -4.137
  174    HB2  TYR  23           HB2      TYR  23   3.995  -0.028  -2.211
  175    HB3  TYR  23           HB1      TYR  23   2.388  -0.698  -1.959
  176    HD1  TYR  23           HD1      TYR  23   4.408  -0.186  -5.049
  177    HD2  TYR  23           HD2      TYR  23   2.455  -2.935  -2.469
  178    HE1  TYR  23           HE1      TYR  23   4.940  -2.018  -6.609
  179    HE2  TYR  23           HE2      TYR  23   2.978  -4.773  -4.005
  180    HH   TYR  23           HH       TYR  23   5.235  -4.673  -6.297
  181    H    ARG  24           HN       ARG  24   3.252   2.890  -2.037
  182    HA   ARG  24           HA       ARG  24   1.206   2.850  -0.034
  183    HB2  ARG  24           HB2      ARG  24   2.895   5.265  -0.378
  184    HB3  ARG  24           HB1      ARG  24   2.446   4.412   1.088
  185    HG2  ARG  24           HG2      ARG  24   4.026   2.602   0.410
  186    HG3  ARG  24           HG1      ARG  24   4.561   3.646  -0.903
  187    HD2  ARG  24           HD2      ARG  24   5.099   5.388   0.799
  188    HD3  ARG  24           HD1      ARG  24   4.745   4.199   2.051
  189    HE   ARG  24           HE       ARG  24   6.569   2.879   0.663
  190   HH11  ARG  24          HH11      ARG  24   6.546   6.232   1.667
  191   HH12  ARG  24          HH12      ARG  24   8.271   6.349   1.739
  192   HH21  ARG  24          HH21      ARG  24   8.837   3.043   0.767
  193   HH22  ARG  24          HH22      ARG  24   9.570   4.542   1.230
  194    H    LEU  25           HN       LEU  25   2.104   5.388  -2.360
  195    HA   LEU  25           HA       LEU  25  -0.514   6.610  -2.002
  196    HB2  LEU  25           HB2      LEU  25   1.715   7.605  -3.750
  197    HB3  LEU  25           HB1      LEU  25   0.404   8.527  -3.031
  198    HG   LEU  25           HG       LEU  25   2.130   9.163  -1.667
  199   HD11  LEU  25          HD11      LEU  25   1.552   8.457   0.382
  200   HD12  LEU  25          HD12      LEU  25   1.843   6.761  -0.002
  201   HD13  LEU  25          HD13      LEU  25   0.325   7.525  -0.474
  202   HD21  LEU  25          HD21      LEU  25   3.630   6.892  -0.961
  203   HD22  LEU  25          HD22      LEU  25   4.120   8.245  -1.979
  204   HD23  LEU  25          HD23      LEU  25   3.389   6.817  -2.707
  205    H    ASN  26           HN       ASN  26   1.421   5.144  -4.549
  206    HA   ASN  26           HA       ASN  26  -0.373   5.773  -6.652
  207    HB2  ASN  26           HB2      ASN  26   2.155   5.090  -6.643
  208    HB3  ASN  26           HB1      ASN  26   1.504   3.460  -6.817
  209   HD21  ASN  26          HD21      ASN  26   2.869   5.692  -8.559
  210   HD22  ASN  26          HD22      ASN  26   2.007   5.563 -10.050
  211    H    LEU  27           HN       LEU  27  -0.008   2.894  -4.599
  212    HA   LEU  27           HA       LEU  27  -2.249   1.667  -6.041
  213    HB2  LEU  27           HB2      LEU  27  -0.067   0.592  -4.326
  214    HB3  LEU  27           HB1      LEU  27  -1.586  -0.280  -4.366
  215    HG   LEU  27           HG       LEU  27  -1.388  -0.417  -6.846
  216   HD11  LEU  27          HD11      LEU  27   1.359   0.702  -6.319
  217   HD12  LEU  27          HD12      LEU  27   0.064   1.479  -7.231
  218   HD13  LEU  27          HD13      LEU  27   0.813   0.005  -7.844
  219   HD21  LEU  27          HD21      LEU  27   1.029  -1.599  -5.518
  220   HD22  LEU  27          HD22      LEU  27   0.036  -2.275  -6.809
  221   HD23  LEU  27          HD23      LEU  27  -0.603  -2.168  -5.168
  222    H    CYS  28           HN       CYS  28  -1.905   0.506  -2.827
  223    HA   CYS  28           HA       CYS  28  -4.485   1.661  -2.139
  224    HB2  CYS  28           HB2      CYS  28  -4.403   0.116  -0.268
  225    HB3  CYS  28           HB1      CYS  28  -3.968  -0.736  -1.753
  226    H    LYS  29           HN       LYS  29  -4.852   2.912  -0.335
  227    HA   LYS  29           HA       LYS  29  -2.649   4.576   0.488
  228    HB2  LYS  29           HB2      LYS  29  -5.604   4.644   1.058
  229    HB3  LYS  29           HB1      LYS  29  -4.467   5.786   1.764
  230    HG2  LYS  29           HG2      LYS  29  -4.185   5.564  -1.122
  231    HG3  LYS  29           HG1      LYS  29  -5.802   6.073  -0.628
  232    HD2  LYS  29           HD2      LYS  29  -4.953   8.135  -0.478
  233    HD3  LYS  29           HD1      LYS  29  -4.144   7.576   0.987
  234    HE2  LYS  29           HE2      LYS  29  -2.235   8.124  -0.030
  235    HE3  LYS  29           HE1      LYS  29  -2.485   6.691  -1.027
  236    HZ1  LYS  29           HZ1      LYS  29  -2.092   8.552  -2.444
  237    HZ2  LYS  29           HZ2      LYS  29  -3.283   9.475  -1.676
  238    HZ3  LYS  29           HZ3      LYS  29  -3.723   8.127  -2.598
  239    H    LYS  30           HN       LYS  30  -5.146   2.729   2.207
  240    HA   LYS  30           HA       LYS  30  -3.663   2.846   4.663
  241    HB2  LYS  30           HB2      LYS  30  -6.012   3.048   4.843
  242    HB3  LYS  30           HB1      LYS  30  -6.280   1.598   3.886
  243    HG2  LYS  30           HG2      LYS  30  -6.716   0.928   6.069
  244    HG3  LYS  30           HG1      LYS  30  -5.075   0.355   5.762
  245    HD2  LYS  30           HD2      LYS  30  -4.999   1.323   7.899
  246    HD3  LYS  30           HD1      LYS  30  -4.283   2.521   6.820
  247    HE2  LYS  30           HE2      LYS  30  -5.725   3.754   8.194
  248    HE3  LYS  30           HE1      LYS  30  -6.619   3.543   6.689
  249    HZ1  LYS  30           HZ1      LYS  30  -8.140   2.227   7.673
  250    HZ2  LYS  30           HZ2      LYS  30  -7.649   3.032   9.077
  251    HZ3  LYS  30           HZ3      LYS  30  -7.025   1.501   8.718
  252    H    THR  31           HN       THR  31  -4.820   0.104   2.661
  253    HA   THR  31           HA       THR  31  -3.826  -1.936   4.165
  254    HB   THR  31           HB       THR  31  -3.834  -1.855   1.152
  255    HG1  THR  31           HG1      THR  31  -5.904  -2.814   1.448
  256   HG21  THR  31          HG21      THR  31  -4.169  -4.252   2.908
  257   HG22  THR  31          HG22      THR  31  -2.602  -3.760   2.269
  258   HG23  THR  31          HG23      THR  31  -3.913  -4.191   1.166
  259    H    CYS  32           HN       CYS  32  -1.977   0.179   2.112
  260    HA   CYS  32           HA       CYS  32   0.375  -1.483   2.131
  261    HB2  CYS  32           HB2      CYS  32   0.206   0.052   0.314
  262    HB3  CYS  32           HB1      CYS  32  -0.024   1.420   1.396
  263    H    GLY  33           HN       GLY  33  -1.096   0.536   4.374
  264    HA2  GLY  33           HA2      GLY  33  -0.479   0.764   6.617
  265    HA3  GLY  33           HA1      GLY  33   1.128   0.190   6.210
  266    H    THR  34           HN       THR  34  -0.740   2.946   4.916
  267    HA   THR  34           HA       THR  34   1.282   4.734   6.073
  268    HB   THR  34           HB       THR  34   1.997   4.507   3.816
  269    HG1  THR  34           HG1      THR  34   0.473   6.883   3.931
  270   HG21  THR  34          HG21      THR  34  -0.762   5.229   2.893
  271   HG22  THR  34          HG22      THR  34  -0.056   3.613   2.823
  272   HG23  THR  34          HG23      THR  34   0.650   4.926   1.881
  273    H    CYS  35           HN       CYS  35  -1.989   4.283   4.899
  274    HA   CYS  35           HA       CYS  35  -3.020   6.835   5.076
  275    HB2  CYS  35           HB2      CYS  35  -4.411   5.043   4.287
  276    HB3  CYS  35           HB1      CYS  35  -4.299   4.203   5.828
  Start of MODEL   13
    1    H1   ALA   2           HT1      ALA   2 -11.398   9.580   4.460
    2    H2   ALA   2           HT2      ALA   2 -10.215   8.478   5.036
    3    H3   ALA   2           HT3      ALA   2 -11.662   8.729   5.924
    4    HA   ALA   2           HA       ALA   2 -12.041   6.766   4.895
    5    HB1  ALA   2           HB1      ALA   2 -13.488   7.501   2.807
    6    HB2  ALA   2           HB2      ALA   2 -13.212   9.105   3.488
    7    HB3  ALA   2           HB3      ALA   2 -13.995   7.858   4.458
    8    H    CYS   3           HN       CYS   3  -9.803   6.157   4.328
    9    HA   CYS   3           HA       CYS   3  -9.227   6.412   1.459
   10    HB2  CYS   3           HB2      CYS   3  -6.936   5.812   2.005
   11    HB3  CYS   3           HB1      CYS   3  -7.456   7.151   3.022
   12    H    LYS   4           HN       LYS   4  -8.596   4.560   0.249
   13    HA   LYS   4           HA       LYS   4  -9.403   1.985   1.430
   14    HB2  LYS   4           HB2      LYS   4 -10.376   3.328  -1.022
   15    HB3  LYS   4           HB1      LYS   4 -10.043   1.609  -1.171
   16    HG2  LYS   4           HG2      LYS   4 -11.603   2.374   1.197
   17    HG3  LYS   4           HG1      LYS   4 -12.397   2.649  -0.355
   18    HD2  LYS   4           HD2      LYS   4 -11.788   0.271  -0.949
   19    HD3  LYS   4           HD1      LYS   4 -11.312   0.060   0.737
   20    HE2  LYS   4           HE2      LYS   4 -13.443  -0.004   1.462
   21    HE3  LYS   4           HE1      LYS   4 -13.970   1.246   0.336
   22    HZ1  LYS   4           HZ1      LYS   4 -14.684  -1.290   0.114
   23    HZ2  LYS   4           HZ2      LYS   4 -13.275  -1.333  -0.821
   24    HZ3  LYS   4           HZ3      LYS   4 -14.524  -0.267  -1.224
   25    H    ASP   5           HN       ASP   5  -8.808   0.260  -0.526
   26    HA   ASP   5           HA       ASP   5  -5.967   0.729  -1.052
   27    HB2  ASP   5           HB2      ASP   5  -5.607  -1.687  -0.685
   28    HB3  ASP   5           HB1      ASP   5  -6.232  -0.874   0.747
   29    H    TYR   6           HN       TYR   6  -5.236   0.381  -3.008
   30    HA   TYR   6           HA       TYR   6  -7.013  -0.050  -5.184
   31    HB2  TYR   6           HB2      TYR   6  -4.302   0.847  -4.800
   32    HB3  TYR   6           HB1      TYR   6  -4.344  -0.359  -6.080
   33    HD1  TYR   6           HD1      TYR   6  -6.852   2.242  -5.147
   34    HD2  TYR   6           HD2      TYR   6  -4.116   0.808  -8.073
   35    HE1  TYR   6           HE1      TYR   6  -7.655   3.948  -6.726
   36    HE2  TYR   6           HE2      TYR   6  -4.910   2.510  -9.659
   37    HH   TYR   6           HH       TYR   6  -6.652   5.159  -8.796
   38    H    LEU   7           HN       LEU   7  -5.292  -2.165  -3.143
   39    HA   LEU   7           HA       LEU   7  -5.991  -4.417  -4.860
   40    HB2  LEU   7           HB2      LEU   7  -3.231  -3.651  -4.034
   41    HB3  LEU   7           HB1      LEU   7  -3.620  -5.334  -4.178
   42    HG   LEU   7           HG       LEU   7  -4.404  -3.679  -6.479
   43   HD11  LEU   7          HD11      LEU   7  -2.405  -2.579  -6.317
   44   HD12  LEU   7          HD12      LEU   7  -1.940  -3.985  -7.275
   45   HD13  LEU   7          HD13      LEU   7  -1.595  -3.942  -5.547
   46   HD21  LEU   7          HD21      LEU   7  -4.492  -5.692  -7.402
   47   HD22  LEU   7          HD22      LEU   7  -3.948  -6.406  -5.886
   48   HD23  LEU   7          HD23      LEU   7  -2.771  -5.925  -7.106
   49    HA   PRO   8           HA       PRO   8  -6.704  -6.407  -0.984
   50    HB2  PRO   8           HB2      PRO   8  -6.115  -8.967  -1.337
   51    HB3  PRO   8           HB1      PRO   8  -7.372  -8.184  -2.305
   52    HG2  PRO   8           HG2      PRO   8  -4.569  -8.862  -3.017
   53    HG3  PRO   8           HG1      PRO   8  -6.038  -8.976  -4.000
   54    HD2  PRO   8           HD2      PRO   8  -4.182  -6.908  -4.079
   55    HD3  PRO   8           HD1      PRO   8  -5.813  -6.802  -4.730
   56    H    LYS   9           HN       LYS   9  -5.859  -7.661   0.795
   57    HA   LYS   9           HA       LYS   9  -3.562  -6.603   1.883
   58    HB2  LYS   9           HB2      LYS   9  -4.605  -9.337   2.602
   59    HB3  LYS   9           HB1      LYS   9  -3.768  -8.193   3.643
   60    HG2  LYS   9           HG2      LYS   9  -6.089  -6.916   2.624
   61    HG3  LYS   9           HG1      LYS   9  -6.554  -8.506   3.231
   62    HD2  LYS   9           HD2      LYS   9  -5.191  -7.900   5.314
   63    HD3  LYS   9           HD1      LYS   9  -5.234  -6.245   4.704
   64    HE2  LYS   9           HE2      LYS   9  -7.080  -6.276   6.083
   65    HE3  LYS   9           HE1      LYS   9  -7.798  -6.676   4.523
   66    HZ1  LYS   9           HZ1      LYS   9  -8.581  -8.119   6.322
   67    HZ2  LYS   9           HZ2      LYS   9  -7.001  -8.662   6.583
   68    HZ3  LYS   9           HZ3      LYS   9  -7.777  -8.995   5.118
   69    H    SER  10           HN       SER  10  -3.845  -9.267  -0.314
   70    HA   SER  10           HA       SER  10  -1.306 -10.438   0.271
   71    HB2  SER  10           HB2      SER  10  -2.689 -10.781  -2.367
   72    HB3  SER  10           HB1      SER  10  -1.772 -11.959  -1.427
   73    HG   SER  10           HG       SER  10  -4.390 -11.562  -1.438
   74    H    GLU  11           HN       GLU  11  -2.350  -7.780  -1.698
   75    HA   GLU  11           HA       GLU  11   0.177  -7.752  -3.181
   76    HB2  GLU  11           HB2      GLU  11  -2.528  -6.732  -3.561
   77    HB3  GLU  11           HB1      GLU  11  -1.300  -5.549  -3.963
   78    HG2  GLU  11           HG2      GLU  11  -0.806  -8.213  -5.066
   79    HG3  GLU  11           HG1      GLU  11  -2.299  -7.460  -5.635
   80    H    CYS  12           HN       CYS  12  -1.716  -5.869  -0.917
   81    HA   CYS  12           HA       CYS  12   0.409  -3.874  -0.743
   82    HB2  CYS  12           HB2      CYS  12  -2.486  -3.951  -0.155
   83    HB3  CYS  12           HB1      CYS  12  -1.507  -2.906   0.883
   84    H    THR  13           HN       THR  13   1.963  -4.398   0.613
   85    HA   THR  13           HA       THR  13   1.219  -5.570   3.214
   86    HB   THR  13           HB       THR  13   3.613  -6.496   3.159
   87    HG1  THR  13           HG1      THR  13   4.699  -5.713   1.549
   88   HG21  THR  13          HG21      THR  13   1.514  -7.831   2.622
   89   HG22  THR  13          HG22      THR  13   3.041  -8.447   1.992
   90   HG23  THR  13          HG23      THR  13   1.928  -7.588   0.923
   91    H    GLN  14           HN       GLN  14   2.193  -4.729   5.064
   92    HA   GLN  14           HA       GLN  14   2.771  -2.041   5.190
   93    HB2  GLN  14           HB2      GLN  14   4.034  -4.107   6.999
   94    HB3  GLN  14           HB1      GLN  14   3.670  -2.430   7.385
   95    HG2  GLN  14           HG2      GLN  14   1.733  -4.691   6.977
   96    HG3  GLN  14           HG1      GLN  14   2.036  -3.771   8.450
   97   HE21  GLN  14          HE21      GLN  14   0.276  -3.948   5.521
   98   HE22  GLN  14          HE22      GLN  14  -0.624  -2.486   5.710
   99    H    PHE  15           HN       PHE  15   4.799  -4.697   4.315
  100    HA   PHE  15           HA       PHE  15   7.334  -3.533   4.492
  101    HB2  PHE  15           HB2      PHE  15   6.092  -5.852   3.218
  102    HB3  PHE  15           HB1      PHE  15   7.456  -5.227   2.309
  103    HD1  PHE  15           HD2      PHE  15   9.664  -4.961   3.505
  104    HD2  PHE  15           HD1      PHE  15   6.401  -7.148   5.139
  105    HE1  PHE  15           HE2      PHE  15  11.209  -6.110   5.030
  106    HE2  PHE  15           HE1      PHE  15   7.941  -8.305   6.673
  107    HZ   PHE  15           HZ       PHE  15  10.349  -7.787   6.619
  108    H    ARG  16           HN       ARG  16   4.901  -3.482   1.942
  109    HA   ARG  16           HA       ARG  16   6.379  -2.305  -0.092
  110    HB2  ARG  16           HB2      ARG  16   3.450  -1.853   0.497
  111    HB3  ARG  16           HB1      ARG  16   4.247  -1.629  -1.046
  112    HG2  ARG  16           HG2      ARG  16   4.004  -4.242   0.395
  113    HG3  ARG  16           HG1      ARG  16   2.962  -3.707  -0.922
  114    HD2  ARG  16           HD2      ARG  16   4.491  -4.226  -2.478
  115    HD3  ARG  16           HD1      ARG  16   5.809  -3.524  -1.543
  116    HE   ARG  16           HE       ARG  16   4.975  -5.978  -0.404
  117   HH11  ARG  16          HH11      ARG  16   6.766  -4.672  -3.100
  118   HH12  ARG  16          HH12      ARG  16   7.766  -6.075  -3.276
  119   HH21  ARG  16          HH21      ARG  16   6.289  -7.824  -0.635
  120   HH22  ARG  16          HH22      ARG  16   7.495  -7.864  -1.878
  121    H    CYS  17           HN       CYS  17   4.471  -0.705   2.460
  122    HA   CYS  17           HA       CYS  17   5.100   1.903   1.554
  123    HB2  CYS  17           HB2      CYS  17   3.952   0.791   4.074
  124    HB3  CYS  17           HB1      CYS  17   4.483   2.467   4.031
  125    H    ARG  18           HN       ARG  18   6.797  -0.390   3.454
  126    HA   ARG  18           HA       ARG  18   8.519   1.316   4.881
  127    HB2  ARG  18           HB2      ARG  18   8.201  -1.451   4.559
  128    HB3  ARG  18           HB1      ARG  18   9.856  -1.099   4.030
  129    HG2  ARG  18           HG2      ARG  18   9.270   0.293   6.483
  130    HG3  ARG  18           HG1      ARG  18   8.903  -1.424   6.657
  131    HD2  ARG  18           HD2      ARG  18  11.069  -2.041   6.472
  132    HD3  ARG  18           HD1      ARG  18  11.434  -0.786   5.289
  133    HE   ARG  18           HE       ARG  18  12.234   0.478   7.001
  134   HH11  ARG  18          HH11      ARG  18   9.943  -1.799   8.324
  135   HH12  ARG  18          HH12      ARG  18  10.209  -1.305   9.962
  136   HH21  ARG  18          HH21      ARG  18  12.584   1.129   9.154
  137   HH22  ARG  18          HH22      ARG  18  11.708   0.358  10.434
  138    H    THR  19           HN       THR  19   8.924  -0.405   1.888
  139    HA   THR  19           HA       THR  19  11.263   1.243   1.273
  140    HB   THR  19           HB       THR  19  11.847  -0.977   1.714
  141    HG1  THR  19           HG1      THR  19  11.633  -0.774  -1.120
  142   HG21  THR  19          HG21      THR  19   9.738  -2.050   1.618
  143   HG22  THR  19          HG22      THR  19  10.871  -2.906   0.564
  144   HG23  THR  19          HG23      THR  19   9.649  -1.839  -0.133
  145    H    SER  20           HN       SER  20   8.234   0.029  -0.037
  146    HA   SER  20           HA       SER  20   8.820   1.286  -2.623
  147    HB2  SER  20           HB2      SER  20   7.801  -1.133  -2.216
  148    HB3  SER  20           HB1      SER  20   6.291  -0.224  -2.161
  149    HG   SER  20           HG       SER  20   8.160  -0.397  -4.276
  150    H    MET  21           HN       MET  21   8.132   3.276  -2.995
  151    HA   MET  21           HA       MET  21   6.207   4.554  -1.280
  152    HB2  MET  21           HB2      MET  21   8.123   5.370  -3.346
  153    HB3  MET  21           HB1      MET  21   6.641   6.314  -3.337
  154    HG2  MET  21           HG2      MET  21   6.984   7.000  -1.099
  155    HG3  MET  21           HG1      MET  21   8.289   5.837  -0.873
  156    HE1  MET  21           HE1      MET  21   8.454   9.263  -0.348
  157    HE2  MET  21           HE2      MET  21  10.194   9.199  -0.627
  158    HE3  MET  21           HE3      MET  21   9.393   7.895   0.249
  159    H    LYS  22           HN       LYS  22   6.265   3.361  -4.592
  160    HA   LYS  22           HA       LYS  22   3.948   4.496  -5.589
  161    HB2  LYS  22           HB2      LYS  22   5.537   3.248  -6.959
  162    HB3  LYS  22           HB1      LYS  22   5.078   1.753  -6.157
  163    HG2  LYS  22           HG2      LYS  22   2.672   2.530  -7.034
  164    HG3  LYS  22           HG1      LYS  22   3.691   3.281  -8.264
  165    HD2  LYS  22           HD2      LYS  22   4.744   1.123  -8.715
  166    HD3  LYS  22           HD1      LYS  22   3.745   0.370  -7.470
  167    HE2  LYS  22           HE2      LYS  22   2.510   1.845  -9.769
  168    HE3  LYS  22           HE1      LYS  22   3.015   0.164  -9.934
  169    HZ1  LYS  22           HZ1      LYS  22   0.606   0.931  -9.069
  170    HZ2  LYS  22           HZ2      LYS  22   1.411   0.741  -7.594
  171    HZ3  LYS  22           HZ3      LYS  22   1.319  -0.553  -8.679
  172    H    TYR  23           HN       TYR  23   4.272   1.430  -3.824
  173    HA   TYR  23           HA       TYR  23   1.578   0.657  -3.989
  174    HB2  TYR  23           HB2      TYR  23   3.822  -0.049  -2.132
  175    HB3  TYR  23           HB1      TYR  23   2.203  -0.694  -1.877
  176    HD1  TYR  23           HD2      TYR  23   4.268  -0.142  -4.934
  177    HD2  TYR  23           HD1      TYR  23   2.139  -2.900  -2.504
  178    HE1  TYR  23           HE2      TYR  23   4.735  -1.928  -6.564
  179    HE2  TYR  23           HE1      TYR  23   2.598  -4.694  -4.114
  180    HH   TYR  23           HH       TYR  23   4.196  -5.225  -5.879
  181    H    ARG  24           HN       ARG  24   3.154   2.939  -1.952
  182    HA   ARG  24           HA       ARG  24   1.175   2.900   0.129
  183    HB2  ARG  24           HB2      ARG  24   2.894   5.286  -0.187
  184    HB3  ARG  24           HB1      ARG  24   2.515   4.358   1.252
  185    HG2  ARG  24           HG2      ARG  24   4.045   2.582   0.409
  186    HG3  ARG  24           HG1      ARG  24   4.514   3.682  -0.884
  187    HD2  ARG  24           HD2      ARG  24   5.169   5.341   0.844
  188    HD3  ARG  24           HD1      ARG  24   4.846   4.124   2.077
  189    HE   ARG  24           HE       ARG  24   6.585   2.807   0.599
  190   HH11  ARG  24          HH11      ARG  24   6.664   6.156   1.610
  191   HH12  ARG  24          HH12      ARG  24   8.393   6.243   1.602
  192   HH21  ARG  24          HH21      ARG  24   8.856   2.931   0.600
  193   HH22  ARG  24          HH22      ARG  24   9.636   4.416   1.031
  194    H    LEU  25           HN       LEU  25   2.093   5.457  -2.171
  195    HA   LEU  25           HA       LEU  25  -0.467   6.757  -1.708
  196    HB2  LEU  25           HB2      LEU  25   1.763   7.722  -3.475
  197    HB3  LEU  25           HB1      LEU  25   0.484   8.668  -2.734
  198    HG   LEU  25           HG       LEU  25   2.235   9.232  -1.367
  199   HD11  LEU  25          HD11      LEU  25   1.874   6.799   0.247
  200   HD12  LEU  25          HD12      LEU  25   0.387   7.641  -0.190
  201   HD13  LEU  25          HD13      LEU  25   1.661   8.496   0.676
  202   HD21  LEU  25          HD21      LEU  25   3.411   6.840  -2.434
  203   HD22  LEU  25          HD22      LEU  25   3.688   6.934  -0.694
  204   HD23  LEU  25          HD23      LEU  25   4.191   8.261  -1.740
  205    H    ASN  26           HN       ASN  26   1.364   5.429  -4.445
  206    HA   ASN  26           HA       ASN  26  -0.600   6.130  -6.373
  207    HB2  ASN  26           HB2      ASN  26   1.956   5.479  -6.576
  208    HB3  ASN  26           HB1      ASN  26   1.282   3.875  -6.861
  209   HD21  ASN  26          HD21      ASN  26   2.671   4.868  -8.859
  210   HD22  ASN  26          HD22      ASN  26   1.656   5.425 -10.141
  211    H    LEU  27           HN       LEU  27   0.032   3.185  -4.519
  212    HA   LEU  27           HA       LEU  27  -2.241   1.875  -5.799
  213    HB2  LEU  27           HB2      LEU  27   0.170   0.906  -5.145
  214    HB3  LEU  27           HB1      LEU  27  -0.683   0.530  -3.665
  215    HG   LEU  27           HG       LEU  27  -2.310  -0.791  -4.914
  216   HD11  LEU  27          HD11      LEU  27  -0.935   0.458  -7.205
  217   HD12  LEU  27          HD12      LEU  27  -2.615  -0.047  -7.023
  218   HD13  LEU  27          HD13      LEU  27  -1.370  -1.241  -7.391
  219   HD21  LEU  27          HD21      LEU  27  -0.258  -2.251  -6.060
  220   HD22  LEU  27          HD22      LEU  27  -0.844  -2.392  -4.403
  221   HD23  LEU  27          HD23      LEU  27   0.534  -1.353  -4.766
  222    H    CYS  28           HN       CYS  28  -2.151   0.424  -2.872
  223    HA   CYS  28           HA       CYS  28  -4.519   1.739  -1.962
  224    HB2  CYS  28           HB2      CYS  28  -4.415   0.140  -0.142
  225    HB3  CYS  28           HB1      CYS  28  -4.029  -0.682  -1.657
  226    H    LYS  29           HN       LYS  29  -4.803   2.950  -0.113
  227    HA   LYS  29           HA       LYS  29  -2.531   4.532   0.697
  228    HB2  LYS  29           HB2      LYS  29  -5.459   4.670   1.408
  229    HB3  LYS  29           HB1      LYS  29  -4.248   5.780   2.038
  230    HG2  LYS  29           HG2      LYS  29  -4.111   5.584  -0.845
  231    HG3  LYS  29           HG1      LYS  29  -5.719   6.063  -0.296
  232    HD2  LYS  29           HD2      LYS  29  -4.348   8.029  -0.667
  233    HD3  LYS  29           HD1      LYS  29  -4.701   7.856   1.053
  234    HE2  LYS  29           HE2      LYS  29  -2.218   6.595   0.039
  235    HE3  LYS  29           HE1      LYS  29  -2.250   8.356   0.124
  236    HZ1  LYS  29           HZ1      LYS  29  -2.249   6.393   2.272
  237    HZ2  LYS  29           HZ2      LYS  29  -3.221   7.756   2.512
  238    HZ3  LYS  29           HZ3      LYS  29  -1.566   7.940   2.217
  239    H    LYS  30           HN       LYS  30  -5.040   2.710   2.425
  240    HA   LYS  30           HA       LYS  30  -3.487   2.702   4.840
  241    HB2  LYS  30           HB2      LYS  30  -5.847   2.967   5.045
  242    HB3  LYS  30           HB1      LYS  30  -6.151   1.496   4.132
  243    HG2  LYS  30           HG2      LYS  30  -6.517   0.891   6.351
  244    HG3  LYS  30           HG1      LYS  30  -4.894   0.292   5.995
  245    HD2  LYS  30           HD2      LYS  30  -3.875   1.856   7.316
  246    HD3  LYS  30           HD1      LYS  30  -5.179   3.029   7.121
  247    HE2  LYS  30           HE2      LYS  30  -6.338   0.846   8.423
  248    HE3  LYS  30           HE1      LYS  30  -4.767   1.062   9.192
  249    HZ1  LYS  30           HZ1      LYS  30  -5.388   3.476   9.398
  250    HZ2  LYS  30           HZ2      LYS  30  -6.270   2.408  10.369
  251    HZ3  LYS  30           HZ3      LYS  30  -6.962   3.035   8.959
  252    H    THR  31           HN       THR  31  -4.774   0.066   2.773
  253    HA   THR  31           HA       THR  31  -3.794  -2.049   4.192
  254    HB   THR  31           HB       THR  31  -3.904  -1.861   1.184
  255    HG1  THR  31           HG1      THR  31  -5.870  -1.493   2.601
  256   HG21  THR  31          HG21      THR  31  -3.966  -4.185   1.092
  257   HG22  THR  31          HG22      THR  31  -4.207  -4.334   2.831
  258   HG23  THR  31          HG23      THR  31  -2.644  -3.820   2.202
  259    H    CYS  32           HN       CYS  32  -1.943   0.114   2.203
  260    HA   CYS  32           HA       CYS  32   0.378  -1.597   2.094
  261    HB2  CYS  32           HB2      CYS  32   0.218  -0.025   0.324
  262    HB3  CYS  32           HB1      CYS  32  -0.030   1.320   1.430
  263    H    GLY  33           HN       GLY  33  -0.996   0.393   4.434
  264    HA2  GLY  33           HA2      GLY  33  -0.301   0.524   6.667
  265    HA3  GLY  33           HA1      GLY  33   1.291  -0.031   6.181
  266    H    THR  34           HN       THR  34  -0.624   2.764   5.050
  267    HA   THR  34           HA       THR  34   1.402   4.525   6.231
  268    HB   THR  34           HB       THR  34   2.145   4.373   3.975
  269    HG1  THR  34           HG1      THR  34   2.073   6.475   3.445
  270   HG21  THR  34          HG21      THR  34   0.796   4.830   2.040
  271   HG22  THR  34          HG22      THR  34  -0.626   5.061   3.055
  272   HG23  THR  34          HG23      THR  34   0.123   3.467   2.934
  273    H    CYS  35           HN       CYS  35  -1.839   4.164   4.890
  274    HA   CYS  35           HA       CYS  35  -2.763   6.768   5.364
  275    HB2  CYS  35           HB2      CYS  35  -3.945   4.967   4.046
  276    HB3  CYS  35           HB1      CYS  35  -4.440   4.266   5.583
  Start of MODEL   14
    1    H1   ALA   2           HT1      ALA   2 -10.166   9.843   3.481
    2    H2   ALA   2           HT2      ALA   2 -11.373   8.876   4.224
    3    H3   ALA   2           HT3      ALA   2 -11.818  10.273   3.333
    4    HA   ALA   2           HA       ALA   2 -12.117   8.039   2.264
    5    HB1  ALA   2           HB1      ALA   2 -12.302  10.179   1.097
    6    HB2  ALA   2           HB2      ALA   2 -11.537   8.956   0.082
    7    HB3  ALA   2           HB3      ALA   2 -10.556  10.201   0.856
    8    H    CYS   3           HN       CYS   3 -10.755   6.450   3.300
    9    HA   CYS   3           HA       CYS   3  -8.217   6.064   1.857
   10    HB2  CYS   3           HB2      CYS   3  -8.589   6.388   4.656
   11    HB3  CYS   3           HB1      CYS   3  -8.139   4.709   4.378
   12    H    LYS   4           HN       LYS   4  -8.024   4.179   0.822
   13    HA   LYS   4           HA       LYS   4  -9.476   1.833   1.735
   14    HB2  LYS   4           HB2      LYS   4 -10.144   3.346  -0.735
   15    HB3  LYS   4           HB1      LYS   4 -10.129   1.592  -0.852
   16    HG2  LYS   4           HG2      LYS   4 -11.636   2.929   1.352
   17    HG3  LYS   4           HG1      LYS   4 -12.329   2.825  -0.268
   18    HD2  LYS   4           HD2      LYS   4 -11.353   0.267   0.264
   19    HD3  LYS   4           HD1      LYS   4 -12.097   0.791   1.775
   20    HE2  LYS   4           HE2      LYS   4 -13.598   1.288  -0.734
   21    HE3  LYS   4           HE1      LYS   4 -13.481  -0.381  -0.177
   22    HZ1  LYS   4           HZ1      LYS   4 -14.151   0.846   2.083
   23    HZ2  LYS   4           HZ2      LYS   4 -15.285   0.206   1.004
   24    HZ3  LYS   4           HZ3      LYS   4 -14.927   1.859   0.971
   25    H    ASP   5           HN       ASP   5  -9.065   0.042  -0.113
   26    HA   ASP   5           HA       ASP   5  -6.168   0.079  -0.531
   27    HB2  ASP   5           HB2      ASP   5  -6.232  -2.353  -0.360
   28    HB3  ASP   5           HB1      ASP   5  -6.938  -1.602   1.063
   29    H    TYR   6           HN       TYR   6  -5.525   0.261  -2.516
   30    HA   TYR   6           HA       TYR   6  -7.210   0.015  -4.783
   31    HB2  TYR   6           HB2      TYR   6  -4.333   0.582  -4.285
   32    HB3  TYR   6           HB1      TYR   6  -4.750  -0.026  -5.883
   33    HD1  TYR   6           HD1      TYR   6  -6.286   2.426  -3.504
   34    HD2  TYR   6           HD2      TYR   6  -4.906   1.642  -7.452
   35    HE1  TYR   6           HE1      TYR   6  -6.968   4.688  -4.185
   36    HE2  TYR   6           HE2      TYR   6  -5.583   3.903  -8.144
   37    HH   TYR   6           HH       TYR   6  -7.367   5.638  -7.275
   38    H    LEU   7           HN       LEU   7  -5.549  -2.273  -2.904
   39    HA   LEU   7           HA       LEU   7  -6.170  -4.372  -4.818
   40    HB2  LEU   7           HB2      LEU   7  -3.418  -3.578  -4.002
   41    HB3  LEU   7           HB1      LEU   7  -3.747  -5.266  -4.210
   42    HG   LEU   7           HG       LEU   7  -4.603  -3.499  -6.414
   43   HD11  LEU   7          HD11      LEU   7  -2.158  -3.828  -7.281
   44   HD12  LEU   7          HD12      LEU   7  -1.780  -3.857  -5.560
   45   HD13  LEU   7          HD13      LEU   7  -2.577  -2.451  -6.263
   46   HD21  LEU   7          HD21      LEU   7  -3.978  -6.285  -5.967
   47   HD22  LEU   7          HD22      LEU   7  -3.131  -5.644  -7.371
   48   HD23  LEU   7          HD23      LEU   7  -4.887  -5.528  -7.271
   49    HA   PRO   8           HA       PRO   8  -6.754  -6.678  -1.090
   50    HB2  PRO   8           HB2      PRO   8  -6.034  -9.178  -1.599
   51    HB3  PRO   8           HB1      PRO   8  -7.334  -8.405  -2.518
   52    HG2  PRO   8           HG2      PRO   8  -4.499  -8.883  -3.267
   53    HG3  PRO   8           HG1      PRO   8  -5.962  -9.027  -4.255
   54    HD2  PRO   8           HD2      PRO   8  -4.234  -6.857  -4.229
   55    HD3  PRO   8           HD1      PRO   8  -5.879  -6.802  -4.850
   56    H    LYS   9           HN       LYS   9  -5.842  -7.990   0.606
   57    HA   LYS   9           HA       LYS   9  -3.598  -6.876   1.750
   58    HB2  LYS   9           HB2      LYS   9  -4.658  -9.651   2.293
   59    HB3  LYS   9           HB1      LYS   9  -3.671  -8.680   3.377
   60    HG2  LYS   9           HG2      LYS   9  -5.407  -7.241   3.884
   61    HG3  LYS   9           HG1      LYS   9  -6.304  -7.642   2.418
   62    HD2  LYS   9           HD2      LYS   9  -6.111 -10.058   3.756
   63    HD3  LYS   9           HD1      LYS   9  -6.374  -8.884   5.047
   64    HE2  LYS   9           HE2      LYS   9  -8.068  -9.051   2.561
   65    HE3  LYS   9           HE1      LYS   9  -8.459  -9.877   4.069
   66    HZ1  LYS   9           HZ1      LYS   9  -8.673  -7.069   3.387
   67    HZ2  LYS   9           HZ2      LYS   9  -8.062  -7.383   4.932
   68    HZ3  LYS   9           HZ3      LYS   9  -9.575  -7.990   4.482
   69    H    SER  10           HN       SER  10  -3.740  -9.400  -0.607
   70    HA   SER  10           HA       SER  10  -1.140 -10.470  -0.051
   71    HB2  SER  10           HB2      SER  10  -2.648 -11.978  -1.072
   72    HB3  SER  10           HB1      SER  10  -3.087 -10.818  -2.325
   73    HG   SER  10           HG       SER  10  -0.486 -11.908  -2.029
   74    H    GLU  11           HN       GLU  11  -2.323  -7.773  -1.862
   75    HA   GLU  11           HA       GLU  11   0.155  -7.585  -3.413
   76    HB2  GLU  11           HB2      GLU  11  -2.589  -6.678  -3.683
   77    HB3  GLU  11           HB1      GLU  11  -1.446  -5.387  -4.000
   78    HG2  GLU  11           HG2      GLU  11  -0.753  -7.889  -5.323
   79    HG3  GLU  11           HG1      GLU  11  -2.339  -7.270  -5.791
   80    H    CYS  12           HN       CYS  12  -1.720  -5.875  -1.000
   81    HA   CYS  12           HA       CYS  12   0.359  -3.834  -0.794
   82    HB2  CYS  12           HB2      CYS  12  -2.511  -4.017  -0.058
   83    HB3  CYS  12           HB1      CYS  12  -1.494  -2.934   0.903
   84    H    THR  13           HN       THR  13   1.958  -4.326   0.508
   85    HA   THR  13           HA       THR  13   1.324  -5.640   3.069
   86    HB   THR  13           HB       THR  13   3.724  -6.542   2.886
   87    HG1  THR  13           HG1      THR  13   3.332  -5.942   0.149
   88   HG21  THR  13          HG21      THR  13   1.976  -7.577   0.674
   89   HG22  THR  13          HG22      THR  13   1.595  -7.860   2.376
   90   HG23  THR  13          HG23      THR  13   3.109  -8.461   1.702
   91    H    GLN  14           HN       GLN  14   2.313  -4.838   4.912
   92    HA   GLN  14           HA       GLN  14   2.891  -2.151   5.090
   93    HB2  GLN  14           HB2      GLN  14   3.780  -4.467   6.804
   94    HB3  GLN  14           HB1      GLN  14   4.166  -2.801   7.215
   95    HG2  GLN  14           HG2      GLN  14   2.253  -3.256   8.449
   96    HG3  GLN  14           HG1      GLN  14   1.653  -2.368   7.049
   97   HE21  GLN  14          HE21      GLN  14   0.349  -3.394   5.568
   98   HE22  GLN  14          HE22      GLN  14  -0.300  -4.975   5.821
   99    H    PHE  15           HN       PHE  15   4.908  -4.783   4.131
  100    HA   PHE  15           HA       PHE  15   7.445  -3.615   4.341
  101    HB2  PHE  15           HB2      PHE  15   6.219  -5.925   3.040
  102    HB3  PHE  15           HB1      PHE  15   7.576  -5.279   2.135
  103    HD1  PHE  15           HD1      PHE  15   9.756  -4.905   3.428
  104    HD2  PHE  15           HD2      PHE  15   6.569  -7.340   4.847
  105    HE1  PHE  15           HE1      PHE  15  11.317  -6.052   4.935
  106    HE2  PHE  15           HE2      PHE  15   8.126  -8.497   6.364
  107    HZ   PHE  15           HZ       PHE  15  10.504  -7.854   6.410
  108    H    ARG  16           HN       ARG  16   4.942  -3.370   1.908
  109    HA   ARG  16           HA       ARG  16   6.479  -2.211  -0.139
  110    HB2  ARG  16           HB2      ARG  16   3.553  -1.683   0.353
  111    HB3  ARG  16           HB1      ARG  16   4.410  -1.635  -1.170
  112    HG2  ARG  16           HG2      ARG  16   4.041  -4.115   0.454
  113    HG3  ARG  16           HG1      ARG  16   2.985  -3.622  -0.870
  114    HD2  ARG  16           HD2      ARG  16   5.240  -3.479  -2.198
  115    HD3  ARG  16           HD1      ARG  16   5.813  -4.576  -0.941
  116    HE   ARG  16           HE       ARG  16   3.390  -5.555  -1.955
  117   HH11  ARG  16          HH11      ARG  16   6.699  -5.082  -2.958
  118   HH12  ARG  16          HH12      ARG  16   6.679  -6.401  -4.079
  119   HH21  ARG  16          HH21      ARG  16   3.362  -7.290  -3.428
  120   HH22  ARG  16          HH22      ARG  16   4.784  -7.655  -4.347
  121    H    CYS  17           HN       CYS  17   4.493  -0.676   2.396
  122    HA   CYS  17           HA       CYS  17   5.099   1.951   1.560
  123    HB2  CYS  17           HB2      CYS  17   3.939   0.761   4.032
  124    HB3  CYS  17           HB1      CYS  17   4.465   2.439   4.057
  125    H    ARG  18           HN       ARG  18   6.852  -0.347   3.399
  126    HA   ARG  18           HA       ARG  18   8.512   1.374   4.890
  127    HB2  ARG  18           HB2      ARG  18   8.268  -1.391   4.514
  128    HB3  ARG  18           HB1      ARG  18   9.914  -0.990   3.991
  129    HG2  ARG  18           HG2      ARG  18   9.083   0.231   6.540
  130    HG3  ARG  18           HG1      ARG  18   9.174  -1.532   6.553
  131    HD2  ARG  18           HD2      ARG  18  11.439  -1.547   6.071
  132    HD3  ARG  18           HD1      ARG  18  11.404   0.071   5.372
  133    HE   ARG  18           HE       ARG  18  10.798   0.029   8.177
  134   HH11  ARG  18          HH11      ARG  18  13.368   0.109   5.818
  135   HH12  ARG  18          HH12      ARG  18  14.507   0.839   6.899
  136   HH21  ARG  18          HH21      ARG  18  12.294   0.989   9.601
  137   HH22  ARG  18          HH22      ARG  18  13.898   1.338   9.048
  138    H    THR  19           HN       THR  19   8.992  -0.277   1.868
  139    HA   THR  19           HA       THR  19  11.287   1.451   1.309
  140    HB   THR  19           HB       THR  19  11.946  -0.750   1.711
  141    HG1  THR  19           HG1      THR  19  12.809  -1.364  -0.282
  142   HG21  THR  19          HG21      THR  19   9.765  -1.658  -0.132
  143   HG22  THR  19          HG22      THR  19   9.890  -1.905   1.613
  144   HG23  THR  19          HG23      THR  19  11.035  -2.696   0.523
  145    H    SER  20           HN       SER  20   8.304   0.179  -0.040
  146    HA   SER  20           HA       SER  20   8.864   1.503  -2.600
  147    HB2  SER  20           HB2      SER  20   6.464  -0.221  -2.020
  148    HB3  SER  20           HB1      SER  20   7.205   0.144  -3.578
  149    HG   SER  20           HG       SER  20   8.328  -1.432  -1.501
  150    H    MET  21           HN       MET  21   8.077   3.461  -2.978
  151    HA   MET  21           HA       MET  21   6.148   4.661  -1.212
  152    HB2  MET  21           HB2      MET  21   7.471   5.704  -3.719
  153    HB3  MET  21           HB1      MET  21   6.444   6.660  -2.660
  154    HG2  MET  21           HG2      MET  21   8.488   7.255  -1.873
  155    HG3  MET  21           HG1      MET  21   8.155   5.873  -0.831
  156    HE1  MET  21           HE1      MET  21   9.303   5.649  -4.721
  157    HE2  MET  21           HE2      MET  21  11.019   5.933  -4.427
  158    HE3  MET  21           HE3      MET  21   9.834   7.169  -4.001
  159    H    LYS  22           HN       LYS  22   6.133   3.309  -4.437
  160    HA   LYS  22           HA       LYS  22   3.804   4.390  -5.473
  161    HB2  LYS  22           HB2      LYS  22   5.559   2.773  -6.509
  162    HB3  LYS  22           HB1      LYS  22   4.495   1.506  -5.915
  163    HG2  LYS  22           HG2      LYS  22   2.988   3.506  -7.329
  164    HG3  LYS  22           HG1      LYS  22   4.307   2.895  -8.327
  165    HD2  LYS  22           HD2      LYS  22   2.491   1.035  -6.827
  166    HD3  LYS  22           HD1      LYS  22   2.050   1.668  -8.414
  167    HE2  LYS  22           HE2      LYS  22   4.065   0.725  -9.380
  168    HE3  LYS  22           HE1      LYS  22   4.590   0.163  -7.793
  169    HZ1  LYS  22           HZ1      LYS  22   2.189  -0.760  -9.278
  170    HZ2  LYS  22           HZ2      LYS  22   2.608  -1.257  -7.716
  171    HZ3  LYS  22           HZ3      LYS  22   3.612  -1.640  -9.023
  172    H    TYR  23           HN       TYR  23   4.071   1.241  -3.831
  173    HA   TYR  23           HA       TYR  23   1.407   0.567  -3.748
  174    HB2  TYR  23           HB2      TYR  23   3.560  -0.018  -1.725
  175    HB3  TYR  23           HB1      TYR  23   1.993  -0.813  -1.757
  176    HD1  TYR  23           HD1      TYR  23   5.160  -0.367  -3.600
  177    HD2  TYR  23           HD2      TYR  23   1.550  -2.589  -3.267
  178    HE1  TYR  23           HE1      TYR  23   6.058  -2.048  -5.152
  179    HE2  TYR  23           HE2      TYR  23   2.436  -4.275  -4.817
  180    HH   TYR  23           HH       TYR  23   5.705  -4.418  -5.709
  181    H    ARG  24           HN       ARG  24   3.027   2.954  -1.827
  182    HA   ARG  24           HA       ARG  24   1.070   2.963   0.278
  183    HB2  ARG  24           HB2      ARG  24   2.777   5.345  -0.091
  184    HB3  ARG  24           HB1      ARG  24   2.435   4.423   1.361
  185    HG2  ARG  24           HG2      ARG  24   3.961   2.647   0.461
  186    HG3  ARG  24           HG1      ARG  24   4.417   3.787  -0.801
  187    HD2  ARG  24           HD2      ARG  24   5.053   5.403   0.983
  188    HD3  ARG  24           HD1      ARG  24   4.762   4.134   2.171
  189    HE   ARG  24           HE       ARG  24   6.509   2.904   0.627
  190   HH11  ARG  24          HH11      ARG  24   6.543   6.213   1.767
  191   HH12  ARG  24          HH12      ARG  24   8.269   6.330   1.747
  192   HH21  ARG  24          HH21      ARG  24   8.777   3.068   0.610
  193   HH22  ARG  24          HH22      ARG  24   9.537   4.548   1.092
  194    H    LEU  25           HN       LEU  25   1.978   5.484  -2.068
  195    HA   LEU  25           HA       LEU  25  -0.589   6.779  -1.618
  196    HB2  LEU  25           HB2      LEU  25   1.647   7.744  -3.377
  197    HB3  LEU  25           HB1      LEU  25   0.357   8.689  -2.653
  198    HG   LEU  25           HG       LEU  25   2.086   9.272  -1.269
  199   HD11  LEU  25          HD11      LEU  25   1.517   8.528   0.774
  200   HD12  LEU  25          HD12      LEU  25   1.735   6.833   0.342
  201   HD13  LEU  25          HD13      LEU  25   0.247   7.672  -0.099
  202   HD21  LEU  25          HD21      LEU  25   4.056   8.322  -1.626
  203   HD22  LEU  25          HD22      LEU  25   3.296   6.894  -2.325
  204   HD23  LEU  25          HD23      LEU  25   3.559   6.989  -0.583
  205    H    ASN  26           HN       ASN  26   1.260   5.447  -4.335
  206    HA   ASN  26           HA       ASN  26  -0.689   6.124  -6.286
  207    HB2  ASN  26           HB2      ASN  26   1.869   5.474  -6.457
  208    HB3  ASN  26           HB1      ASN  26   1.201   3.864  -6.721
  209   HD21  ASN  26          HD21      ASN  26   1.674   3.625  -8.836
  210   HD22  ASN  26          HD22      ASN  26   1.037   4.621 -10.095
  211    H    LEU  27           HN       LEU  27  -0.061   3.208  -4.397
  212    HA   LEU  27           HA       LEU  27  -2.328   1.876  -5.671
  213    HB2  LEU  27           HB2      LEU  27   0.093   0.921  -5.025
  214    HB3  LEU  27           HB1      LEU  27  -0.752   0.546  -3.539
  215    HG   LEU  27           HG       LEU  27  -2.511  -0.483  -5.263
  216   HD11  LEU  27          HD11      LEU  27  -0.155  -1.428  -6.708
  217   HD12  LEU  27          HD12      LEU  27  -0.530   0.270  -6.999
  218   HD13  LEU  27          HD13      LEU  27  -1.748  -0.967  -7.309
  219   HD21  LEU  27          HD21      LEU  27  -0.452  -1.457  -3.563
  220   HD22  LEU  27          HD22      LEU  27  -0.476  -2.448  -5.022
  221   HD23  LEU  27          HD23      LEU  27  -1.942  -2.259  -4.061
  222    H    CYS  28           HN       CYS  28  -2.224   0.428  -2.749
  223    HA   CYS  28           HA       CYS  28  -4.586   1.744  -1.823
  224    HB2  CYS  28           HB2      CYS  28  -4.432   0.161   0.030
  225    HB3  CYS  28           HB1      CYS  28  -4.147  -0.665  -1.504
  226    H    LYS  29           HN       LYS  29  -4.855   2.947   0.026
  227    HA   LYS  29           HA       LYS  29  -2.584   4.530   0.827
  228    HB2  LYS  29           HB2      LYS  29  -5.513   4.665   1.536
  229    HB3  LYS  29           HB1      LYS  29  -4.303   5.760   2.194
  230    HG2  LYS  29           HG2      LYS  29  -4.225   5.562  -0.715
  231    HG3  LYS  29           HG1      LYS  29  -5.758   6.172  -0.086
  232    HD2  LYS  29           HD2      LYS  29  -3.091   7.260   0.785
  233    HD3  LYS  29           HD1      LYS  29  -3.980   7.906  -0.595
  234    HE2  LYS  29           HE2      LYS  29  -5.294   9.099   0.743
  235    HE3  LYS  29           HE1      LYS  29  -5.723   7.665   1.674
  236    HZ1  LYS  29           HZ1      LYS  29  -4.159   8.099   3.241
  237    HZ2  LYS  29           HZ2      LYS  29  -4.458   9.689   2.750
  238    HZ3  LYS  29           HZ3      LYS  29  -3.103   8.865   2.164
  239    H    LYS  30           HN       LYS  30  -5.067   2.663   2.540
  240    HA   LYS  30           HA       LYS  30  -3.521   2.656   4.957
  241    HB2  LYS  30           HB2      LYS  30  -5.887   2.870   5.158
  242    HB3  LYS  30           HB1      LYS  30  -6.155   1.405   4.222
  243    HG2  LYS  30           HG2      LYS  30  -6.513   0.720   6.404
  244    HG3  LYS  30           HG1      LYS  30  -4.848   0.223   6.089
  245    HD2  LYS  30           HD2      LYS  30  -3.963   1.823   7.463
  246    HD3  LYS  30           HD1      LYS  30  -5.328   2.920   7.243
  247    HE2  LYS  30           HE2      LYS  30  -6.721   1.471   8.633
  248    HE3  LYS  30           HE1      LYS  30  -5.367   0.362   8.842
  249    HZ1  LYS  30           HZ1      LYS  30  -5.956   2.320  10.548
  250    HZ2  LYS  30           HZ2      LYS  30  -4.844   3.124   9.558
  251    HZ3  LYS  30           HZ3      LYS  30  -4.396   1.696  10.347
  252    H    THR  31           HN       THR  31  -4.777  -0.012   2.900
  253    HA   THR  31           HA       THR  31  -3.717  -2.095   4.306
  254    HB   THR  31           HB       THR  31  -3.875  -1.927   1.300
  255    HG1  THR  31           HG1      THR  31  -5.754  -2.842   3.218
  256   HG21  THR  31          HG21      THR  31  -3.945  -4.265   1.248
  257   HG22  THR  31          HG22      THR  31  -4.097  -4.379   3.000
  258   HG23  THR  31          HG23      THR  31  -2.574  -3.859   2.283
  259    H    CYS  32           HN       CYS  32  -1.949   0.080   2.245
  260    HA   CYS  32           HA       CYS  32   0.391  -1.585   2.086
  261    HB2  CYS  32           HB2      CYS  32   0.168   0.022   0.349
  262    HB3  CYS  32           HB1      CYS  32  -0.050   1.342   1.491
  263    H    GLY  33           HN       GLY  33  -0.957   0.339   4.491
  264    HA2  GLY  33           HA2      GLY  33  -0.222   0.453   6.710
  265    HA3  GLY  33           HA1      GLY  33   1.360  -0.100   6.191
  266    H    THR  34           HN       THR  34  -0.575   2.715   5.149
  267    HA   THR  34           HA       THR  34   1.489   4.455   6.298
  268    HB   THR  34           HB       THR  34   2.146   4.338   4.009
  269    HG1  THR  34           HG1      THR  34   2.045   6.456   3.505
  270   HG21  THR  34          HG21      THR  34   0.723   4.847   2.139
  271   HG22  THR  34          HG22      THR  34  -0.656   5.059   3.216
  272   HG23  THR  34          HG23      THR  34   0.082   3.466   3.028
  273    H    CYS  35           HN       CYS  35  -1.793   4.094   5.084
  274    HA   CYS  35           HA       CYS  35  -2.774   6.652   5.521
  275    HB2  CYS  35           HB2      CYS  35  -4.030   4.787   4.440
  276    HB3  CYS  35           HB1      CYS  35  -4.272   4.076   6.032
  Start of MODEL   15
    1    H1   ALA   2           HT1      ALA   2 -11.472   7.009   2.156
    2    H2   ALA   2           HT2      ALA   2 -10.998   8.120   0.937
    3    H3   ALA   2           HT3      ALA   2 -12.157   8.580   2.117
    4    HA   ALA   2           HA       ALA   2  -9.819   9.412   2.364
    5    HB1  ALA   2           HB1      ALA   2 -10.206   9.677   4.591
    6    HB2  ALA   2           HB2      ALA   2 -10.666   7.991   4.827
    7    HB3  ALA   2           HB3      ALA   2 -11.805   9.121   4.096
    8    H    CYS   3           HN       CYS   3 -10.382   6.110   3.598
    9    HA   CYS   3           HA       CYS   3  -7.576   5.491   2.985
   10    HB2  CYS   3           HB2      CYS   3  -9.036   5.000   5.575
   11    HB3  CYS   3           HB1      CYS   3  -7.611   4.073   5.121
   12    H    LYS   4           HN       LYS   4  -8.081   4.259   1.199
   13    HA   LYS   4           HA       LYS   4  -9.609   1.802   1.752
   14    HB2  LYS   4           HB2      LYS   4  -9.806   3.709  -0.521
   15    HB3  LYS   4           HB1      LYS   4  -9.964   1.998  -0.891
   16    HG2  LYS   4           HG2      LYS   4 -11.565   2.953   1.384
   17    HG3  LYS   4           HG1      LYS   4 -12.019   3.592  -0.197
   18    HD2  LYS   4           HD2      LYS   4 -12.070   1.236  -1.040
   19    HD3  LYS   4           HD1      LYS   4 -11.830   0.696   0.623
   20    HE2  LYS   4           HE2      LYS   4 -14.080   2.534  -0.135
   21    HE3  LYS   4           HE1      LYS   4 -14.228   0.783  -0.275
   22    HZ1  LYS   4           HZ1      LYS   4 -14.029   0.508   2.012
   23    HZ2  LYS   4           HZ2      LYS   4 -15.014   1.876   1.870
   24    HZ3  LYS   4           HZ3      LYS   4 -13.376   2.051   2.253
   25    H    ASP   5           HN       ASP   5  -9.145   0.237  -0.271
   26    HA   ASP   5           HA       ASP   5  -6.224   0.112  -0.545
   27    HB2  ASP   5           HB2      ASP   5  -6.382  -2.324  -0.423
   28    HB3  ASP   5           HB1      ASP   5  -7.045  -1.571   1.021
   29    H    TYR   6           HN       TYR   6  -5.540   0.235  -2.532
   30    HA   TYR   6           HA       TYR   6  -7.268   0.026  -4.796
   31    HB2  TYR   6           HB2      TYR   6  -4.935   1.340  -4.324
   32    HB3  TYR   6           HB1      TYR   6  -4.339  -0.045  -5.230
   33    HD1  TYR   6           HD1      TYR   6  -5.298  -0.488  -7.527
   34    HD2  TYR   6           HD2      TYR   6  -6.008   3.134  -5.412
   35    HE1  TYR   6           HE1      TYR   6  -5.949   0.606  -9.631
   36    HE2  TYR   6           HE2      TYR   6  -6.662   4.238  -7.510
   37    HH   TYR   6           HH       TYR   6  -7.456   3.685  -9.713
   38    H    LEU   7           HN       LEU   7  -5.626  -2.234  -2.917
   39    HA   LEU   7           HA       LEU   7  -6.136  -4.334  -4.859
   40    HB2  LEU   7           HB2      LEU   7  -3.422  -3.495  -3.965
   41    HB3  LEU   7           HB1      LEU   7  -3.716  -5.190  -4.163
   42    HG   LEU   7           HG       LEU   7  -4.520  -3.441  -6.407
   43   HD11  LEU   7          HD11      LEU   7  -1.748  -3.748  -5.425
   44   HD12  LEU   7          HD12      LEU   7  -2.501  -2.416  -6.304
   45   HD13  LEU   7          HD13      LEU   7  -2.015  -3.879  -7.163
   46   HD21  LEU   7          HD21      LEU   7  -3.799  -6.234  -5.931
   47   HD22  LEU   7          HD22      LEU   7  -3.124  -5.552  -7.408
   48   HD23  LEU   7          HD23      LEU   7  -4.867  -5.526  -7.139
   49    HA   PRO   8           HA       PRO   8  -6.797  -6.653  -1.152
   50    HB2  PRO   8           HB2      PRO   8  -6.020  -9.140  -1.638
   51    HB3  PRO   8           HB1      PRO   8  -7.301  -8.389  -2.602
   52    HG2  PRO   8           HG2      PRO   8  -4.430  -8.808  -3.251
   53    HG3  PRO   8           HG1      PRO   8  -5.855  -8.993  -4.287
   54    HD2  PRO   8           HD2      PRO   8  -4.186  -6.782  -4.224
   55    HD3  PRO   8           HD1      PRO   8  -5.818  -6.766  -4.882
   56    H    LYS   9           HN       LYS   9  -5.904  -7.946   0.575
   57    HA   LYS   9           HA       LYS   9  -3.688  -6.788   1.750
   58    HB2  LYS   9           HB2      LYS   9  -4.766  -9.548   2.333
   59    HB3  LYS   9           HB1      LYS   9  -3.798  -8.556   3.415
   60    HG2  LYS   9           HG2      LYS   9  -5.538  -7.157   3.918
   61    HG3  LYS   9           HG1      LYS   9  -6.367  -7.458   2.389
   62    HD2  LYS   9           HD2      LYS   9  -7.084  -9.619   3.128
   63    HD3  LYS   9           HD1      LYS   9  -6.082  -9.513   4.577
   64    HE2  LYS   9           HE2      LYS   9  -7.441  -7.736   5.453
   65    HE3  LYS   9           HE1      LYS   9  -8.361  -7.641   3.952
   66    HZ1  LYS   9           HZ1      LYS   9  -8.342  -9.891   5.888
   67    HZ2  LYS   9           HZ2      LYS   9  -9.112  -9.943   4.383
   68    HZ3  LYS   9           HZ3      LYS   9  -9.629  -8.842   5.559
   69    H    SER  10           HN       SER  10  -3.771  -9.312  -0.594
   70    HA   SER  10           HA       SER  10  -1.190 -10.392   0.055
   71    HB2  SER  10           HB2      SER  10  -3.140 -10.806  -2.194
   72    HB3  SER  10           HB1      SER  10  -1.515 -11.488  -2.269
   73    HG   SER  10           HG       SER  10  -3.313 -12.791  -1.293
   74    H    GLU  11           HN       GLU  11  -2.315  -7.712  -1.815
   75    HA   GLU  11           HA       GLU  11   0.189  -7.589  -3.331
   76    HB2  GLU  11           HB2      GLU  11  -2.536  -6.609  -3.658
   77    HB3  GLU  11           HB1      GLU  11  -1.335  -5.383  -4.018
   78    HG2  GLU  11           HG2      GLU  11  -0.662  -7.912  -5.243
   79    HG3  GLU  11           HG1      GLU  11  -2.284  -7.386  -5.700
   80    H    CYS  12           HN       CYS  12  -1.689  -5.810  -0.968
   81    HA   CYS  12           HA       CYS  12   0.441  -3.820  -0.763
   82    HB2  CYS  12           HB2      CYS  12  -2.455  -3.878  -0.170
   83    HB3  CYS  12           HB1      CYS  12  -1.459  -2.865   0.884
   84    H    THR  13           HN       THR  13   1.989  -4.387   0.559
   85    HA   THR  13           HA       THR  13   1.270  -5.621   3.137
   86    HB   THR  13           HB       THR  13   3.677  -6.533   3.014
   87    HG1  THR  13           HG1      THR  13   3.331  -6.016   0.256
   88   HG21  THR  13          HG21      THR  13   1.551  -7.856   2.502
   89   HG22  THR  13          HG22      THR  13   3.069  -8.470   1.848
   90   HG23  THR  13          HG23      THR  13   1.945  -7.597   0.800
   91    H    GLN  14           HN       GLN  14   2.261  -4.823   4.999
   92    HA   GLN  14           HA       GLN  14   2.836  -2.140   5.188
   93    HB2  GLN  14           HB2      GLN  14   4.136  -4.245   6.924
   94    HB3  GLN  14           HB1      GLN  14   3.771  -2.581   7.359
   95    HG2  GLN  14           HG2      GLN  14   1.836  -4.836   6.920
   96    HG3  GLN  14           HG1      GLN  14   2.162  -3.960   8.414
   97   HE21  GLN  14          HE21      GLN  14   0.366  -4.046   5.499
   98   HE22  GLN  14          HE22      GLN  14  -0.540  -2.597   5.751
   99    H    PHE  15           HN       PHE  15   4.874  -4.763   4.232
  100    HA   PHE  15           HA       PHE  15   7.401  -3.585   4.406
  101    HB2  PHE  15           HB2      PHE  15   6.163  -5.880   3.084
  102    HB3  PHE  15           HB1      PHE  15   7.512  -5.221   2.179
  103    HD1  PHE  15           HD1      PHE  15   9.724  -4.945   3.382
  104    HD2  PHE  15           HD2      PHE  15   6.506  -7.248   4.943
  105    HE1  PHE  15           HE1      PHE  15  11.295  -6.123   4.856
  106    HE2  PHE  15           HE2      PHE  15   8.072  -8.435   6.426
  107    HZ   PHE  15           HZ       PHE  15  10.471  -7.874   6.385
  108    H    ARG  16           HN       ARG  16   4.922  -3.453   1.912
  109    HA   ARG  16           HA       ARG  16   6.367  -2.229  -0.123
  110    HB2  ARG  16           HB2      ARG  16   3.451  -1.815   0.546
  111    HB3  ARG  16           HB1      ARG  16   4.211  -1.509  -1.001
  112    HG2  ARG  16           HG2      ARG  16   4.074  -4.197   0.301
  113    HG3  ARG  16           HG1      ARG  16   2.928  -3.611  -0.903
  114    HD2  ARG  16           HD2      ARG  16   4.980  -3.210  -2.381
  115    HD3  ARG  16           HD1      ARG  16   5.852  -4.220  -1.228
  116    HE   ARG  16           HE       ARG  16   3.458  -5.462  -2.174
  117   HH11  ARG  16          HH11      ARG  16   6.801  -4.834  -2.953
  118   HH12  ARG  16          HH12      ARG  16   6.946  -6.206  -3.998
  119   HH21  ARG  16          HH21      ARG  16   3.646  -7.268  -3.547
  120   HH22  ARG  16          HH22      ARG  16   5.154  -7.588  -4.337
  121    H    CYS  17           HN       CYS  17   4.446  -0.669   2.454
  122    HA   CYS  17           HA       CYS  17   5.082   1.949   1.610
  123    HB2  CYS  17           HB2      CYS  17   3.946   0.784   4.110
  124    HB3  CYS  17           HB1      CYS  17   4.475   2.461   4.100
  125    H    ARG  18           HN       ARG  18   6.805  -0.373   3.449
  126    HA   ARG  18           HA       ARG  18   8.519   1.315   4.908
  127    HB2  ARG  18           HB2      ARG  18   8.224  -1.444   4.533
  128    HB3  ARG  18           HB1      ARG  18   9.868  -1.071   3.984
  129    HG2  ARG  18           HG2      ARG  18  10.288   0.029   6.159
  130    HG3  ARG  18           HG1      ARG  18   8.677  -0.450   6.696
  131    HD2  ARG  18           HD2      ARG  18  10.662  -2.462   5.687
  132    HD3  ARG  18           HD1      ARG  18  10.666  -1.927   7.367
  133    HE   ARG  18           HE       ARG  18   8.815  -3.723   6.138
  134   HH11  ARG  18          HH11      ARG  18   9.171  -1.337   8.659
  135   HH12  ARG  18          HH12      ARG  18   7.895  -1.990   9.631
  136   HH21  ARG  18          HH21      ARG  18   7.135  -4.584   7.414
  137   HH22  ARG  18          HH22      ARG  18   6.739  -3.834   8.924
  138    H    THR  19           HN       THR  19   8.925  -0.334   1.874
  139    HA   THR  19           HA       THR  19  11.244   1.354   1.286
  140    HB   THR  19           HB       THR  19  11.856  -0.867   1.675
  141    HG1  THR  19           HG1      THR  19  11.619  -0.678  -1.155
  142   HG21  THR  19          HG21      THR  19  10.895  -2.781   0.473
  143   HG22  THR  19          HG22      THR  19   9.647  -1.709  -0.168
  144   HG23  THR  19          HG23      THR  19   9.772  -1.975   1.575
  145    H    SER  20           HN       SER  20   8.231   0.118  -0.054
  146    HA   SER  20           HA       SER  20   8.800   1.447  -2.607
  147    HB2  SER  20           HB2      SER  20   6.618  -0.498  -1.832
  148    HB3  SER  20           HB1      SER  20   6.792   0.224  -3.431
  149    HG   SER  20           HG       SER  20   8.017  -1.922  -2.444
  150    H    MET  21           HN       MET  21   8.039   3.406  -2.988
  151    HA   MET  21           HA       MET  21   6.108   4.639  -1.245
  152    HB2  MET  21           HB2      MET  21   7.773   5.539  -3.561
  153    HB3  MET  21           HB1      MET  21   6.412   6.526  -3.049
  154    HG2  MET  21           HG2      MET  21   7.458   7.243  -1.207
  155    HG3  MET  21           HG1      MET  21   8.174   5.668  -0.876
  156    HE1  MET  21           HE1      MET  21  10.160   9.243  -1.699
  157    HE2  MET  21           HE2      MET  21  10.710   8.101  -0.473
  158    HE3  MET  21           HE3      MET  21   9.009   8.561  -0.550
  159    H    LYS  22           HN       LYS  22   6.175   3.516  -4.589
  160    HA   LYS  22           HA       LYS  22   3.819   4.566  -5.556
  161    HB2  LYS  22           HB2      LYS  22   5.422   3.377  -6.949
  162    HB3  LYS  22           HB1      LYS  22   5.038   1.865  -6.140
  163    HG2  LYS  22           HG2      LYS  22   3.730   1.586  -7.952
  164    HG3  LYS  22           HG1      LYS  22   2.590   2.525  -6.987
  165    HD2  LYS  22           HD2      LYS  22   3.115   4.522  -8.150
  166    HD3  LYS  22           HD1      LYS  22   4.525   3.788  -8.914
  167    HE2  LYS  22           HE2      LYS  22   2.726   2.120  -9.864
  168    HE3  LYS  22           HE1      LYS  22   1.632   3.465  -9.546
  169    HZ1  LYS  22           HZ1      LYS  22   2.849   4.856 -10.997
  170    HZ2  LYS  22           HZ2      LYS  22   2.618   3.400 -11.827
  171    HZ3  LYS  22           HZ3      LYS  22   4.120   3.746 -11.132
  172    H    TYR  23           HN       TYR  23   4.238   1.550  -3.736
  173    HA   TYR  23           HA       TYR  23   1.561   0.688  -3.919
  174    HB2  TYR  23           HB2      TYR  23   3.820   0.052  -2.056
  175    HB3  TYR  23           HB1      TYR  23   2.224  -0.651  -1.820
  176    HD1  TYR  23           HD2      TYR  23   4.384  -0.036  -4.805
  177    HD2  TYR  23           HD1      TYR  23   2.163  -2.835  -2.505
  178    HE1  TYR  23           HE2      TYR  23   4.937  -1.802  -6.430
  179    HE2  TYR  23           HE1      TYR  23   2.708  -4.607  -4.111
  180    HH   TYR  23           HH       TYR  23   5.112  -4.440  -6.293
  181    H    ARG  24           HN       ARG  24   3.090   3.007  -1.883
  182    HA   ARG  24           HA       ARG  24   1.101   2.924   0.191
  183    HB2  ARG  24           HB2      ARG  24   2.804   5.325  -0.085
  184    HB3  ARG  24           HB1      ARG  24   2.427   4.374   1.340
  185    HG2  ARG  24           HG2      ARG  24   3.978   2.624   0.484
  186    HG3  ARG  24           HG1      ARG  24   4.437   3.738  -0.802
  187    HD2  ARG  24           HD2      ARG  24   5.078   5.389   0.942
  188    HD3  ARG  24           HD1      ARG  24   4.773   4.155   2.162
  189    HE   ARG  24           HE       ARG  24   6.516   2.879   0.635
  190   HH11  ARG  24          HH11      ARG  24   6.570   6.186   1.777
  191   HH12  ARG  24          HH12      ARG  24   8.297   6.283   1.788
  192   HH21  ARG  24          HH21      ARG  24   8.787   3.014   0.662
  193   HH22  ARG  24          HH22      ARG  24   9.556   4.484   1.157
  194    H    LEU  25           HN       LEU  25   2.028   5.505  -2.073
  195    HA   LEU  25           HA       LEU  25  -0.540   6.795  -1.625
  196    HB2  LEU  25           HB2      LEU  25   1.704   7.785  -3.360
  197    HB3  LEU  25           HB1      LEU  25   0.422   8.720  -2.609
  198    HG   LEU  25           HG       LEU  25   2.175   9.261  -1.233
  199   HD11  LEU  25          HD11      LEU  25   1.800   6.829   0.368
  200   HD12  LEU  25          HD12      LEU  25   0.309   7.652  -0.089
  201   HD13  LEU  25          HD13      LEU  25   1.561   8.523   0.793
  202   HD21  LEU  25          HD21      LEU  25   3.608   6.949  -0.568
  203   HD22  LEU  25          HD22      LEU  25   4.126   8.277  -1.606
  204   HD23  LEU  25          HD23      LEU  25   3.341   6.866  -2.310
  205    H    ASN  26           HN       ASN  26   1.328   5.514  -4.361
  206    HA   ASN  26           HA       ASN  26  -0.617   6.232  -6.301
  207    HB2  ASN  26           HB2      ASN  26   1.943   5.605  -6.486
  208    HB3  ASN  26           HB1      ASN  26   1.289   3.998  -6.797
  209   HD21  ASN  26          HD21      ASN  26   2.415   6.618  -8.283
  210   HD22  ASN  26          HD22      ASN  26   1.517   6.565  -9.758
  211    H    LEU  27           HN       LEU  27   0.001   3.257  -4.487
  212    HA   LEU  27           HA       LEU  27  -2.253   1.977  -5.834
  213    HB2  LEU  27           HB2      LEU  27   0.214   1.058  -4.923
  214    HB3  LEU  27           HB1      LEU  27  -0.940   0.379  -3.801
  215    HG   LEU  27           HG       LEU  27  -2.181  -0.592  -5.712
  216   HD11  LEU  27          HD11      LEU  27  -0.108   0.904  -7.208
  217   HD12  LEU  27          HD12      LEU  27  -1.787   0.562  -7.626
  218   HD13  LEU  27          HD13      LEU  27  -0.558  -0.687  -7.822
  219   HD21  LEU  27          HD21      LEU  27  -0.223  -2.173  -6.378
  220   HD22  LEU  27          HD22      LEU  27  -0.798  -2.143  -4.711
  221   HD23  LEU  27          HD23      LEU  27   0.672  -1.274  -5.153
  222    H    CYS  28           HN       CYS  28  -2.151   0.461  -2.901
  223    HA   CYS  28           HA       CYS  28  -4.555   1.731  -2.012
  224    HB2  CYS  28           HB2      CYS  28  -4.467   0.129  -0.209
  225    HB3  CYS  28           HB1      CYS  28  -4.007  -0.689  -1.704
  226    H    LYS  29           HN       LYS  29  -4.873   2.932  -0.166
  227    HA   LYS  29           HA       LYS  29  -2.633   4.546   0.665
  228    HB2  LYS  29           HB2      LYS  29  -5.577   4.654   1.308
  229    HB3  LYS  29           HB1      LYS  29  -4.394   5.755   2.006
  230    HG2  LYS  29           HG2      LYS  29  -4.212   5.588  -0.894
  231    HG3  LYS  29           HG1      LYS  29  -5.790   6.145  -0.328
  232    HD2  LYS  29           HD2      LYS  29  -3.529   7.373   1.067
  233    HD3  LYS  29           HD1      LYS  29  -3.575   7.723  -0.662
  234    HE2  LYS  29           HE2      LYS  29  -5.289   9.124  -0.413
  235    HE3  LYS  29           HE1      LYS  29  -6.200   7.946   0.530
  236    HZ1  LYS  29           HZ1      LYS  29  -3.992   9.216   1.917
  237    HZ2  LYS  29           HZ2      LYS  29  -5.555   8.867   2.460
  238    HZ3  LYS  29           HZ3      LYS  29  -5.277  10.242   1.516
  239    H    LYS  30           HN       LYS  30  -5.137   2.685   2.348
  240    HA   LYS  30           HA       LYS  30  -3.637   2.702   4.794
  241    HB2  LYS  30           HB2      LYS  30  -6.010   2.927   4.930
  242    HB3  LYS  30           HB1      LYS  30  -6.257   1.437   4.028
  243    HG2  LYS  30           HG2      LYS  30  -6.662   0.840   6.239
  244    HG3  LYS  30           HG1      LYS  30  -5.011   0.290   5.938
  245    HD2  LYS  30           HD2      LYS  30  -4.494   1.395   7.811
  246    HD3  LYS  30           HD1      LYS  30  -4.614   2.846   6.814
  247    HE2  LYS  30           HE2      LYS  30  -7.074   2.891   7.423
  248    HE3  LYS  30           HE1      LYS  30  -6.702   1.657   8.627
  249    HZ1  LYS  30           HZ1      LYS  30  -6.613   3.724   9.724
  250    HZ2  LYS  30           HZ2      LYS  30  -5.681   4.435   8.505
  251    HZ3  LYS  30           HZ3      LYS  30  -5.001   3.256   9.509
  252    H    THR  31           HN       THR  31  -4.845   0.013   2.729
  253    HA   THR  31           HA       THR  31  -3.831  -2.059   4.187
  254    HB   THR  31           HB       THR  31  -3.902  -1.904   1.176
  255    HG1  THR  31           HG1      THR  31  -5.918  -3.070   1.616
  256   HG21  THR  31          HG21      THR  31  -2.578  -3.811   2.202
  257   HG22  THR  31          HG22      THR  31  -3.895  -4.238   1.108
  258   HG23  THR  31          HG23      THR  31  -4.116  -4.373   2.851
  259    H    CYS  32           HN       CYS  32  -1.987   0.121   2.205
  260    HA   CYS  32           HA       CYS  32   0.361  -1.549   2.146
  261    HB2  CYS  32           HB2      CYS  32   0.180   0.041   0.379
  262    HB3  CYS  32           HB1      CYS  32  -0.051   1.375   1.502
  263    H    GLY  33           HN       GLY  33  -1.083   0.416   4.465
  264    HA2  GLY  33           HA2      GLY  33  -0.437   0.583   6.706
  265    HA3  GLY  33           HA1      GLY  33   1.162   0.010   6.265
  266    H    THR  34           HN       THR  34  -0.780   2.814   5.196
  267    HA   THR  34           HA       THR  34   1.255   4.581   6.333
  268    HB   THR  34           HB       THR  34   2.009   4.353   4.067
  269    HG1  THR  34           HG1      THR  34   2.305   6.410   4.374
  270   HG21  THR  34          HG21      THR  34   0.000   3.531   2.988
  271   HG22  THR  34          HG22      THR  34   0.650   4.934   2.140
  272   HG23  THR  34          HG23      THR  34  -0.759   5.112   3.186
  273    H    CYS  35           HN       CYS  35  -1.964   4.199   4.946
  274    HA   CYS  35           HA       CYS  35  -2.910   6.800   5.322
  275    HB2  CYS  35           HB2      CYS  35  -3.983   4.545   4.305
  276    HB3  CYS  35           HB1      CYS  35  -4.821   4.602   5.848
  Start of MODEL   16
    1    H1   ALA   2           HT1      ALA   2 -12.535   6.414   6.376
    2    H2   ALA   2           HT2      ALA   2 -11.735   5.409   5.237
    3    H3   ALA   2           HT3      ALA   2 -12.957   6.496   4.717
    4    HA   ALA   2           HA       ALA   2 -11.671   8.323   5.015
    5    HB1  ALA   2           HB1      ALA   2 -10.089   8.584   6.598
    6    HB2  ALA   2           HB2      ALA   2  -9.380   6.996   6.305
    7    HB3  ALA   2           HB3      ALA   2 -10.835   7.144   7.290
    8    H    CYS   3           HN       CYS   3  -9.801   5.292   4.764
    9    HA   CYS   3           HA       CYS   3  -8.782   6.257   2.171
   10    HB2  CYS   3           HB2      CYS   3  -7.437   4.612   4.309
   11    HB3  CYS   3           HB1      CYS   3  -6.832   4.677   2.658
   12    H    LYS   4           HN       LYS   4  -7.838   4.213   0.929
   13    HA   LYS   4           HA       LYS   4  -9.590   1.903   1.183
   14    HB2  LYS   4           HB2      LYS   4  -9.530   3.720  -1.218
   15    HB3  LYS   4           HB1      LYS   4 -10.025   2.038  -1.344
   16    HG2  LYS   4           HG2      LYS   4 -11.487   3.081   0.795
   17    HG3  LYS   4           HG1      LYS   4 -11.521   4.325  -0.455
   18    HD2  LYS   4           HD2      LYS   4 -11.971   2.068  -1.914
   19    HD3  LYS   4           HD1      LYS   4 -12.774   1.672  -0.393
   20    HE2  LYS   4           HE2      LYS   4 -13.945   3.887  -0.551
   21    HE3  LYS   4           HE1      LYS   4 -13.276   4.050  -2.174
   22    HZ1  LYS   4           HZ1      LYS   4 -15.191   3.053  -2.744
   23    HZ2  LYS   4           HZ2      LYS   4 -15.431   2.359  -1.220
   24    HZ3  LYS   4           HZ3      LYS   4 -14.376   1.630  -2.324
   25    H    ASP   5           HN       ASP   5  -8.982   0.270  -0.643
   26    HA   ASP   5           HA       ASP   5  -6.064   0.297  -0.912
   27    HB2  ASP   5           HB2      ASP   5  -6.084  -2.133  -0.654
   28    HB3  ASP   5           HB1      ASP   5  -6.802  -1.340   0.740
   29    H    TYR   6           HN       TYR   6  -5.344   0.319  -2.889
   30    HA   TYR   6           HA       TYR   6  -7.004  -0.005  -5.170
   31    HB2  TYR   6           HB2      TYR   6  -4.184   0.664  -4.627
   32    HB3  TYR   6           HB1      TYR   6  -4.451  -0.173  -6.151
   33    HD1  TYR   6           HD1      TYR   6  -6.405   2.433  -4.311
   34    HD2  TYR   6           HD2      TYR   6  -4.390   1.334  -7.893
   35    HE1  TYR   6           HE1      TYR   6  -7.111   4.547  -5.351
   36    HE2  TYR   6           HE2      TYR   6  -5.088   3.445  -8.942
   37    HH   TYR   6           HH       TYR   6  -6.982   5.120  -8.624
   38    H    LEU   7           HN       LEU   7  -5.412  -2.221  -3.159
   39    HA   LEU   7           HA       LEU   7  -6.000  -4.395  -5.003
   40    HB2  LEU   7           HB2      LEU   7  -3.276  -3.617  -4.086
   41    HB3  LEU   7           HB1      LEU   7  -3.629  -5.305  -4.244
   42    HG   LEU   7           HG       LEU   7  -4.351  -3.622  -6.556
   43   HD11  LEU   7          HD11      LEU   7  -1.573  -3.973  -5.557
   44   HD12  LEU   7          HD12      LEU   7  -2.324  -2.580  -6.335
   45   HD13  LEU   7          HD13      LEU   7  -1.875  -3.991  -7.293
   46   HD21  LEU   7          HD21      LEU   7  -2.831  -5.831  -7.317
   47   HD22  LEU   7          HD22      LEU   7  -4.586  -5.673  -7.372
   48   HD23  LEU   7          HD23      LEU   7  -3.810  -6.388  -5.962
   49    HA   PRO   8           HA       PRO   8  -6.814  -6.526  -1.217
   50    HB2  PRO   8           HB2      PRO   8  -6.130  -9.059  -1.588
   51    HB3  PRO   8           HB1      PRO   8  -7.363  -8.297  -2.603
   52    HG2  PRO   8           HG2      PRO   8  -4.504  -8.863  -3.185
   53    HG3  PRO   8           HG1      PRO   8  -5.918  -9.022  -4.239
   54    HD2  PRO   8           HD2      PRO   8  -4.151  -6.886  -4.219
   55    HD3  PRO   8           HD1      PRO   8  -5.763  -6.826  -4.920
   56    H    LYS   9           HN       LYS   9  -6.016  -7.786   0.576
   57    HA   LYS   9           HA       LYS   9  -3.805  -6.677   1.786
   58    HB2  LYS   9           HB2      LYS   9  -4.914  -9.419   2.390
   59    HB3  LYS   9           HB1      LYS   9  -4.014  -8.381   3.487
   60    HG2  LYS   9           HG2      LYS   9  -6.402  -7.119   2.379
   61    HG3  LYS   9           HG1      LYS   9  -6.734  -8.562   3.340
   62    HD2  LYS   9           HD2      LYS   9  -4.810  -6.588   4.442
   63    HD3  LYS   9           HD1      LYS   9  -6.518  -6.145   4.431
   64    HE2  LYS   9           HE2      LYS   9  -5.773  -8.841   5.437
   65    HE3  LYS   9           HE1      LYS   9  -5.421  -7.448   6.459
   66    HZ1  LYS   9           HZ1      LYS   9  -7.579  -8.327   6.989
   67    HZ2  LYS   9           HZ2      LYS   9  -8.079  -8.210   5.377
   68    HZ3  LYS   9           HZ3      LYS   9  -7.769  -6.807   6.269
   69    H    SER  10           HN       SER  10  -3.891  -9.292  -0.476
   70    HA   SER  10           HA       SER  10  -1.344 -10.392   0.244
   71    HB2  SER  10           HB2      SER  10  -2.676 -10.777  -2.426
   72    HB3  SER  10           HB1      SER  10  -1.650 -11.899  -1.532
   73    HG   SER  10           HG       SER  10  -3.837 -12.493  -1.375
   74    H    GLU  11           HN       GLU  11  -2.383  -7.746  -1.727
   75    HA   GLU  11           HA       GLU  11   0.175  -7.654  -3.152
   76    HB2  GLU  11           HB2      GLU  11  -2.537  -6.718  -3.596
   77    HB3  GLU  11           HB1      GLU  11  -1.358  -5.458  -3.903
   78    HG2  GLU  11           HG2      GLU  11  -0.651  -8.026  -5.091
   79    HG3  GLU  11           HG1      GLU  11  -2.192  -7.384  -5.669
   80    H    CYS  12           HN       CYS  12  -1.796  -5.828  -0.905
   81    HA   CYS  12           HA       CYS  12   0.289  -3.800  -0.677
   82    HB2  CYS  12           HB2      CYS  12  -2.613  -3.938  -0.065
   83    HB3  CYS  12           HB1      CYS  12  -1.632  -2.816   0.888
   84    H    THR  13           HN       THR  13   1.836  -4.332   0.673
   85    HA   THR  13           HA       THR  13   1.088  -5.483   3.282
   86    HB   THR  13           HB       THR  13   3.470  -6.429   3.240
   87    HG1  THR  13           HG1      THR  13   4.347  -6.660   1.149
   88   HG21  THR  13          HG21      THR  13   1.817  -7.531   0.988
   89   HG22  THR  13          HG22      THR  13   1.349  -7.739   2.679
   90   HG23  THR  13          HG23      THR  13   2.886  -8.386   2.105
   91    H    GLN  14           HN       GLN  14   2.035  -4.600   5.119
   92    HA   GLN  14           HA       GLN  14   2.643  -1.916   5.187
   93    HB2  GLN  14           HB2      GLN  14   3.471  -4.159   7.025
   94    HB3  GLN  14           HB1      GLN  14   3.867  -2.480   7.367
   95    HG2  GLN  14           HG2      GLN  14   1.923  -2.867   8.580
   96    HG3  GLN  14           HG1      GLN  14   1.368  -2.023   7.136
   97   HE21  GLN  14          HE21      GLN  14   0.095  -3.096   5.652
   98   HE22  GLN  14          HE22      GLN  14  -0.590  -4.652   5.956
   99    H    PHE  15           HN       PHE  15   4.652  -4.609   4.400
  100    HA   PHE  15           HA       PHE  15   7.200  -3.477   4.603
  101    HB2  PHE  15           HB2      PHE  15   5.943  -5.794   3.336
  102    HB3  PHE  15           HB1      PHE  15   7.334  -5.203   2.446
  103    HD1  PHE  15           HD1      PHE  15   9.521  -4.942   3.704
  104    HD2  PHE  15           HD2      PHE  15   6.194  -7.093   5.256
  105    HE1  PHE  15           HE1      PHE  15  11.013  -6.104   5.271
  106    HE2  PHE  15           HE2      PHE  15   7.681  -8.262   6.831
  107    HZ   PHE  15           HZ       PHE  15  10.095  -7.768   6.840
  108    H    ARG  16           HN       ARG  16   4.798  -3.412   2.033
  109    HA   ARG  16           HA       ARG  16   6.325  -2.293  -0.007
  110    HB2  ARG  16           HB2      ARG  16   3.396  -1.773   0.508
  111    HB3  ARG  16           HB1      ARG  16   4.230  -1.667  -1.028
  112    HG2  ARG  16           HG2      ARG  16   3.862  -4.174   0.566
  113    HG3  ARG  16           HG1      ARG  16   2.898  -3.698  -0.830
  114    HD2  ARG  16           HD2      ARG  16   4.808  -3.834  -2.271
  115    HD3  ARG  16           HD1      ARG  16   5.887  -4.074  -0.897
  116    HE   ARG  16           HE       ARG  16   3.840  -6.084  -1.156
  117   HH11  ARG  16          HH11      ARG  16   7.062  -5.125  -2.094
  118   HH12  ARG  16          HH12      ARG  16   7.576  -6.741  -2.443
  119   HH21  ARG  16          HH21      ARG  16   4.514  -8.209  -1.614
  120   HH22  ARG  16          HH22      ARG  16   6.130  -8.492  -2.171
  121    H    CYS  17           HN       CYS  17   4.389  -0.630   2.485
  122    HA   CYS  17           HA       CYS  17   5.040   1.960   1.536
  123    HB2  CYS  17           HB2      CYS  17   3.867   0.896   4.068
  124    HB3  CYS  17           HB1      CYS  17   4.399   2.570   3.994
  125    H    ARG  18           HN       ARG  18   6.707  -0.315   3.486
  126    HA   ARG  18           HA       ARG  18   8.424   1.416   4.902
  127    HB2  ARG  18           HB2      ARG  18   8.066  -1.352   4.674
  128    HB3  ARG  18           HB1      ARG  18   9.732  -1.049   4.151
  129    HG2  ARG  18           HG2      ARG  18  10.387  -0.770   6.253
  130    HG3  ARG  18           HG1      ARG  18   9.137   0.439   6.549
  131    HD2  ARG  18           HD2      ARG  18   8.310  -2.410   6.471
  132    HD3  ARG  18           HD1      ARG  18   9.235  -1.868   7.871
  133    HE   ARG  18           HE       ARG  18   7.060  -0.119   7.275
  134   HH11  ARG  18          HH11      ARG  18   7.888  -3.142   8.810
  135   HH12  ARG  18          HH12      ARG  18   6.540  -3.104   9.896
  136   HH21  ARG  18          HH21      ARG  18   5.287  -0.067   8.703
  137   HH22  ARG  18          HH22      ARG  18   5.062  -1.358   9.835
  138    H    THR  19           HN       THR  19   8.859  -0.414   1.977
  139    HA   THR  19           HA       THR  19  11.230   1.185   1.349
  140    HB   THR  19           HB       THR  19  11.773  -1.031   1.875
  141    HG1  THR  19           HG1      THR  19  12.648  -0.172  -0.177
  142   HG21  THR  19          HG21      THR  19  10.795  -2.978   0.747
  143   HG22  THR  19          HG22      THR  19   9.596  -1.910   0.012
  144   HG23  THR  19          HG23      THR  19   9.662  -2.086   1.770
  145    H    SER  20           HN       SER  20   8.218  -0.062   0.034
  146    HA   SER  20           HA       SER  20   8.838   1.045  -2.602
  147    HB2  SER  20           HB2      SER  20   6.255  -0.325  -1.929
  148    HB3  SER  20           HB1      SER  20   7.119  -0.271  -3.465
  149    HG   SER  20           HG       SER  20   8.522  -1.776  -2.747
  150    H    MET  21           HN       MET  21   8.361   3.102  -2.976
  151    HA   MET  21           HA       MET  21   6.466   4.543  -1.362
  152    HB2  MET  21           HB2      MET  21   8.525   5.188  -3.350
  153    HB3  MET  21           HB1      MET  21   7.118   6.239  -3.415
  154    HG2  MET  21           HG2      MET  21   8.243   7.409  -1.876
  155    HG3  MET  21           HG1      MET  21   7.565   6.221  -0.765
  156    HE1  MET  21           HE1      MET  21  11.650   7.334  -0.507
  157    HE2  MET  21           HE2      MET  21  10.079   8.134  -0.454
  158    HE3  MET  21           HE3      MET  21  10.871   7.846  -2.004
  159    H    LYS  22           HN       LYS  22   6.457   3.038  -4.503
  160    HA   LYS  22           HA       LYS  22   4.256   4.432  -5.607
  161    HB2  LYS  22           HB2      LYS  22   5.912   3.102  -6.906
  162    HB3  LYS  22           HB1      LYS  22   5.193   1.635  -6.257
  163    HG2  LYS  22           HG2      LYS  22   3.235   3.405  -7.476
  164    HG3  LYS  22           HG1      LYS  22   4.492   2.888  -8.599
  165    HD2  LYS  22           HD2      LYS  22   3.921   0.550  -7.349
  166    HD3  LYS  22           HD1      LYS  22   2.344   1.342  -7.312
  167    HE2  LYS  22           HE2      LYS  22   2.098   0.507  -9.377
  168    HE3  LYS  22           HE1      LYS  22   3.154   1.830  -9.870
  169    HZ1  LYS  22           HZ1      LYS  22   4.369  -0.686  -8.975
  170    HZ2  LYS  22           HZ2      LYS  22   4.939   0.444 -10.098
  171    HZ3  LYS  22           HZ3      LYS  22   3.695  -0.619 -10.526
  172    H    TYR  23           HN       TYR  23   4.471   1.433  -3.749
  173    HA   TYR  23           HA       TYR  23   1.770   0.660  -4.051
  174    HB2  TYR  23           HB2      TYR  23   3.923  -0.044  -2.084
  175    HB3  TYR  23           HB1      TYR  23   2.292  -0.683  -1.917
  176    HD1  TYR  23           HD1      TYR  23   4.498  -0.156  -4.882
  177    HD2  TYR  23           HD2      TYR  23   2.292  -2.902  -2.504
  178    HE1  TYR  23           HE1      TYR  23   5.058  -1.963  -6.458
  179    HE2  TYR  23           HE2      TYR  23   2.844  -4.715  -4.063
  180    HH   TYR  23           HH       TYR  23   3.498  -4.948  -6.462
  181    H    ARG  24           HN       ARG  24   3.306   2.940  -1.981
  182    HA   ARG  24           HA       ARG  24   1.296   2.946   0.056
  183    HB2  ARG  24           HB2      ARG  24   2.945   5.365  -0.235
  184    HB3  ARG  24           HB1      ARG  24   2.653   4.369   1.177
  185    HG2  ARG  24           HG2      ARG  24   4.222   2.681   0.136
  186    HG3  ARG  24           HG1      ARG  24   4.649   3.942  -1.018
  187    HD2  ARG  24           HD2      ARG  24   5.316   5.403   0.826
  188    HD3  ARG  24           HD1      ARG  24   4.906   4.134   1.979
  189    HE   ARG  24           HE       ARG  24   6.671   2.834   0.537
  190   HH11  ARG  24          HH11      ARG  24   6.804   6.154   1.640
  191   HH12  ARG  24          HH12      ARG  24   8.533   6.199   1.680
  192   HH21  ARG  24          HH21      ARG  24   8.944   2.904   0.602
  193   HH22  ARG  24          HH22      ARG  24   9.747   4.357   1.092
  194    H    LEU  25           HN       LEU  25   2.201   5.474  -2.282
  195    HA   LEU  25           HA       LEU  25  -0.384   6.745  -1.859
  196    HB2  LEU  25           HB2      LEU  25   1.861   7.704  -3.614
  197    HB3  LEU  25           HB1      LEU  25   0.550   8.649  -2.927
  198    HG   LEU  25           HG       LEU  25   2.259   9.276  -1.536
  199   HD11  LEU  25          HD11      LEU  25   1.656   8.580   0.515
  200   HD12  LEU  25          HD12      LEU  25   1.887   6.876   0.128
  201   HD13  LEU  25          HD13      LEU  25   0.405   7.700  -0.359
  202   HD21  LEU  25          HD21      LEU  25   4.240   8.326  -1.815
  203   HD22  LEU  25          HD22      LEU  25   3.501   6.892  -2.523
  204   HD23  LEU  25          HD23      LEU  25   3.719   7.000  -0.776
  205    H    ASN  26           HN       ASN  26   1.485   5.375  -4.541
  206    HA   ASN  26           HA       ASN  26  -0.445   6.030  -6.518
  207    HB2  ASN  26           HB2      ASN  26   2.125   5.324  -6.620
  208    HB3  ASN  26           HB1      ASN  26   1.402   3.750  -6.957
  209   HD21  ASN  26          HD21      ASN  26   2.311   6.729  -8.228
  210   HD22  ASN  26          HD22      ASN  26   1.588   6.570  -9.788
  211    H    LEU  27           HN       LEU  27   0.150   3.135  -4.580
  212    HA   LEU  27           HA       LEU  27  -2.094   1.787  -5.869
  213    HB2  LEU  27           HB2      LEU  27   0.299   0.841  -5.089
  214    HB3  LEU  27           HB1      LEU  27  -0.623   0.504  -3.641
  215    HG   LEU  27           HG       LEU  27  -2.297  -0.651  -5.231
  216   HD11  LEU  27          HD11      LEU  27  -1.761  -0.273  -7.387
  217   HD12  LEU  27          HD12      LEU  27  -0.679  -1.644  -7.142
  218   HD13  LEU  27          HD13      LEU  27  -0.056   0.002  -7.028
  219   HD21  LEU  27          HD21      LEU  27  -1.409  -2.344  -4.093
  220   HD22  LEU  27          HD22      LEU  27   0.153  -1.532  -3.983
  221   HD23  LEU  27          HD23      LEU  27  -0.232  -2.515  -5.395
  222    H    CYS  28           HN       CYS  28  -2.109   0.438  -2.893
  223    HA   CYS  28           HA       CYS  28  -4.489   1.812  -2.104
  224    HB2  CYS  28           HB2      CYS  28  -4.401   0.305  -0.173
  225    HB3  CYS  28           HB1      CYS  28  -4.116  -0.581  -1.674
  226    H    LYS  29           HN       LYS  29  -4.811   3.089  -0.319
  227    HA   LYS  29           HA       LYS  29  -2.555   4.684   0.503
  228    HB2  LYS  29           HB2      LYS  29  -5.486   4.875   1.210
  229    HB3  LYS  29           HB1      LYS  29  -4.255   6.039   1.687
  230    HG2  LYS  29           HG2      LYS  29  -4.088   5.660  -1.128
  231    HG3  LYS  29           HG1      LYS  29  -5.775   5.955  -0.698
  232    HD2  LYS  29           HD2      LYS  29  -5.302   8.127  -0.590
  233    HD3  LYS  29           HD1      LYS  29  -4.283   7.787   0.810
  234    HE2  LYS  29           HE2      LYS  29  -2.698   8.743  -0.491
  235    HE3  LYS  29           HE1      LYS  29  -2.582   7.109  -1.143
  236    HZ1  LYS  29           HZ1      LYS  29  -2.775   8.987  -2.800
  237    HZ2  LYS  29           HZ2      LYS  29  -4.387   9.142  -2.312
  238    HZ3  LYS  29           HZ3      LYS  29  -3.849   7.696  -3.006
  239    H    LYS  30           HN       LYS  30  -5.118   2.908   2.181
  240    HA   LYS  30           HA       LYS  30  -3.674   2.973   4.658
  241    HB2  LYS  30           HB2      LYS  30  -6.051   3.220   4.726
  242    HB3  LYS  30           HB1      LYS  30  -6.283   1.702   3.866
  243    HG2  LYS  30           HG2      LYS  30  -6.721   1.104   6.046
  244    HG3  LYS  30           HG1      LYS  30  -5.020   0.661   5.869
  245    HD2  LYS  30           HD2      LYS  30  -4.302   2.308   7.249
  246    HD3  LYS  30           HD1      LYS  30  -5.599   3.411   6.784
  247    HE2  LYS  30           HE2      LYS  30  -6.495   2.932   8.777
  248    HE3  LYS  30           HE1      LYS  30  -6.960   1.395   8.049
  249    HZ1  LYS  30           HZ1      LYS  30  -5.289   0.282   9.106
  250    HZ2  LYS  30           HZ2      LYS  30  -5.610   1.471  10.265
  251    HZ3  LYS  30           HZ3      LYS  30  -4.285   1.639   9.227
  252    H    THR  31           HN       THR  31  -4.911   0.232   2.682
  253    HA   THR  31           HA       THR  31  -3.926  -1.797   4.210
  254    HB   THR  31           HB       THR  31  -4.010  -1.766   1.197
  255    HG1  THR  31           HG1      THR  31  -6.056  -2.864   1.701
  256   HG21  THR  31          HG21      THR  31  -2.732  -3.660   2.299
  257   HG22  THR  31          HG22      THR  31  -4.068  -4.102   1.234
  258   HG23  THR  31          HG23      THR  31  -4.279  -4.152   2.982
  259    H    CYS  32           HN       CYS  32  -2.040   0.231   2.093
  260    HA   CYS  32           HA       CYS  32   0.256  -1.500   2.101
  261    HB2  CYS  32           HB2      CYS  32   0.162   0.023   0.287
  262    HB3  CYS  32           HB1      CYS  32  -0.087   1.404   1.349
  263    H    GLY  33           HN       GLY  33  -1.118   0.565   4.370
  264    HA2  GLY  33           HA2      GLY  33  -0.464   0.794   6.600
  265    HA3  GLY  33           HA1      GLY  33   1.105   0.125   6.184
  266    H    THR  34           HN       THR  34  -0.734   2.995   5.108
  267    HA   THR  34           HA       THR  34   1.423   4.690   6.123
  268    HB   THR  34           HB       THR  34   2.150   4.499   3.893
  269    HG1  THR  34           HG1      THR  34   2.217   6.555   3.536
  270   HG21  THR  34          HG21      THR  34   0.874   4.541   1.951
  271   HG22  THR  34          HG22      THR  34  -0.545   5.161   2.792
  272   HG23  THR  34          HG23      THR  34  -0.022   3.496   3.052
  273    H    CYS  35           HN       CYS  35  -1.844   4.417   4.839
  274    HA   CYS  35           HA       CYS  35  -2.776   6.986   5.052
  275    HB2  CYS  35           HB2      CYS  35  -4.162   5.164   4.218
  276    HB3  CYS  35           HB1      CYS  35  -4.226   4.447   5.824
  Start of MODEL   17
    1    H1   ALA   2           HT1      ALA   2 -11.426   9.349   4.354
    2    H2   ALA   2           HT2      ALA   2 -10.077   8.353   4.722
    3    H3   ALA   2           HT3      ALA   2 -11.306   8.605   5.894
    4    HA   ALA   2           HA       ALA   2 -11.816   6.568   5.129
    5    HB1  ALA   2           HB1      ALA   2 -13.901   6.823   4.227
    6    HB2  ALA   2           HB2      ALA   2 -13.370   8.035   3.060
    7    HB3  ALA   2           HB3      ALA   2 -13.591   8.478   4.753
    8    H    CYS   3           HN       CYS   3  -9.430   6.564   4.087
    9    HA   CYS   3           HA       CYS   3  -9.360   6.497   1.228
   10    HB2  CYS   3           HB2      CYS   3  -7.082   5.697   1.491
   11    HB3  CYS   3           HB1      CYS   3  -7.372   7.021   2.613
   12    H    LYS   4           HN       LYS   4  -8.001   4.242   0.543
   13    HA   LYS   4           HA       LYS   4  -9.302   1.878   1.530
   14    HB2  LYS   4           HB2      LYS   4 -10.228   3.210  -0.961
   15    HB3  LYS   4           HB1      LYS   4 -10.074   1.458  -0.998
   16    HG2  LYS   4           HG2      LYS   4 -11.412   1.856   1.346
   17    HG3  LYS   4           HG1      LYS   4 -12.053   3.148   0.329
   18    HD2  LYS   4           HD2      LYS   4 -12.201   1.165  -1.432
   19    HD3  LYS   4           HD1      LYS   4 -12.292   0.200   0.043
   20    HE2  LYS   4           HE2      LYS   4 -14.511   0.631  -0.277
   21    HE3  LYS   4           HE1      LYS   4 -14.075   2.023   0.713
   22    HZ1  LYS   4           HZ1      LYS   4 -15.158   3.055  -0.982
   23    HZ2  LYS   4           HZ2      LYS   4 -14.723   1.900  -2.138
   24    HZ3  LYS   4           HZ3      LYS   4 -13.597   3.058  -1.636
   25    H    ASP   5           HN       ASP   5  -8.846   0.042  -0.235
   26    HA   ASP   5           HA       ASP   5  -5.986   0.239  -0.815
   27    HB2  ASP   5           HB2      ASP   5  -5.934  -2.194  -0.603
   28    HB3  ASP   5           HB1      ASP   5  -6.638  -1.466   0.834
   29    H    TYR   6           HN       TYR   6  -5.365   0.244  -2.841
   30    HA   TYR   6           HA       TYR   6  -7.221   0.002  -5.001
   31    HB2  TYR   6           HB2      TYR   6  -4.895   1.344  -4.697
   32    HB3  TYR   6           HB1      TYR   6  -4.314  -0.058  -5.592
   33    HD1  TYR   6           HD1      TYR   6  -5.517  -0.618  -7.796
   34    HD2  TYR   6           HD2      TYR   6  -5.908   3.125  -5.813
   35    HE1  TYR   6           HE1      TYR   6  -6.289   0.406  -9.894
   36    HE2  TYR   6           HE2      TYR   6  -6.682   4.160  -7.905
   37    HH   TYR   6           HH       TYR   6  -7.762   3.428 -10.032
   38    H    LEU   7           HN       LEU   7  -5.647  -2.304  -3.200
   39    HA   LEU   7           HA       LEU   7  -6.177  -4.363  -5.165
   40    HB2  LEU   7           HB2      LEU   7  -3.429  -3.601  -4.282
   41    HB3  LEU   7           HB1      LEU   7  -3.780  -5.272  -4.608
   42    HG   LEU   7           HG       LEU   7  -4.506  -3.315  -6.711
   43   HD11  LEU   7          HD11      LEU   7  -2.455  -2.399  -6.619
   44   HD12  LEU   7          HD12      LEU   7  -1.969  -3.892  -7.425
   45   HD13  LEU   7          HD13      LEU   7  -1.790  -3.733  -5.677
   46   HD21  LEU   7          HD21      LEU   7  -3.128  -5.483  -7.758
   47   HD22  LEU   7          HD22      LEU   7  -4.879  -5.279  -7.696
   48   HD23  LEU   7          HD23      LEU   7  -4.048  -6.160  -6.414
   49    HA   PRO   8           HA       PRO   8  -6.910  -7.105  -1.794
   50    HB2  PRO   8           HB2      PRO   8  -4.554  -8.763  -2.534
   51    HB3  PRO   8           HB1      PRO   8  -6.236  -9.244  -2.263
   52    HG2  PRO   8           HG2      PRO   8  -5.350  -9.094  -4.702
   53    HG3  PRO   8           HG1      PRO   8  -6.935  -8.398  -4.303
   54    HD2  PRO   8           HD2      PRO   8  -4.296  -6.989  -4.659
   55    HD3  PRO   8           HD1      PRO   8  -5.880  -6.552  -5.331
   56    H    LYS   9           HN       LYS   9  -6.100  -8.089   0.089
   57    HA   LYS   9           HA       LYS   9  -4.538  -6.342   1.643
   58    HB2  LYS   9           HB2      LYS   9  -5.133  -9.247   2.225
   59    HB3  LYS   9           HB1      LYS   9  -4.674  -8.019   3.395
   60    HG2  LYS   9           HG2      LYS   9  -7.122  -7.632   1.736
   61    HG3  LYS   9           HG1      LYS   9  -7.165  -8.712   3.131
   62    HD2  LYS   9           HD2      LYS   9  -5.979  -6.605   4.268
   63    HD3  LYS   9           HD1      LYS   9  -6.889  -5.764   3.011
   64    HE2  LYS   9           HE2      LYS   9  -8.758  -7.491   3.991
   65    HE3  LYS   9           HE1      LYS   9  -7.825  -7.116   5.439
   66    HZ1  LYS   9           HZ1      LYS   9  -8.466  -4.953   5.407
   67    HZ2  LYS   9           HZ2      LYS   9  -9.827  -5.623   4.658
   68    HZ3  LYS   9           HZ3      LYS   9  -8.623  -4.887   3.724
   69    H    SER  10           HN       SER  10  -3.625  -8.877  -0.481
   70    HA   SER  10           HA       SER  10  -1.051  -9.339   0.750
   71    HB2  SER  10           HB2      SER  10  -2.142 -10.315  -1.897
   72    HB3  SER  10           HB1      SER  10  -0.674 -10.890  -1.107
   73    HG   SER  10           HG       SER  10  -1.890 -11.796   0.493
   74    H    GLU  11           HN       GLU  11  -2.283  -7.674  -2.145
   75    HA   GLU  11           HA       GLU  11   0.180  -7.100  -3.333
   76    HB2  GLU  11           HB2      GLU  11  -2.577  -6.258  -3.587
   77    HB3  GLU  11           HB1      GLU  11  -1.474  -4.911  -3.866
   78    HG2  GLU  11           HG2      GLU  11  -0.948  -7.512  -5.220
   79    HG3  GLU  11           HG1      GLU  11  -2.262  -6.496  -5.807
   80    H    CYS  12           HN       CYS  12  -1.639  -5.383  -0.880
   81    HA   CYS  12           HA       CYS  12   0.548  -3.437  -0.701
   82    HB2  CYS  12           HB2      CYS  12  -1.464  -2.502   0.977
   83    HB3  CYS  12           HB1      CYS  12  -1.104  -1.947  -0.655
   84    H    THR  13           HN       THR  13   2.029  -4.232   0.553
   85    HA   THR  13           HA       THR  13   1.242  -5.406   3.134
   86    HB   THR  13           HB       THR  13   3.638  -6.362   3.002
   87    HG1  THR  13           HG1      THR  13   4.726  -6.050   1.244
   88   HG21  THR  13          HG21      THR  13   2.997  -8.258   1.783
   89   HG22  THR  13          HG22      THR  13   1.879  -7.339   0.772
   90   HG23  THR  13          HG23      THR  13   1.495  -7.639   2.469
   91    H    GLN  14           HN       GLN  14   2.398  -4.789   5.014
   92    HA   GLN  14           HA       GLN  14   2.983  -2.116   5.344
   93    HB2  GLN  14           HB2      GLN  14   4.375  -4.323   6.868
   94    HB3  GLN  14           HB1      GLN  14   4.012  -2.697   7.432
   95    HG2  GLN  14           HG2      GLN  14   2.086  -4.951   6.940
   96    HG3  GLN  14           HG1      GLN  14   2.470  -4.162   8.469
   97   HE21  GLN  14          HE21      GLN  14   0.458  -4.174   5.732
   98   HE22  GLN  14          HE22      GLN  14  -0.424  -2.730   6.078
   99    H    PHE  15           HN       PHE  15   4.871  -4.648   3.998
  100    HA   PHE  15           HA       PHE  15   7.438  -3.489   4.104
  101    HB2  PHE  15           HB2      PHE  15   6.102  -5.753   2.803
  102    HB3  PHE  15           HB1      PHE  15   7.421  -5.088   1.860
  103    HD1  PHE  15           HD1      PHE  15   9.649  -4.685   3.218
  104    HD2  PHE  15           HD2      PHE  15   6.545  -7.358   4.372
  105    HE1  PHE  15           HE1      PHE  15  11.247  -5.934   4.610
  106    HE2  PHE  15           HE2      PHE  15   8.137  -8.612   5.766
  107    HZ   PHE  15           HZ       PHE  15  10.491  -7.900   5.888
  108    H    ARG  16           HN       ARG  16   5.062  -3.683   1.435
  109    HA   ARG  16           HA       ARG  16   6.377  -2.160  -0.456
  110    HB2  ARG  16           HB2      ARG  16   3.402  -2.193   0.083
  111    HB3  ARG  16           HB1      ARG  16   4.164  -1.665  -1.407
  112    HG2  ARG  16           HG2      ARG  16   4.488  -4.434  -0.321
  113    HG3  ARG  16           HG1      ARG  16   3.173  -3.975  -1.402
  114    HD2  ARG  16           HD2      ARG  16   4.665  -4.664  -2.971
  115    HD3  ARG  16           HD1      ARG  16   5.222  -3.000  -2.803
  116    HE   ARG  16           HE       ARG  16   6.550  -4.700  -0.963
  117   HH11  ARG  16          HH11      ARG  16   6.469  -3.826  -4.341
  118   HH12  ARG  16          HH12      ARG  16   8.130  -4.234  -4.614
  119   HH21  ARG  16          HH21      ARG  16   8.734  -5.236  -1.321
  120   HH22  ARG  16          HH22      ARG  16   9.416  -5.035  -2.901
  121    H    CYS  17           HN       CYS  17   4.063  -0.987   1.979
  122    HA   CYS  17           HA       CYS  17   4.364   1.729   1.297
  123    HB2  CYS  17           HB2      CYS  17   2.703   0.308   2.946
  124    HB3  CYS  17           HB1      CYS  17   3.667   1.225   4.088
  125    H    ARG  18           HN       ARG  18   6.496  -0.393   2.802
  126    HA   ARG  18           HA       ARG  18   7.812   1.548   4.490
  127    HB2  ARG  18           HB2      ARG  18   7.706  -1.245   4.381
  128    HB3  ARG  18           HB1      ARG  18   9.369  -0.822   3.939
  129    HG2  ARG  18           HG2      ARG  18   7.917   0.047   6.448
  130    HG3  ARG  18           HG1      ARG  18   9.135  -1.226   6.337
  131    HD2  ARG  18           HD2      ARG  18  10.703   0.532   5.422
  132    HD3  ARG  18           HD1      ARG  18   9.495   1.729   5.890
  133    HE   ARG  18           HE       ARG  18   9.952   0.221   8.143
  134   HH11  ARG  18          HH11      ARG  18  11.877   2.204   6.013
  135   HH12  ARG  18          HH12      ARG  18  12.997   2.666   7.250
  136   HH21  ARG  18          HH21      ARG  18  11.426   0.827   9.773
  137   HH22  ARG  18          HH22      ARG  18  12.742   1.884   9.384
  138    H    THR  19           HN       THR  19   8.583  -0.355   1.686
  139    HA   THR  19           HA       THR  19  10.856   1.405   1.129
  140    HB   THR  19           HB       THR  19  11.508  -0.762   1.777
  141    HG1  THR  19           HG1      THR  19  12.711  -0.097   0.008
  142   HG21  THR  19          HG21      THR  19  10.760  -2.794   0.635
  143   HG22  THR  19          HG22      THR  19   9.569  -1.832  -0.244
  144   HG23  THR  19          HG23      THR  19   9.478  -1.956   1.517
  145    H    SER  20           HN       SER  20   8.034  -0.126  -0.300
  146    HA   SER  20           HA       SER  20   8.728   0.768  -2.971
  147    HB2  SER  20           HB2      SER  20   7.595  -1.394  -2.665
  148    HB3  SER  20           HB1      SER  20   6.211  -0.568  -1.950
  149    HG   SER  20           HG       SER  20   6.385  -1.125  -4.398
  150    H    MET  21           HN       MET  21   8.790   3.038  -2.627
  151    HA   MET  21           HA       MET  21   6.919   4.685  -1.505
  152    HB2  MET  21           HB2      MET  21   8.963   4.967  -3.587
  153    HB3  MET  21           HB1      MET  21   7.664   6.145  -3.704
  154    HG2  MET  21           HG2      MET  21   8.489   7.318  -2.025
  155    HG3  MET  21           HG1      MET  21   8.522   5.899  -0.980
  156    HE1  MET  21           HE1      MET  21  11.903   6.522  -0.022
  157    HE2  MET  21           HE2      MET  21  11.275   4.885  -0.205
  158    HE3  MET  21           HE3      MET  21  10.206   6.185   0.320
  159    H    LYS  22           HN       LYS  22   6.863   3.469  -4.852
  160    HA   LYS  22           HA       LYS  22   4.601   4.854  -5.708
  161    HB2  LYS  22           HB2      LYS  22   6.119   3.589  -7.196
  162    HB3  LYS  22           HB1      LYS  22   5.483   2.086  -6.544
  163    HG2  LYS  22           HG2      LYS  22   3.376   3.824  -7.508
  164    HG3  LYS  22           HG1      LYS  22   4.560   3.453  -8.763
  165    HD2  LYS  22           HD2      LYS  22   4.018   1.052  -7.353
  166    HD3  LYS  22           HD1      LYS  22   2.470   1.809  -7.731
  167    HE2  LYS  22           HE2      LYS  22   3.762   2.126 -10.082
  168    HE3  LYS  22           HE1      LYS  22   4.493   0.624  -9.516
  169    HZ1  LYS  22           HZ1      LYS  22   1.602   0.797  -9.290
  170    HZ2  LYS  22           HZ2      LYS  22   2.576  -0.503  -9.760
  171    HZ3  LYS  22           HZ3      LYS  22   2.212   0.722 -10.867
  172    H    TYR  23           HN       TYR  23   4.759   1.496  -4.536
  173    HA   TYR  23           HA       TYR  23   2.085   0.880  -4.533
  174    HB2  TYR  23           HB2      TYR  23   4.384   0.001  -2.836
  175    HB3  TYR  23           HB1      TYR  23   2.761  -0.554  -2.441
  176    HD1  TYR  23           HD1      TYR  23   4.421  -0.018  -5.727
  177    HD2  TYR  23           HD2      TYR  23   2.650  -2.782  -3.032
  178    HE1  TYR  23           HE1      TYR  23   4.628  -1.792  -7.424
  179    HE2  TYR  23           HE2      TYR  23   2.850  -4.567  -4.710
  180    HH   TYR  23           HH       TYR  23   4.524  -4.921  -6.830
  181    H    ARG  24           HN       ARG  24   3.915   2.396  -1.912
  182    HA   ARG  24           HA       ARG  24   2.113   2.443   0.116
  183    HB2  ARG  24           HB2      ARG  24   3.448   5.044  -0.421
  184    HB3  ARG  24           HB1      ARG  24   3.313   4.156   1.079
  185    HG2  ARG  24           HG2      ARG  24   4.975   2.518   0.050
  186    HG3  ARG  24           HG1      ARG  24   5.244   3.766  -1.161
  187    HD2  ARG  24           HD2      ARG  24   5.914   5.341   0.509
  188    HD3  ARG  24           HD1      ARG  24   5.474   4.228   1.800
  189    HE   ARG  24           HE       ARG  24   7.339   2.834   0.446
  190   HH11  ARG  24          HH11      ARG  24   7.267   6.095   1.704
  191   HH12  ARG  24          HH12      ARG  24   8.977   6.170   1.964
  192   HH21  ARG  24          HH21      ARG  24   9.599   2.943   0.791
  193   HH22  ARG  24          HH22      ARG  24  10.298   4.380   1.452
  194    H    LEU  25           HN       LEU  25   2.402   5.160  -2.149
  195    HA   LEU  25           HA       LEU  25  -0.239   6.101  -1.364
  196    HB2  LEU  25           HB2      LEU  25   1.689   7.410  -3.256
  197    HB3  LEU  25           HB1      LEU  25   0.374   8.160  -2.364
  198    HG   LEU  25           HG       LEU  25   2.116   8.858  -1.074
  199   HD11  LEU  25          HD11      LEU  25   0.617   7.195   0.225
  200   HD12  LEU  25          HD12      LEU  25   2.124   7.738   0.959
  201   HD13  LEU  25          HD13      LEU  25   2.036   6.148   0.204
  202   HD21  LEU  25          HD21      LEU  25   3.993   6.868  -0.694
  203   HD22  LEU  25          HD22      LEU  25   4.123   8.235  -1.800
  204   HD23  LEU  25          HD23      LEU  25   3.519   6.685  -2.383
  205    H    ASN  26           HN       ASN  26   1.443   5.025  -4.257
  206    HA   ASN  26           HA       ASN  26  -0.640   5.690  -6.054
  207    HB2  ASN  26           HB2      ASN  26   1.893   5.190  -6.434
  208    HB3  ASN  26           HB1      ASN  26   1.338   3.528  -6.637
  209   HD21  ASN  26          HD21      ASN  26   0.900   6.821  -7.809
  210   HD22  ASN  26          HD22      ASN  26   0.404   6.381  -9.405
  211    H    LEU  27           HN       LEU  27   0.142   2.697  -4.315
  212    HA   LEU  27           HA       LEU  27  -2.116   1.390  -5.619
  213    HB2  LEU  27           HB2      LEU  27   0.233   0.456  -4.095
  214    HB3  LEU  27           HB1      LEU  27  -1.237  -0.472  -3.873
  215    HG   LEU  27           HG       LEU  27  -1.360  -0.596  -6.420
  216   HD11  LEU  27          HD11      LEU  27   1.579  -0.016  -6.240
  217   HD12  LEU  27          HD12      LEU  27   0.395   1.216  -6.675
  218   HD13  LEU  27          HD13      LEU  27   0.583  -0.220  -7.681
  219   HD21  LEU  27          HD21      LEU  27   0.991  -1.992  -5.178
  220   HD22  LEU  27          HD22      LEU  27  -0.089  -2.577  -6.444
  221   HD23  LEU  27          HD23      LEU  27  -0.681  -2.402  -4.791
  222    H    CYS  28           HN       CYS  28  -1.687   0.217  -2.421
  223    HA   CYS  28           HA       CYS  28  -4.277   1.339  -1.731
  224    HB2  CYS  28           HB2      CYS  28  -2.593  -0.471  -0.012
  225    HB3  CYS  28           HB1      CYS  28  -4.340  -0.258   0.018
  226    H    LYS  29           HN       LYS  29  -4.698   2.624   0.018
  227    HA   LYS  29           HA       LYS  29  -2.528   4.333   0.850
  228    HB2  LYS  29           HB2      LYS  29  -5.506   4.407   1.141
  229    HB3  LYS  29           HB1      LYS  29  -4.501   5.435   2.155
  230    HG2  LYS  29           HG2      LYS  29  -4.065   5.435  -0.792
  231    HG3  LYS  29           HG1      LYS  29  -5.442   6.311  -0.118
  232    HD2  LYS  29           HD2      LYS  29  -2.621   6.679   0.866
  233    HD3  LYS  29           HD1      LYS  29  -3.321   7.651  -0.430
  234    HE2  LYS  29           HE2      LYS  29  -5.250   7.960   1.367
  235    HE3  LYS  29           HE1      LYS  29  -3.922   7.631   2.479
  236    HZ1  LYS  29           HZ1      LYS  29  -4.407   9.951   0.810
  237    HZ2  LYS  29           HZ2      LYS  29  -2.800   9.426   0.860
  238    HZ3  LYS  29           HZ3      LYS  29  -3.601   9.831   2.293
  239    H    LYS  30           HN       LYS  30  -5.063   2.540   2.553
  240    HA   LYS  30           HA       LYS  30  -3.636   2.722   5.045
  241    HB2  LYS  30           HB2      LYS  30  -6.011   2.914   5.130
  242    HB3  LYS  30           HB1      LYS  30  -6.222   1.405   4.251
  243    HG2  LYS  30           HG2      LYS  30  -6.677   0.801   6.433
  244    HG3  LYS  30           HG1      LYS  30  -4.985   0.334   6.239
  245    HD2  LYS  30           HD2      LYS  30  -4.218   2.043   7.567
  246    HD3  LYS  30           HD1      LYS  30  -5.624   3.061   7.253
  247    HE2  LYS  30           HE2      LYS  30  -6.731   2.245   9.016
  248    HE3  LYS  30           HE1      LYS  30  -6.321   0.581   8.602
  249    HZ1  LYS  30           HZ1      LYS  30  -4.357   2.398   9.861
  250    HZ2  LYS  30           HZ2      LYS  30  -4.324   0.709   9.778
  251    HZ3  LYS  30           HZ3      LYS  30  -5.441   1.484  10.784
  252    H    THR  31           HN       THR  31  -4.789  -0.007   3.063
  253    HA   THR  31           HA       THR  31  -3.866  -2.085   4.530
  254    HB   THR  31           HB       THR  31  -3.758  -1.886   1.524
  255    HG1  THR  31           HG1      THR  31  -5.827  -1.558   2.661
  256   HG21  THR  31          HG21      THR  31  -2.576  -3.814   1.931
  257   HG22  THR  31          HG22      THR  31  -4.231  -4.406   1.805
  258   HG23  THR  31          HG23      THR  31  -3.486  -4.193   3.391
  259    H    CYS  32           HN       CYS  32  -1.863   0.024   2.554
  260    HA   CYS  32           HA       CYS  32   0.448  -1.699   2.792
  261    HB2  CYS  32           HB2      CYS  32   1.693  -0.006   1.658
  262    HB3  CYS  32           HB1      CYS  32   0.112  -0.051   0.903
  263    H    GLY  33           HN       GLY  33  -1.074   0.552   4.810
  264    HA2  GLY  33           HA2      GLY  33  -0.547   0.869   7.076
  265    HA3  GLY  33           HA1      GLY  33   1.067   0.255   6.764
  266    H    THR  34           HN       THR  34  -0.992   3.044   5.936
  267    HA   THR  34           HA       THR  34   1.024   4.878   6.863
  268    HB   THR  34           HB       THR  34   1.917   4.548   4.640
  269    HG1  THR  34           HG1      THR  34   1.914   6.636   4.003
  270   HG21  THR  34          HG21      THR  34   0.741   4.779   2.636
  271   HG22  THR  34          HG22      THR  34  -0.688   5.415   3.454
  272   HG23  THR  34          HG23      THR  34  -0.238   3.722   3.649
  273    H    CYS  35           HN       CYS  35  -2.070   4.324   5.276
  274    HA   CYS  35           HA       CYS  35  -3.172   6.858   5.373
  275    HB2  CYS  35           HB2      CYS  35  -4.131   4.632   4.441
  276    HB3  CYS  35           HB1      CYS  35  -4.812   4.435   6.052
  Start of MODEL   18
    1    H1   ALA   2           HT1      ALA   2 -11.496  10.909   2.034
    2    H2   ALA   2           HT2      ALA   2  -9.852  10.565   2.384
    3    H3   ALA   2           HT3      ALA   2 -11.094   9.950   3.396
    4    HA   ALA   2           HA       ALA   2 -11.792   8.439   1.870
    5    HB1  ALA   2           HB1      ALA   2 -11.865  10.044  -0.009
    6    HB2  ALA   2           HB2      ALA   2 -11.205   8.474  -0.468
    7    HB3  ALA   2           HB3      ALA   2 -10.125   9.844  -0.212
    8    H    CYS   3           HN       CYS   3 -10.850   6.596   2.411
    9    HA   CYS   3           HA       CYS   3  -8.034   6.166   1.816
   10    HB2  CYS   3           HB2      CYS   3  -7.953   7.038   4.086
   11    HB3  CYS   3           HB1      CYS   3  -9.175   5.881   4.604
   12    H    LYS   4           HN       LYS   4  -7.993   4.340   0.706
   13    HA   LYS   4           HA       LYS   4  -9.355   1.984   1.724
   14    HB2  LYS   4           HB2      LYS   4 -10.093   3.380  -0.807
   15    HB3  LYS   4           HB1      LYS   4 -10.106   1.622  -0.799
   16    HG2  LYS   4           HG2      LYS   4 -11.597   3.308   1.196
   17    HG3  LYS   4           HG1      LYS   4 -12.302   2.700  -0.304
   18    HD2  LYS   4           HD2      LYS   4 -12.288   0.516   0.418
   19    HD3  LYS   4           HD1      LYS   4 -10.953   0.784   1.540
   20    HE2  LYS   4           HE2      LYS   4 -12.826   0.503   2.915
   21    HE3  LYS   4           HE1      LYS   4 -12.580   2.248   2.853
   22    HZ1  LYS   4           HZ1      LYS   4 -14.726   0.631   1.702
   23    HZ2  LYS   4           HZ2      LYS   4 -14.242   2.006   0.845
   24    HZ3  LYS   4           HZ3      LYS   4 -14.795   2.154   2.436
   25    H    ASP   5           HN       ASP   5  -8.944   0.185  -0.193
   26    HA   ASP   5           HA       ASP   5  -6.065   0.342  -0.713
   27    HB2  ASP   5           HB2      ASP   5  -5.958  -2.080  -0.390
   28    HB3  ASP   5           HB1      ASP   5  -6.612  -1.282   1.035
   29    H    TYR   6           HN       TYR   6  -5.461   0.265  -2.727
   30    HA   TYR   6           HA       TYR   6  -7.337  -0.189  -4.844
   31    HB2  TYR   6           HB2      TYR   6  -4.993   1.238  -4.598
   32    HB3  TYR   6           HB1      TYR   6  -4.504  -0.126  -5.598
   33    HD1  TYR   6           HD2      TYR   6  -5.855  -0.594  -7.712
   34    HD2  TYR   6           HD1      TYR   6  -6.155   3.044  -5.528
   35    HE1  TYR   6           HE2      TYR   6  -6.821   0.506  -9.688
   36    HE2  TYR   6           HE1      TYR   6  -7.122   4.155  -7.497
   37    HH   TYR   6           HH       TYR   6  -8.442   3.356  -9.597
   38    H    LEU   7           HN       LEU   7  -5.561  -2.286  -2.944
   39    HA   LEU   7           HA       LEU   7  -5.961  -4.444  -4.858
   40    HB2  LEU   7           HB2      LEU   7  -3.306  -3.532  -3.859
   41    HB3  LEU   7           HB1      LEU   7  -3.557  -5.232  -4.082
   42    HG   LEU   7           HG       LEU   7  -4.271  -3.430  -6.327
   43   HD11  LEU   7          HD11      LEU   7  -1.786  -3.899  -7.042
   44   HD12  LEU   7          HD12      LEU   7  -1.529  -3.927  -5.298
   45   HD13  LEU   7          HD13      LEU   7  -2.204  -2.490  -6.066
   46   HD21  LEU   7          HD21      LEU   7  -3.641  -6.258  -5.892
   47   HD22  LEU   7          HD22      LEU   7  -2.947  -5.557  -7.350
   48   HD23  LEU   7          HD23      LEU   7  -4.689  -5.497  -7.085
   49    HA   PRO   8           HA       PRO   8  -6.695  -6.760  -1.173
   50    HB2  PRO   8           HB2      PRO   8  -5.904  -9.237  -1.690
   51    HB3  PRO   8           HB1      PRO   8  -7.180  -8.475  -2.651
   52    HG2  PRO   8           HG2      PRO   8  -4.306  -8.882  -3.287
   53    HG3  PRO   8           HG1      PRO   8  -5.722  -9.042  -4.338
   54    HD2  PRO   8           HD2      PRO   8  -4.047  -6.833  -4.208
   55    HD3  PRO   8           HD1      PRO   8  -5.665  -6.804  -4.895
   56    H    LYS   9           HN       LYS   9  -5.815  -8.080   0.546
   57    HA   LYS   9           HA       LYS   9  -3.623  -6.937   1.772
   58    HB2  LYS   9           HB2      LYS   9  -4.580  -9.749   2.292
   59    HB3  LYS   9           HB1      LYS   9  -3.768  -8.673   3.421
   60    HG2  LYS   9           HG2      LYS   9  -6.158  -7.440   2.401
   61    HG3  LYS   9           HG1      LYS   9  -6.516  -9.028   3.081
   62    HD2  LYS   9           HD2      LYS   9  -5.828  -8.425   5.197
   63    HD3  LYS   9           HD1      LYS   9  -4.761  -7.152   4.601
   64    HE2  LYS   9           HE2      LYS   9  -7.765  -7.107   4.790
   65    HE3  LYS   9           HE1      LYS   9  -6.614  -6.093   5.659
   66    HZ1  LYS   9           HZ1      LYS   9  -7.509  -5.922   2.874
   67    HZ2  LYS   9           HZ2      LYS   9  -5.936  -5.421   3.239
   68    HZ3  LYS   9           HZ3      LYS   9  -7.254  -4.687   4.002
   69    H    SER  10           HN       SER  10  -3.657  -9.445  -0.606
   70    HA   SER  10           HA       SER  10  -1.065 -10.492   0.039
   71    HB2  SER  10           HB2      SER  10  -2.928 -10.867  -2.301
   72    HB3  SER  10           HB1      SER  10  -1.330 -11.611  -2.243
   73    HG   SER  10           HG       SER  10  -3.625 -12.219  -0.826
   74    H    GLU  11           HN       GLU  11  -2.208  -7.804  -1.813
   75    HA   GLU  11           HA       GLU  11   0.314  -7.618  -3.294
   76    HB2  GLU  11           HB2      GLU  11  -2.421  -6.712  -3.646
   77    HB3  GLU  11           HB1      GLU  11  -1.266  -5.428  -3.944
   78    HG2  GLU  11           HG2      GLU  11  -0.516  -7.926  -5.224
   79    HG3  GLU  11           HG1      GLU  11  -2.111  -7.358  -5.728
   80    H    CYS  12           HN       CYS  12  -1.635  -5.909  -0.943
   81    HA   CYS  12           HA       CYS  12   0.406  -3.842  -0.699
   82    HB2  CYS  12           HB2      CYS  12  -2.469  -4.081  -0.031
   83    HB3  CYS  12           HB1      CYS  12  -1.501  -3.007   0.989
   84    H    THR  13           HN       THR  13   2.018  -4.424   0.549
   85    HA   THR  13           HA       THR  13   1.409  -5.693   3.137
   86    HB   THR  13           HB       THR  13   3.847  -6.524   2.936
   87    HG1  THR  13           HG1      THR  13   4.852  -5.926   1.223
   88   HG21  THR  13          HG21      THR  13   1.734  -7.908   2.502
   89   HG22  THR  13          HG22      THR  13   3.256  -8.488   1.825
   90   HG23  THR  13          HG23      THR  13   2.087  -7.664   0.788
   91    H    GLN  14           HN       GLN  14   2.416  -4.877   4.972
   92    HA   GLN  14           HA       GLN  14   2.934  -2.181   5.161
   93    HB2  GLN  14           HB2      GLN  14   4.317  -4.244   6.877
   94    HB3  GLN  14           HB1      GLN  14   3.872  -2.602   7.321
   95    HG2  GLN  14           HG2      GLN  14   2.032  -4.935   6.857
   96    HG3  GLN  14           HG1      GLN  14   2.344  -4.090   8.372
   97   HE21  GLN  14          HE21      GLN  14   0.526  -4.140   5.455
   98   HE22  GLN  14          HE22      GLN  14  -0.434  -2.740   5.772
   99    H    PHE  15           HN       PHE  15   4.997  -4.742   4.115
  100    HA   PHE  15           HA       PHE  15   7.505  -3.505   4.276
  101    HB2  PHE  15           HB2      PHE  15   6.298  -5.818   2.948
  102    HB3  PHE  15           HB1      PHE  15   7.626  -5.122   2.039
  103    HD1  PHE  15           HD1      PHE  15   9.866  -4.915   3.133
  104    HD2  PHE  15           HD2      PHE  15   6.661  -7.098   4.884
  105    HE1  PHE  15           HE1      PHE  15  11.466  -6.083   4.588
  106    HE2  PHE  15           HE2      PHE  15   8.256  -8.272   6.346
  107    HZ   PHE  15           HZ       PHE  15  10.662  -7.765   6.200
  108    H    ARG  16           HN       ARG  16   4.979  -3.431   1.831
  109    HA   ARG  16           HA       ARG  16   6.341  -2.148  -0.228
  110    HB2  ARG  16           HB2      ARG  16   3.428  -1.828   0.497
  111    HB3  ARG  16           HB1      ARG  16   4.148  -1.519  -1.070
  112    HG2  ARG  16           HG2      ARG  16   4.093  -4.194   0.273
  113    HG3  ARG  16           HG1      ARG  16   2.933  -3.651  -0.939
  114    HD2  ARG  16           HD2      ARG  16   4.313  -4.447  -2.492
  115    HD3  ARG  16           HD1      ARG  16   5.441  -3.163  -2.060
  116    HE   ARG  16           HE       ARG  16   6.016  -5.064  -0.251
  117   HH11  ARG  16          HH11      ARG  16   5.669  -5.172  -3.723
  118   HH12  ARG  16          HH12      ARG  16   6.788  -6.478  -3.919
  119   HH21  ARG  16          HH21      ARG  16   7.489  -6.782  -0.509
  120   HH22  ARG  16          HH22      ARG  16   7.821  -7.392  -2.095
  121    H    CYS  17           HN       CYS  17   4.523  -0.715   2.477
  122    HA   CYS  17           HA       CYS  17   4.931   1.938   1.601
  123    HB2  CYS  17           HB2      CYS  17   4.100   0.724   4.206
  124    HB3  CYS  17           HB1      CYS  17   4.500   2.436   4.126
  125    H    ARG  18           HN       ARG  18   6.869  -0.282   3.401
  126    HA   ARG  18           HA       ARG  18   8.636   1.517   4.647
  127    HB2  ARG  18           HB2      ARG  18   8.377  -1.263   4.430
  128    HB3  ARG  18           HB1      ARG  18   9.982  -0.884   3.780
  129    HG2  ARG  18           HG2      ARG  18  10.732  -0.056   5.806
  130    HG3  ARG  18           HG1      ARG  18   9.104   0.263   6.409
  131    HD2  ARG  18           HD2      ARG  18   8.951  -2.395   6.106
  132    HD3  ARG  18           HD1      ARG  18  10.680  -2.239   6.412
  133    HE   ARG  18           HE       ARG  18   9.573  -0.763   8.387
  134   HH11  ARG  18          HH11      ARG  18   9.040  -4.024   7.265
  135   HH12  ARG  18          HH12      ARG  18   8.577  -4.618   8.824
  136   HH21  ARG  18          HH21      ARG  18   8.965  -1.544  10.439
  137   HH22  ARG  18          HH22      ARG  18   8.534  -3.211  10.625
  138    H    THR  19           HN       THR  19   8.919  -0.287   1.682
  139    HA   THR  19           HA       THR  19  11.168   1.417   0.896
  140    HB   THR  19           HB       THR  19  11.842  -0.776   1.363
  141    HG1  THR  19           HG1      THR  19  12.633   0.059  -0.664
  142   HG21  THR  19          HG21      THR  19   9.774  -1.920   1.402
  143   HG22  THR  19          HG22      THR  19  10.867  -2.758   0.292
  144   HG23  THR  19          HG23      THR  19   9.574  -1.738  -0.344
  145    H    SER  20           HN       SER  20   8.130   0.045  -0.215
  146    HA   SER  20           HA       SER  20   8.520   1.099  -2.902
  147    HB2  SER  20           HB2      SER  20   6.790  -0.893  -1.660
  148    HB3  SER  20           HB1      SER  20   5.913   0.164  -2.764
  149    HG   SER  20           HG       SER  20   7.496  -0.349  -4.354
  150    H    MET  21           HN       MET  21   8.104   3.159  -3.297
  151    HA   MET  21           HA       MET  21   6.425   4.738  -1.583
  152    HB2  MET  21           HB2      MET  21   8.304   5.216  -3.785
  153    HB3  MET  21           HB1      MET  21   6.944   6.329  -3.749
  154    HG2  MET  21           HG2      MET  21   7.850   7.472  -2.092
  155    HG3  MET  21           HG1      MET  21   8.001   6.017  -1.110
  156    HE1  MET  21           HE1      MET  21  10.063   8.301  -0.687
  157    HE2  MET  21           HE2      MET  21  11.583   7.406  -0.700
  158    HE3  MET  21           HE3      MET  21  10.167   6.728   0.104
  159    H    LYS  22           HN       LYS  22   6.227   3.528  -4.896
  160    HA   LYS  22           HA       LYS  22   3.835   4.817  -5.607
  161    HB2  LYS  22           HB2      LYS  22   5.419   3.781  -7.204
  162    HB3  LYS  22           HB1      LYS  22   4.921   2.193  -6.639
  163    HG2  LYS  22           HG2      LYS  22   2.544   3.439  -7.316
  164    HG3  LYS  22           HG1      LYS  22   3.675   3.953  -8.568
  165    HD2  LYS  22           HD2      LYS  22   4.153   1.722  -9.187
  166    HD3  LYS  22           HD1      LYS  22   3.380   1.077  -7.738
  167    HE2  LYS  22           HE2      LYS  22   1.228   2.112  -8.624
  168    HE3  LYS  22           HE1      LYS  22   2.087   2.322 -10.149
  169    HZ1  LYS  22           HZ1      LYS  22   2.168   0.080 -10.519
  170    HZ2  LYS  22           HZ2      LYS  22   0.690   0.189  -9.705
  171    HZ3  LYS  22           HZ3      LYS  22   2.073  -0.325  -8.879
  172    H    TYR  23           HN       TYR  23   4.389   2.107  -3.559
  173    HA   TYR  23           HA       TYR  23   1.764   0.966  -3.912
  174    HB2  TYR  23           HB2      TYR  23   4.063   0.382  -2.071
  175    HB3  TYR  23           HB1      TYR  23   2.502  -0.405  -1.870
  176    HD1  TYR  23           HD1      TYR  23   4.725   0.395  -4.765
  177    HD2  TYR  23           HD2      TYR  23   2.466  -2.545  -2.687
  178    HE1  TYR  23           HE1      TYR  23   5.364  -1.280  -6.453
  179    HE2  TYR  23           HE2      TYR  23   3.096  -4.228  -4.361
  180    HH   TYR  23           HH       TYR  23   3.839  -4.272  -6.739
  181    H    ARG  24           HN       ARG  24   3.329   3.091  -1.593
  182    HA   ARG  24           HA       ARG  24   1.380   2.914   0.436
  183    HB2  ARG  24           HB2      ARG  24   3.042   5.359  -0.114
  184    HB3  ARG  24           HB1      ARG  24   2.404   4.809   1.425
  185    HG2  ARG  24           HG2      ARG  24   4.105   3.421   1.783
  186    HG3  ARG  24           HG1      ARG  24   4.228   2.942   0.090
  187    HD2  ARG  24           HD2      ARG  24   5.227   5.222  -0.333
  188    HD3  ARG  24           HD1      ARG  24   5.311   5.414   1.416
  189    HE   ARG  24           HE       ARG  24   6.554   3.001   0.426
  190   HH11  ARG  24          HH11      ARG  24   7.006   6.385   1.188
  191   HH12  ARG  24          HH12      ARG  24   8.717   6.235   1.408
  192   HH21  ARG  24          HH21      ARG  24   8.804   2.810   0.723
  193   HH22  ARG  24          HH22      ARG  24   9.738   4.206   1.142
  194    H    LEU  25           HN       LEU  25   1.917   5.600  -1.825
  195    HA   LEU  25           HA       LEU  25  -0.736   6.623  -1.217
  196    HB2  LEU  25           HB2      LEU  25   1.287   7.848  -3.061
  197    HB3  LEU  25           HB1      LEU  25  -0.012   8.645  -2.187
  198    HG   LEU  25           HG       LEU  25   1.751   9.294  -0.888
  199   HD11  LEU  25          HD11      LEU  25   1.747   6.699   0.526
  200   HD12  LEU  25          HD12      LEU  25   0.180   7.481   0.316
  201   HD13  LEU  25          HD13      LEU  25   1.485   8.332   1.139
  202   HD21  LEU  25          HD21      LEU  25   3.753   8.581  -1.526
  203   HD22  LEU  25          HD22      LEU  25   3.084   7.092  -2.189
  204   HD23  LEU  25          HD23      LEU  25   3.515   7.181  -0.481
  205    H    ASN  26           HN       ASN  26   1.056   5.524  -4.072
  206    HA   ASN  26           HA       ASN  26  -1.011   6.183  -5.891
  207    HB2  ASN  26           HB2      ASN  26   1.622   5.489  -6.090
  208    HB3  ASN  26           HB1      ASN  26   0.812   4.064  -6.744
  209   HD21  ASN  26          HD21      ASN  26  -0.311   4.212  -8.653
  210   HD22  ASN  26          HD22      ASN  26  -0.222   5.590  -9.690
  211    H    LEU  27           HN       LEU  27  -0.216   3.152  -4.208
  212    HA   LEU  27           HA       LEU  27  -2.424   1.841  -5.600
  213    HB2  LEU  27           HB2      LEU  27  -0.126   0.899  -3.972
  214    HB3  LEU  27           HB1      LEU  27  -1.580  -0.078  -3.939
  215    HG   LEU  27           HG       LEU  27  -1.492  -0.149  -6.449
  216   HD11  LEU  27          HD11      LEU  27   0.664   0.345  -7.501
  217   HD12  LEU  27          HD12      LEU  27   1.248   1.011  -5.977
  218   HD13  LEU  27          HD13      LEU  27  -0.087   1.790  -6.826
  219   HD21  LEU  27          HD21      LEU  27  -0.668  -1.941  -4.882
  220   HD22  LEU  27          HD22      LEU  27   0.955  -1.299  -5.132
  221   HD23  LEU  27          HD23      LEU  27   0.045  -1.948  -6.495
  222    H    CYS  28           HN       CYS  28  -1.987   0.618  -2.424
  223    HA   CYS  28           HA       CYS  28  -4.607   1.667  -1.679
  224    HB2  CYS  28           HB2      CYS  28  -4.456   0.030   0.133
  225    HB3  CYS  28           HB1      CYS  28  -4.114  -0.733  -1.423
  226    H    LYS  29           HN       LYS  29  -4.967   2.807   0.212
  227    HA   LYS  29           HA       LYS  29  -2.763   4.440   1.093
  228    HB2  LYS  29           HB2      LYS  29  -5.682   4.454   1.870
  229    HB3  LYS  29           HB1      LYS  29  -4.492   5.637   2.402
  230    HG2  LYS  29           HG2      LYS  29  -4.391   5.431  -0.445
  231    HG3  LYS  29           HG1      LYS  29  -6.065   5.673   0.064
  232    HD2  LYS  29           HD2      LYS  29  -5.626   7.733   0.996
  233    HD3  LYS  29           HD1      LYS  29  -3.925   7.360   1.278
  234    HE2  LYS  29           HE2      LYS  29  -3.430   8.476  -0.579
  235    HE3  LYS  29           HE1      LYS  29  -4.285   7.240  -1.500
  236    HZ1  LYS  29           HZ1      LYS  29  -6.347   8.543  -1.119
  237    HZ2  LYS  29           HZ2      LYS  29  -5.195   9.350  -2.058
  238    HZ3  LYS  29           HZ3      LYS  29  -5.406   9.772  -0.434
  239    H    LYS  30           HN       LYS  30  -5.205   2.457   2.736
  240    HA   LYS  30           HA       LYS  30  -3.667   2.429   5.160
  241    HB2  LYS  30           HB2      LYS  30  -6.036   2.586   5.359
  242    HB3  LYS  30           HB1      LYS  30  -6.270   1.138   4.390
  243    HG2  LYS  30           HG2      LYS  30  -6.608   0.383   6.549
  244    HG3  LYS  30           HG1      LYS  30  -4.926  -0.049   6.233
  245    HD2  LYS  30           HD2      LYS  30  -4.136   1.378   7.774
  246    HD3  LYS  30           HD1      LYS  30  -5.312   2.627   7.364
  247    HE2  LYS  30           HE2      LYS  30  -5.622   1.802   9.652
  248    HE3  LYS  30           HE1      LYS  30  -7.025   1.471   8.638
  249    HZ1  LYS  30           HZ1      LYS  30  -5.208  -0.366   9.928
  250    HZ2  LYS  30           HZ2      LYS  30  -5.573  -0.765   8.325
  251    HZ3  LYS  30           HZ3      LYS  30  -6.818  -0.587   9.456
  252    H    THR  31           HN       THR  31  -4.856  -0.198   3.019
  253    HA   THR  31           HA       THR  31  -3.804  -2.314   4.369
  254    HB   THR  31           HB       THR  31  -3.895  -2.049   1.368
  255    HG1  THR  31           HG1      THR  31  -5.810  -2.938   3.260
  256   HG21  THR  31          HG21      THR  31  -4.145  -4.561   2.972
  257   HG22  THR  31          HG22      THR  31  -2.599  -4.001   2.337
  258   HG23  THR  31          HG23      THR  31  -3.925  -4.380   1.233
  259    H    CYS  32           HN       CYS  32  -2.015  -0.071   2.395
  260    HA   CYS  32           HA       CYS  32   0.336  -1.730   2.264
  261    HB2  CYS  32           HB2      CYS  32   0.151  -0.115   0.532
  262    HB3  CYS  32           HB1      CYS  32  -0.108   1.198   1.674
  263    H    GLY  33           HN       GLY  33  -1.070   0.180   4.651
  264    HA2  GLY  33           HA2      GLY  33  -0.384   0.298   6.884
  265    HA3  GLY  33           HA1      GLY  33   1.206  -0.267   6.400
  266    H    THR  34           HN       THR  34  -0.753   2.556   5.422
  267    HA   THR  34           HA       THR  34   1.323   4.299   6.536
  268    HB   THR  34           HB       THR  34   2.018   4.217   4.275
  269    HG1  THR  34           HG1      THR  34   2.089   6.303   4.712
  270   HG21  THR  34          HG21      THR  34  -0.110   3.236   3.376
  271   HG22  THR  34          HG22      THR  34   0.685   4.438   2.360
  272   HG23  THR  34          HG23      THR  34  -0.733   4.884   3.309
  273    H    CYS  35           HN       CYS  35  -1.947   3.923   5.302
  274    HA   CYS  35           HA       CYS  35  -2.931   6.488   5.735
  275    HB2  CYS  35           HB2      CYS  35  -4.072   4.412   4.687
  276    HB3  CYS  35           HB1      CYS  35  -4.583   4.052   6.329
  Start of MODEL   19
    1    H1   ALA   2           HT1      ALA   2 -11.692   8.583   0.116
    2    H2   ALA   2           HT2      ALA   2 -11.534   7.603   1.515
    3    H3   ALA   2           HT3      ALA   2 -11.253   6.934  -0.040
    4    HA   ALA   2           HA       ALA   2  -9.386   8.369  -0.344
    5    HB1  ALA   2           HB1      ALA   2 -10.411   9.493   2.188
    6    HB2  ALA   2           HB2      ALA   2  -9.590  10.283   0.841
    7    HB3  ALA   2           HB3      ALA   2  -8.658   9.374   2.031
    8    H    CYS   3           HN       CYS   3  -9.825   7.259   3.018
    9    HA   CYS   3           HA       CYS   3  -7.391   5.767   2.960
   10    HB2  CYS   3           HB2      CYS   3  -8.569   6.854   4.991
   11    HB3  CYS   3           HB1      CYS   3  -9.555   5.396   5.015
   12    H    LYS   4           HN       LYS   4  -8.002   4.523   0.995
   13    HA   LYS   4           HA       LYS   4  -9.350   2.033   1.785
   14    HB2  LYS   4           HB2      LYS   4  -9.730   3.604  -0.761
   15    HB3  LYS   4           HB1      LYS   4 -10.145   1.900  -0.639
   16    HG2  LYS   4           HG2      LYS   4 -11.251   3.828   1.350
   17    HG3  LYS   4           HG1      LYS   4 -11.959   3.725  -0.263
   18    HD2  LYS   4           HD2      LYS   4 -12.765   1.613   0.075
   19    HD3  LYS   4           HD1      LYS   4 -11.482   1.189   1.210
   20    HE2  LYS   4           HE2      LYS   4 -13.147   1.400   2.723
   21    HE3  LYS   4           HE1      LYS   4 -12.714   3.107   2.624
   22    HZ1  LYS   4           HZ1      LYS   4 -14.466   3.398   0.965
   23    HZ2  LYS   4           HZ2      LYS   4 -15.090   2.822   2.428
   24    HZ3  LYS   4           HZ3      LYS   4 -14.897   1.769   1.118
   25    H    ASP   5           HN       ASP   5  -8.902   0.372  -0.168
   26    HA   ASP   5           HA       ASP   5  -6.025   0.519  -0.701
   27    HB2  ASP   5           HB2      ASP   5  -5.908  -1.912  -0.409
   28    HB3  ASP   5           HB1      ASP   5  -6.509  -1.123   1.045
   29    H    TYR   6           HN       TYR   6  -5.439   0.404  -2.724
   30    HA   TYR   6           HA       TYR   6  -7.364  -0.016  -4.809
   31    HB2  TYR   6           HB2      TYR   6  -5.050   1.423  -4.628
   32    HB3  TYR   6           HB1      TYR   6  -4.515   0.032  -5.563
   33    HD1  TYR   6           HD2      TYR   6  -5.781  -0.538  -7.693
   34    HD2  TYR   6           HD1      TYR   6  -6.272   3.156  -5.640
   35    HE1  TYR   6           HE2      TYR   6  -6.732   0.462  -9.729
   36    HE2  TYR   6           HE1      TYR   6  -7.225   4.165  -7.670
   37    HH   TYR   6           HH       TYR   6  -8.373   2.470 -10.201
   38    H    LEU   7           HN       LEU   7  -5.612  -2.154  -2.946
   39    HA   LEU   7           HA       LEU   7  -6.033  -4.279  -4.894
   40    HB2  LEU   7           HB2      LEU   7  -3.376  -3.423  -3.852
   41    HB3  LEU   7           HB1      LEU   7  -3.649  -5.116  -4.103
   42    HG   LEU   7           HG       LEU   7  -4.326  -3.279  -6.329
   43   HD11  LEU   7          HD11      LEU   7  -1.585  -3.830  -5.310
   44   HD12  LEU   7          HD12      LEU   7  -2.253  -2.350  -6.001
   45   HD13  LEU   7          HD13      LEU   7  -1.854  -3.713  -7.048
   46   HD21  LEU   7          HD21      LEU   7  -3.713  -6.116  -5.924
   47   HD22  LEU   7          HD22      LEU   7  -3.002  -5.400  -7.367
   48   HD23  LEU   7          HD23      LEU   7  -4.746  -5.335  -7.118
   49    HA   PRO   8           HA       PRO   8  -6.866  -6.649  -1.270
   50    HB2  PRO   8           HB2      PRO   8  -6.082  -9.125  -1.802
   51    HB3  PRO   8           HB1      PRO   8  -7.326  -8.338  -2.784
   52    HG2  PRO   8           HG2      PRO   8  -4.436  -8.751  -3.349
   53    HG3  PRO   8           HG1      PRO   8  -5.825  -8.900  -4.437
   54    HD2  PRO   8           HD2      PRO   8  -4.156  -6.698  -4.257
   55    HD3  PRO   8           HD1      PRO   8  -5.766  -6.653  -4.961
   56    H    LYS   9           HN       LYS   9  -6.057  -8.002   0.443
   57    HA   LYS   9           HA       LYS   9  -3.896  -6.900   1.760
   58    HB2  LYS   9           HB2      LYS   9  -4.986  -9.682   2.198
   59    HB3  LYS   9           HB1      LYS   9  -4.099  -8.707   3.362
   60    HG2  LYS   9           HG2      LYS   9  -6.690  -7.752   2.199
   61    HG3  LYS   9           HG1      LYS   9  -6.648  -8.854   3.576
   62    HD2  LYS   9           HD2      LYS   9  -6.403  -7.082   4.899
   63    HD3  LYS   9           HD1      LYS   9  -4.810  -6.833   4.182
   64    HE2  LYS   9           HE2      LYS   9  -6.148  -4.801   4.056
   65    HE3  LYS   9           HE1      LYS   9  -5.811  -5.433   2.445
   66    HZ1  LYS   9           HZ1      LYS   9  -7.991  -6.191   2.211
   67    HZ2  LYS   9           HZ2      LYS   9  -8.166  -4.669   2.928
   68    HZ3  LYS   9           HZ3      LYS   9  -8.325  -6.068   3.865
   69    H    SER  10           HN       SER  10  -3.854  -9.333  -0.683
   70    HA   SER  10           HA       SER  10  -1.289 -10.405   0.082
   71    HB2  SER  10           HB2      SER  10  -3.335 -11.462  -1.311
   72    HB3  SER  10           HB1      SER  10  -2.329 -10.902  -2.647
   73    HG   SER  10           HG       SER  10  -1.519 -12.611  -0.530
   74    H    GLU  11           HN       GLU  11  -2.358  -7.719  -1.790
   75    HA   GLU  11           HA       GLU  11   0.161  -7.609  -3.284
   76    HB2  GLU  11           HB2      GLU  11  -2.547  -6.661  -3.648
   77    HB3  GLU  11           HB1      GLU  11  -1.390  -5.369  -3.899
   78    HG2  GLU  11           HG2      GLU  11  -0.632  -7.841  -5.231
   79    HG3  GLU  11           HG1      GLU  11  -2.211  -7.241  -5.745
   80    H    CYS  12           HN       CYS  12  -1.728  -5.835  -0.931
   81    HA   CYS  12           HA       CYS  12   0.362  -3.817  -0.709
   82    HB2  CYS  12           HB2      CYS  12  -2.499  -4.011   0.035
   83    HB3  CYS  12           HB1      CYS  12  -1.486  -2.954   1.027
   84    H    THR  13           HN       THR  13   1.985  -4.354   0.535
   85    HA   THR  13           HA       THR  13   1.409  -5.674   3.107
   86    HB   THR  13           HB       THR  13   3.853  -6.495   2.856
   87    HG1  THR  13           HG1      THR  13   3.292  -5.951   0.136
   88   HG21  THR  13          HG21      THR  13   2.022  -7.631   0.763
   89   HG22  THR  13          HG22      THR  13   1.740  -7.887   2.489
   90   HG23  THR  13          HG23      THR  13   3.235  -8.457   1.747
   91    H    GLN  14           HN       GLN  14   2.430  -4.881   4.939
   92    HA   GLN  14           HA       GLN  14   2.959  -2.189   5.155
   93    HB2  GLN  14           HB2      GLN  14   4.331  -4.287   6.839
   94    HB3  GLN  14           HB1      GLN  14   3.914  -2.643   7.305
   95    HG2  GLN  14           HG2      GLN  14   2.042  -4.948   6.833
   96    HG3  GLN  14           HG1      GLN  14   2.366  -4.110   8.349
   97   HE21  GLN  14          HE21      GLN  14   0.531  -4.143   5.447
   98   HE22  GLN  14          HE22      GLN  14  -0.408  -2.729   5.766
   99    H    PHE  15           HN       PHE  15   5.010  -4.744   4.068
  100    HA   PHE  15           HA       PHE  15   7.521  -3.512   4.234
  101    HB2  PHE  15           HB2      PHE  15   6.307  -5.806   2.880
  102    HB3  PHE  15           HB1      PHE  15   7.632  -5.098   1.975
  103    HD1  PHE  15           HD1      PHE  15   9.872  -4.876   3.095
  104    HD2  PHE  15           HD2      PHE  15   6.682  -7.144   4.765
  105    HE1  PHE  15           HE1      PHE  15  11.476  -6.065   4.529
  106    HE2  PHE  15           HE2      PHE  15   8.282  -8.339   6.205
  107    HZ   PHE  15           HZ       PHE  15  10.683  -7.800   6.088
  108    H    ARG  16           HN       ARG  16   4.977  -3.399   1.811
  109    HA   ARG  16           HA       ARG  16   6.314  -2.097  -0.249
  110    HB2  ARG  16           HB2      ARG  16   3.416  -1.808   0.551
  111    HB3  ARG  16           HB1      ARG  16   4.092  -1.403  -1.014
  112    HG2  ARG  16           HG2      ARG  16   4.114  -4.147   0.181
  113    HG3  ARG  16           HG1      ARG  16   2.910  -3.560  -0.968
  114    HD2  ARG  16           HD2      ARG  16   4.331  -4.511  -2.458
  115    HD3  ARG  16           HD1      ARG  16   5.133  -2.947  -2.321
  116    HE   ARG  16           HE       ARG  16   6.099  -4.804  -0.389
  117   HH11  ARG  16          HH11      ARG  16   6.340  -3.896  -3.750
  118   HH12  ARG  16          HH12      ARG  16   7.941  -4.531  -3.935
  119   HH21  ARG  16          HH21      ARG  16   8.204  -5.638  -0.630
  120   HH22  ARG  16          HH22      ARG  16   8.999  -5.520  -2.165
  121    H    CYS  17           HN       CYS  17   4.502  -0.659   2.466
  122    HA   CYS  17           HA       CYS  17   4.939   1.991   1.621
  123    HB2  CYS  17           HB2      CYS  17   4.142   0.768   4.234
  124    HB3  CYS  17           HB1      CYS  17   4.533   2.481   4.144
  125    H    ARG  18           HN       ARG  18   6.878  -0.252   3.397
  126    HA   ARG  18           HA       ARG  18   8.666   1.534   4.629
  127    HB2  ARG  18           HB2      ARG  18   8.390  -1.242   4.421
  128    HB3  ARG  18           HB1      ARG  18   9.987  -0.878   3.743
  129    HG2  ARG  18           HG2      ARG  18   9.952   0.630   6.035
  130    HG3  ARG  18           HG1      ARG  18   9.039  -0.800   6.517
  131    HD2  ARG  18           HD2      ARG  18  11.338  -1.586   4.994
  132    HD3  ARG  18           HD1      ARG  18  11.832  -0.514   6.302
  133    HE   ARG  18           HE       ARG  18  10.190  -2.260   7.542
  134   HH11  ARG  18          HH11      ARG  18  12.944  -2.678   5.439
  135   HH12  ARG  18          HH12      ARG  18  13.425  -4.178   6.160
  136   HH21  ARG  18          HH21      ARG  18  10.822  -4.232   8.492
  137   HH22  ARG  18          HH22      ARG  18  12.220  -5.060   7.892
  138    H    THR  19           HN       THR  19   8.923  -0.266   1.657
  139    HA   THR  19           HA       THR  19  11.172   1.434   0.863
  140    HB   THR  19           HB       THR  19  11.838  -0.764   1.323
  141    HG1  THR  19           HG1      THR  19  12.785  -1.238  -0.565
  142   HG21  THR  19          HG21      THR  19  10.854  -2.736   0.241
  143   HG22  THR  19          HG22      THR  19   9.565  -1.706  -0.389
  144   HG23  THR  19          HG23      THR  19   9.767  -1.900   1.357
  145    H    SER  20           HN       SER  20   8.128   0.065  -0.240
  146    HA   SER  20           HA       SER  20   8.508   1.133  -2.923
  147    HB2  SER  20           HB2      SER  20   7.269  -1.111  -2.100
  148    HB3  SER  20           HB1      SER  20   5.888  -0.015  -2.142
  149    HG   SER  20           HG       SER  20   7.199  -1.179  -4.187
  150    H    MET  21           HN       MET  21   8.066   3.185  -3.324
  151    HA   MET  21           HA       MET  21   6.397   4.749  -1.587
  152    HB2  MET  21           HB2      MET  21   8.262   5.247  -3.796
  153    HB3  MET  21           HB1      MET  21   6.899   6.357  -3.744
  154    HG2  MET  21           HG2      MET  21   7.788   7.478  -2.058
  155    HG3  MET  21           HG1      MET  21   7.999   6.004  -1.116
  156    HE1  MET  21           HE1      MET  21  11.061   7.623  -4.150
  157    HE2  MET  21           HE2      MET  21   9.865   8.688  -3.410
  158    HE3  MET  21           HE3      MET  21   9.343   7.367  -4.456
  159    H    LYS  22           HN       LYS  22   6.169   3.562  -4.911
  160    HA   LYS  22           HA       LYS  22   3.779   4.865  -5.595
  161    HB2  LYS  22           HB2      LYS  22   5.379   3.770  -7.178
  162    HB3  LYS  22           HB1      LYS  22   4.758   2.212  -6.652
  163    HG2  LYS  22           HG2      LYS  22   3.460   2.485  -8.478
  164    HG3  LYS  22           HG1      LYS  22   2.451   3.356  -7.323
  165    HD2  LYS  22           HD2      LYS  22   2.750   5.297  -8.386
  166    HD3  LYS  22           HD1      LYS  22   4.495   5.057  -8.488
  167    HE2  LYS  22           HE2      LYS  22   3.671   3.273 -10.325
  168    HE3  LYS  22           HE1      LYS  22   2.371   4.458 -10.452
  169    HZ1  LYS  22           HZ1      LYS  22   5.220   5.249 -10.547
  170    HZ2  LYS  22           HZ2      LYS  22   3.869   6.131 -11.053
  171    HZ3  LYS  22           HZ3      LYS  22   4.377   4.783 -11.938
  172    H    TYR  23           HN       TYR  23   4.320   2.143  -3.557
  173    HA   TYR  23           HA       TYR  23   1.681   1.034  -3.898
  174    HB2  TYR  23           HB2      TYR  23   3.984   0.419  -2.074
  175    HB3  TYR  23           HB1      TYR  23   2.414  -0.346  -1.857
  176    HD1  TYR  23           HD1      TYR  23   4.538   0.440  -4.829
  177    HD2  TYR  23           HD2      TYR  23   2.423  -2.510  -2.616
  178    HE1  TYR  23           HE1      TYR  23   5.137  -1.247  -6.519
  179    HE2  TYR  23           HE2      TYR  23   3.015  -4.206  -4.291
  180    HH   TYR  23           HH       TYR  23   5.344  -3.628  -6.751
  181    H    ARG  24           HN       ARG  24   3.300   3.104  -1.564
  182    HA   ARG  24           HA       ARG  24   1.368   2.970   0.474
  183    HB2  ARG  24           HB2      ARG  24   3.044   5.397  -0.117
  184    HB3  ARG  24           HB1      ARG  24   2.416   4.872   1.434
  185    HG2  ARG  24           HG2      ARG  24   4.100   3.459   1.788
  186    HG3  ARG  24           HG1      ARG  24   4.221   2.984   0.093
  187    HD2  ARG  24           HD2      ARG  24   5.225   5.267  -0.320
  188    HD3  ARG  24           HD1      ARG  24   5.318   5.445   1.430
  189    HE   ARG  24           HE       ARG  24   6.545   3.035   0.418
  190   HH11  ARG  24          HH11      ARG  24   7.018   6.411   1.197
  191   HH12  ARG  24          HH12      ARG  24   8.729   6.251   1.409
  192   HH21  ARG  24          HH21      ARG  24   8.793   2.828   0.708
  193   HH22  ARG  24          HH22      ARG  24   9.738   4.217   1.130
  194    H    LEU  25           HN       LEU  25   1.903   5.637  -1.811
  195    HA   LEU  25           HA       LEU  25  -0.733   6.690  -1.185
  196    HB2  LEU  25           HB2      LEU  25   1.285   7.885  -3.053
  197    HB3  LEU  25           HB1      LEU  25   0.001   8.699  -2.173
  198    HG   LEU  25           HG       LEU  25   1.781   9.340  -0.892
  199   HD11  LEU  25          HD11      LEU  25   1.527   8.389   1.143
  200   HD12  LEU  25          HD12      LEU  25   1.758   6.750   0.535
  201   HD13  LEU  25          HD13      LEU  25   0.200   7.554   0.336
  202   HD21  LEU  25          HD21      LEU  25   3.529   7.214  -0.484
  203   HD22  LEU  25          HD22      LEU  25   3.770   8.602  -1.545
  204   HD23  LEU  25          HD23      LEU  25   3.082   7.112  -2.188
  205    H    ASN  26           HN       ASN  26   1.024   5.581  -4.064
  206    HA   ASN  26           HA       ASN  26  -1.071   6.242  -5.851
  207    HB2  ASN  26           HB2      ASN  26   1.557   5.558  -6.099
  208    HB3  ASN  26           HB1      ASN  26   0.746   4.122  -6.729
  209   HD21  ASN  26          HD21      ASN  26   1.792   7.236  -7.402
  210   HD22  ASN  26          HD22      ASN  26   0.998   7.452  -8.921
  211    H    LEU  27           HN       LEU  27  -0.248   3.213  -4.180
  212    HA   LEU  27           HA       LEU  27  -2.473   1.898  -5.537
  213    HB2  LEU  27           HB2      LEU  27  -0.183   0.954  -3.886
  214    HB3  LEU  27           HB1      LEU  27  -1.635  -0.027  -3.911
  215    HG   LEU  27           HG       LEU  27  -1.476  -0.054  -6.418
  216   HD11  LEU  27          HD11      LEU  27  -0.038   1.930  -6.632
  217   HD12  LEU  27          HD12      LEU  27   0.628   0.516  -7.450
  218   HD13  LEU  27          HD13      LEU  27   1.286   1.027  -5.895
  219   HD21  LEU  27          HD21      LEU  27   0.076  -1.843  -6.456
  220   HD22  LEU  27          HD22      LEU  27  -0.688  -1.873  -4.867
  221   HD23  LEU  27          HD23      LEU  27   0.938  -1.217  -5.051
  222    H    CYS  28           HN       CYS  28  -1.992   0.702  -2.354
  223    HA   CYS  28           HA       CYS  28  -4.603   1.765  -1.585
  224    HB2  CYS  28           HB2      CYS  28  -4.459   0.106   0.208
  225    HB3  CYS  28           HB1      CYS  28  -4.131  -0.645  -1.357
  226    H    LYS  29           HN       LYS  29  -4.930   2.897   0.320
  227    HA   LYS  29           HA       LYS  29  -2.688   4.479   1.207
  228    HB2  LYS  29           HB2      LYS  29  -5.619   4.539   1.920
  229    HB3  LYS  29           HB1      LYS  29  -4.424   5.638   2.601
  230    HG2  LYS  29           HG2      LYS  29  -4.374   5.519  -0.317
  231    HG3  LYS  29           HG1      LYS  29  -5.907   6.091   0.349
  232    HD2  LYS  29           HD2      LYS  29  -4.345   7.574   1.848
  233    HD3  LYS  29           HD1      LYS  29  -3.179   7.286   0.554
  234    HE2  LYS  29           HE2      LYS  29  -5.308   7.959  -0.921
  235    HE3  LYS  29           HE1      LYS  29  -5.685   8.861   0.546
  236    HZ1  LYS  29           HZ1      LYS  29  -3.911  10.230   0.273
  237    HZ2  LYS  29           HZ2      LYS  29  -4.201   9.874  -1.355
  238    HZ3  LYS  29           HZ3      LYS  29  -2.970   9.069  -0.520
  239    H    LYS  30           HN       LYS  30  -5.164   2.527   2.832
  240    HA   LYS  30           HA       LYS  30  -3.624   2.446   5.251
  241    HB2  LYS  30           HB2      LYS  30  -5.995   2.645   5.440
  242    HB3  LYS  30           HB1      LYS  30  -6.246   1.193   4.479
  243    HG2  LYS  30           HG2      LYS  30  -6.597   0.513   6.683
  244    HG3  LYS  30           HG1      LYS  30  -4.962  -0.033   6.297
  245    HD2  LYS  30           HD2      LYS  30  -4.477   0.949   8.270
  246    HD3  LYS  30           HD1      LYS  30  -4.405   2.401   7.269
  247    HE2  LYS  30           HE2      LYS  30  -6.662   2.985   7.866
  248    HE3  LYS  30           HE1      LYS  30  -6.870   1.463   8.732
  249    HZ1  LYS  30           HZ1      LYS  30  -4.637   3.087   9.607
  250    HZ2  LYS  30           HZ2      LYS  30  -5.779   2.235  10.518
  251    HZ3  LYS  30           HZ3      LYS  30  -6.163   3.759   9.894
  252    H    THR  31           HN       THR  31  -4.842  -0.141   3.072
  253    HA   THR  31           HA       THR  31  -3.812  -2.282   4.411
  254    HB   THR  31           HB       THR  31  -3.896  -1.994   1.411
  255    HG1  THR  31           HG1      THR  31  -5.947  -3.018   1.711
  256   HG21  THR  31          HG21      THR  31  -3.973  -4.335   1.275
  257   HG22  THR  31          HG22      THR  31  -4.142  -4.505   3.021
  258   HG23  THR  31          HG23      THR  31  -2.614  -3.957   2.336
  259    H    CYS  32           HN       CYS  32  -2.014  -0.023   2.471
  260    HA   CYS  32           HA       CYS  32   0.339  -1.684   2.331
  261    HB2  CYS  32           HB2      CYS  32   0.138  -0.062   0.599
  262    HB3  CYS  32           HB1      CYS  32  -0.103   1.248   1.749
  263    H    GLY  33           HN       GLY  33  -1.081   0.226   4.708
  264    HA2  GLY  33           HA2      GLY  33  -0.404   0.312   6.949
  265    HA3  GLY  33           HA1      GLY  33   1.201  -0.203   6.460
  266    H    THR  34           HN       THR  34  -0.686   2.575   5.267
  267    HA   THR  34           HA       THR  34   1.302   4.337   6.530
  268    HB   THR  34           HB       THR  34   2.003   4.255   4.257
  269    HG1  THR  34           HG1      THR  34   2.100   6.338   4.036
  270   HG21  THR  34          HG21      THR  34   0.639   4.714   2.356
  271   HG22  THR  34          HG22      THR  34  -0.771   4.979   3.381
  272   HG23  THR  34          HG23      THR  34  -0.063   3.368   3.253
  273    H    CYS  35           HN       CYS  35  -1.969   3.936   5.302
  274    HA   CYS  35           HA       CYS  35  -2.861   6.554   5.938
  275    HB2  CYS  35           HB2      CYS  35  -4.026   4.900   4.411
  276    HB3  CYS  35           HB1      CYS  35  -4.597   4.086   5.864
  Start of MODEL   20
    1    H1   ALA   2           HT1      ALA   2 -12.389   9.730   0.188
    2    H2   ALA   2           HT2      ALA   2 -12.465   8.130  -0.428
    3    H3   ALA   2           HT3      ALA   2 -10.969   8.969  -0.395
    4    HA   ALA   2           HA       ALA   2 -11.318   9.113   2.075
    5    HB1  ALA   2           HB1      ALA   2 -12.919   7.877   3.079
    6    HB2  ALA   2           HB2      ALA   2 -12.856   6.604   1.860
    7    HB3  ALA   2           HB3      ALA   2 -13.740   8.094   1.533
    8    H    CYS   3           HN       CYS   3 -10.169   7.509   3.365
    9    HA   CYS   3           HA       CYS   3  -8.034   6.340   1.941
   10    HB2  CYS   3           HB2      CYS   3  -7.769   7.114   4.239
   11    HB3  CYS   3           HB1      CYS   3  -8.927   5.913   4.801
   12    H    LYS   4           HN       LYS   4  -7.885   4.448   0.944
   13    HA   LYS   4           HA       LYS   4  -9.307   2.122   1.913
   14    HB2  LYS   4           HB2      LYS   4 -10.149   3.621  -0.490
   15    HB3  LYS   4           HB1      LYS   4 -10.005   1.882  -0.703
   16    HG2  LYS   4           HG2      LYS   4 -11.414   1.801   1.502
   17    HG3  LYS   4           HG1      LYS   4 -11.871   3.436   1.019
   18    HD2  LYS   4           HD2      LYS   4 -12.679   2.617  -1.111
   19    HD3  LYS   4           HD1      LYS   4 -12.128   0.986  -0.724
   20    HE2  LYS   4           HE2      LYS   4 -13.792   0.660   0.855
   21    HE3  LYS   4           HE1      LYS   4 -14.047   2.389   1.089
   22    HZ1  LYS   4           HZ1      LYS   4 -15.681   0.875  -0.331
   23    HZ2  LYS   4           HZ2      LYS   4 -14.620   1.336  -1.565
   24    HZ3  LYS   4           HZ3      LYS   4 -15.436   2.515  -0.668
   25    H    ASP   5           HN       ASP   5  -8.947   0.361  -0.086
   26    HA   ASP   5           HA       ASP   5  -6.066   0.480  -0.609
   27    HB2  ASP   5           HB2      ASP   5  -5.982  -1.945  -0.310
   28    HB3  ASP   5           HB1      ASP   5  -6.615  -1.155   1.129
   29    H    TYR   6           HN       TYR   6  -5.473   0.388  -2.633
   30    HA   TYR   6           HA       TYR   6  -7.375  -0.006  -4.737
   31    HB2  TYR   6           HB2      TYR   6  -5.064   1.405  -4.546
   32    HB3  TYR   6           HB1      TYR   6  -4.495  -0.018  -5.412
   33    HD1  TYR   6           HD1      TYR   6  -5.458  -0.581  -7.626
   34    HD2  TYR   6           HD2      TYR   6  -6.453   3.029  -5.608
   35    HE1  TYR   6           HE1      TYR   6  -6.320   0.351  -9.732
   36    HE2  TYR   6           HE2      TYR   6  -7.319   3.971  -7.708
   37    HH   TYR   6           HH       TYR   6  -8.169   3.221  -9.852
   38    H    LEU   7           HN       LEU   7  -5.610  -2.148  -2.858
   39    HA   LEU   7           HA       LEU   7  -6.122  -4.305  -4.747
   40    HB2  LEU   7           HB2      LEU   7  -3.415  -3.460  -3.831
   41    HB3  LEU   7           HB1      LEU   7  -3.718  -5.152  -4.045
   42    HG   LEU   7           HG       LEU   7  -4.472  -3.352  -6.273
   43   HD11  LEU   7          HD11      LEU   7  -2.369  -2.423  -5.933
   44   HD12  LEU   7          HD12      LEU   7  -2.070  -3.700  -7.113
   45   HD13  LEU   7          HD13      LEU   7  -1.672  -3.958  -5.415
   46   HD21  LEU   7          HD21      LEU   7  -3.855  -6.179  -5.835
   47   HD22  LEU   7          HD22      LEU   7  -3.168  -5.498  -7.307
   48   HD23  LEU   7          HD23      LEU   7  -4.907  -5.416  -7.024
   49    HA   PRO   8           HA       PRO   8  -6.812  -6.587  -1.034
   50    HB2  PRO   8           HB2      PRO   8  -6.101  -9.085  -1.561
   51    HB3  PRO   8           HB1      PRO   8  -7.378  -8.292  -2.494
   52    HG2  PRO   8           HG2      PRO   8  -4.530  -8.772  -3.196
   53    HG3  PRO   8           HG1      PRO   8  -5.974  -8.907  -4.212
   54    HD2  PRO   8           HD2      PRO   8  -4.250  -6.737  -4.141
   55    HD3  PRO   8           HD1      PRO   8  -5.887  -6.673  -4.780
   56    H    LYS   9           HN       LYS   9  -5.932  -7.927   0.662
   57    HA   LYS   9           HA       LYS   9  -3.683  -6.845   1.841
   58    HB2  LYS   9           HB2      LYS   9  -4.783  -9.607   2.366
   59    HB3  LYS   9           HB1      LYS   9  -3.818  -8.636   3.469
   60    HG2  LYS   9           HG2      LYS   9  -6.293  -7.372   2.501
   61    HG3  LYS   9           HG1      LYS   9  -6.503  -8.783   3.541
   62    HD2  LYS   9           HD2      LYS   9  -5.296  -7.776   5.309
   63    HD3  LYS   9           HD1      LYS   9  -4.686  -6.494   4.260
   64    HE2  LYS   9           HE2      LYS   9  -6.400  -5.518   5.561
   65    HE3  LYS   9           HE1      LYS   9  -7.087  -5.773   3.957
   66    HZ1  LYS   9           HZ1      LYS   9  -7.437  -7.798   6.071
   67    HZ2  LYS   9           HZ2      LYS   9  -8.388  -7.515   4.701
   68    HZ3  LYS   9           HZ3      LYS   9  -8.450  -6.444   6.009
   69    H    SER  10           HN       SER  10  -3.836  -9.339  -0.542
   70    HA   SER  10           HA       SER  10  -1.259 -10.456   0.060
   71    HB2  SER  10           HB2      SER  10  -3.430 -11.366  -1.320
   72    HB3  SER  10           HB1      SER  10  -2.347 -10.915  -2.636
   73    HG   SER  10           HG       SER  10  -0.722 -12.170  -1.372
   74    H    GLU  11           HN       GLU  11  -2.377  -7.755  -1.786
   75    HA   GLU  11           HA       GLU  11   0.110  -7.648  -3.333
   76    HB2  GLU  11           HB2      GLU  11  -2.610  -6.671  -3.622
   77    HB3  GLU  11           HB1      GLU  11  -1.428  -5.424  -3.965
   78    HG2  GLU  11           HG2      GLU  11  -0.795  -7.962  -5.237
   79    HG3  GLU  11           HG1      GLU  11  -2.377  -7.336  -5.709
   80    H    CYS  12           HN       CYS  12  -1.734  -5.871  -0.948
   81    HA   CYS  12           HA       CYS  12   0.365  -3.856  -0.768
   82    HB2  CYS  12           HB2      CYS  12  -2.496  -4.021  -0.030
   83    HB3  CYS  12           HB1      CYS  12  -1.479  -2.979   0.975
   84    H    THR  13           HN       THR  13   1.992  -4.422   0.466
   85    HA   THR  13           HA       THR  13   1.417  -5.725   3.045
   86    HB   THR  13           HB       THR  13   3.857  -6.551   2.792
   87    HG1  THR  13           HG1      THR  13   3.306  -6.001   0.071
   88   HG21  THR  13          HG21      THR  13   1.737  -7.934   2.411
   89   HG22  THR  13          HG22      THR  13   3.238  -8.510   1.685
   90   HG23  THR  13          HG23      THR  13   2.038  -7.680   0.688
   91    H    GLN  14           HN       GLN  14   2.468  -4.954   4.874
   92    HA   GLN  14           HA       GLN  14   2.996  -2.258   5.096
   93    HB2  GLN  14           HB2      GLN  14   4.368  -4.362   6.771
   94    HB3  GLN  14           HB1      GLN  14   3.951  -2.720   7.243
   95    HG2  GLN  14           HG2      GLN  14   2.074  -5.020   6.759
   96    HG3  GLN  14           HG1      GLN  14   2.409  -4.201   8.283
   97   HE21  GLN  14          HE21      GLN  14   0.574  -4.181   5.374
   98   HE22  GLN  14          HE22      GLN  14  -0.365  -2.774   5.720
   99    H    PHE  15           HN       PHE  15   5.022  -4.810   3.973
  100    HA   PHE  15           HA       PHE  15   7.542  -3.585   4.142
  101    HB2  PHE  15           HB2      PHE  15   6.324  -5.890   2.811
  102    HB3  PHE  15           HB1      PHE  15   7.649  -5.192   1.898
  103    HD1  PHE  15           HD2      PHE  15   9.874  -4.882   3.095
  104    HD2  PHE  15           HD1      PHE  15   6.719  -7.291   4.626
  105    HE1  PHE  15           HE2      PHE  15  11.480  -6.057   4.537
  106    HE2  PHE  15           HE1      PHE  15   8.319  -8.473   6.074
  107    HZ   PHE  15           HZ       PHE  15  10.704  -7.857   6.031
  108    H    ARG  16           HN       ARG  16   4.961  -3.415   1.772
  109    HA   ARG  16           HA       ARG  16   6.337  -2.143  -0.306
  110    HB2  ARG  16           HB2      ARG  16   3.427  -1.813   0.430
  111    HB3  ARG  16           HB1      ARG  16   4.147  -1.505  -1.135
  112    HG2  ARG  16           HG2      ARG  16   4.116  -4.186   0.184
  113    HG3  ARG  16           HG1      ARG  16   2.906  -3.633  -0.974
  114    HD2  ARG  16           HD2      ARG  16   4.230  -4.439  -2.574
  115    HD3  ARG  16           HD1      ARG  16   5.335  -3.114  -2.212
  116    HE   ARG  16           HE       ARG  16   6.067  -4.972  -0.417
  117   HH11  ARG  16          HH11      ARG  16   5.536  -5.144  -3.864
  118   HH12  ARG  16          HH12      ARG  16   6.687  -6.415  -4.103
  119   HH21  ARG  16          HH21      ARG  16   7.582  -6.641  -0.732
  120   HH22  ARG  16          HH22      ARG  16   7.849  -7.265  -2.326
  121    H    CYS  17           HN       CYS  17   4.589  -0.758   2.458
  122    HA   CYS  17           HA       CYS  17   4.985   1.916   1.610
  123    HB2  CYS  17           HB2      CYS  17   4.152   0.663   4.194
  124    HB3  CYS  17           HB1      CYS  17   4.566   2.372   4.144
  125    H    ARG  18           HN       ARG  18   6.922  -0.345   3.352
  126    HA   ARG  18           HA       ARG  18   8.692   1.422   4.638
  127    HB2  ARG  18           HB2      ARG  18   8.426  -1.352   4.359
  128    HB3  ARG  18           HB1      ARG  18  10.032  -0.963   3.719
  129    HG2  ARG  18           HG2      ARG  18  10.575   0.168   5.825
  130    HG3  ARG  18           HG1      ARG  18   8.976  -0.229   6.459
  131    HD2  ARG  18           HD2      ARG  18   9.860  -2.671   5.648
  132    HD3  ARG  18           HD1      ARG  18  11.365  -1.908   6.161
  133    HE   ARG  18           HE       ARG  18  10.677  -2.156   8.316
  134   HH11  ARG  18          HH11      ARG  18   7.859  -2.248   6.260
  135   HH12  ARG  18          HH12      ARG  18   6.770  -2.612   7.557
  136   HH21  ARG  18          HH21      ARG  18   9.247  -2.636  10.024
  137   HH22  ARG  18          HH22      ARG  18   7.558  -2.832   9.694
  138    H    THR  19           HN       THR  19   8.966  -0.317   1.634
  139    HA   THR  19           HA       THR  19  11.213   1.403   0.880
  140    HB   THR  19           HB       THR  19  11.887  -0.799   1.299
  141    HG1  THR  19           HG1      THR  19  12.766  -1.329  -0.645
  142   HG21  THR  19          HG21      THR  19   9.835  -1.954   1.322
  143   HG22  THR  19          HG22      THR  19  10.907  -2.752   0.163
  144   HG23  THR  19          HG23      THR  19   9.603  -1.711  -0.412
  145    H    SER  20           HN       SER  20   8.169   0.058  -0.250
  146    HA   SER  20           HA       SER  20   8.549   1.139  -2.923
  147    HB2  SER  20           HB2      SER  20   6.829  -0.849  -1.698
  148    HB3  SER  20           HB1      SER  20   5.904   0.263  -2.705
  149    HG   SER  20           HG       SER  20   6.678  -1.445  -3.956
  150    H    MET  21           HN       MET  21   8.248   3.243  -3.223
  151    HA   MET  21           HA       MET  21   6.543   4.807  -1.517
  152    HB2  MET  21           HB2      MET  21   8.543   5.316  -3.599
  153    HB3  MET  21           HB1      MET  21   7.211   6.462  -3.598
  154    HG2  MET  21           HG2      MET  21   8.407   7.559  -2.077
  155    HG3  MET  21           HG1      MET  21   7.828   6.333  -0.951
  156    HE1  MET  21           HE1      MET  21  11.341   8.015  -1.648
  157    HE2  MET  21           HE2      MET  21  11.491   7.240  -0.071
  158    HE3  MET  21           HE3      MET  21  10.017   8.113  -0.487
  159    H    LYS  22           HN       LYS  22   6.258   3.289  -4.624
  160    HA   LYS  22           HA       LYS  22   3.998   4.844  -5.472
  161    HB2  LYS  22           HB2      LYS  22   5.579   3.798  -7.063
  162    HB3  LYS  22           HB1      LYS  22   5.028   2.212  -6.541
  163    HG2  LYS  22           HG2      LYS  22   2.777   3.808  -7.300
  164    HG3  LYS  22           HG1      LYS  22   3.982   3.820  -8.588
  165    HD2  LYS  22           HD2      LYS  22   2.937   1.325  -7.252
  166    HD3  LYS  22           HD1      LYS  22   2.322   1.973  -8.774
  167    HE2  LYS  22           HE2      LYS  22   4.466   1.674  -9.825
  168    HE3  LYS  22           HE1      LYS  22   5.193   1.191  -8.292
  169    HZ1  LYS  22           HZ1      LYS  22   3.249  -0.593  -8.460
  170    HZ2  LYS  22           HZ2      LYS  22   4.783  -0.851  -9.126
  171    HZ3  LYS  22           HZ3      LYS  22   3.509  -0.335 -10.113
  172    H    TYR  23           HN       TYR  23   4.429   2.079  -3.474
  173    HA   TYR  23           HA       TYR  23   1.775   1.035  -3.899
  174    HB2  TYR  23           HB2      TYR  23   4.023   0.329  -2.039
  175    HB3  TYR  23           HB1      TYR  23   2.432  -0.409  -1.881
  176    HD1  TYR  23           HD2      TYR  23   4.717   0.390  -4.730
  177    HD2  TYR  23           HD1      TYR  23   2.347  -2.529  -2.747
  178    HE1  TYR  23           HE2      TYR  23   5.323  -1.262  -6.451
  179    HE2  TYR  23           HE1      TYR  23   2.942  -4.189  -4.455
  180    HH   TYR  23           HH       TYR  23   5.441  -3.678  -6.723
  181    H    ARG  24           HN       ARG  24   3.377   3.070  -1.540
  182    HA   ARG  24           HA       ARG  24   1.424   2.943   0.482
  183    HB2  ARG  24           HB2      ARG  24   3.122   5.361  -0.078
  184    HB3  ARG  24           HB1      ARG  24   2.484   4.823   1.465
  185    HG2  ARG  24           HG2      ARG  24   4.165   3.404   1.814
  186    HG3  ARG  24           HG1      ARG  24   4.289   2.940   0.117
  187    HD2  ARG  24           HD2      ARG  24   5.306   5.218  -0.281
  188    HD3  ARG  24           HD1      ARG  24   5.387   5.392   1.470
  189    HE   ARG  24           HE       ARG  24   6.617   2.984   0.448
  190   HH11  ARG  24          HH11      ARG  24   7.089   6.346   1.291
  191   HH12  ARG  24          HH12      ARG  24   8.796   6.177   1.524
  192   HH21  ARG  24          HH21      ARG  24   8.861   2.768   0.769
  193   HH22  ARG  24          HH22      ARG  24   9.802   4.147   1.227
  194    H    LEU  25           HN       LEU  25   2.020   5.594  -1.800
  195    HA   LEU  25           HA       LEU  25  -0.611   6.683  -1.217
  196    HB2  LEU  25           HB2      LEU  25   1.449   7.842  -3.063
  197    HB3  LEU  25           HB1      LEU  25   0.166   8.678  -2.203
  198    HG   LEU  25           HG       LEU  25   1.940   9.299  -0.904
  199   HD11  LEU  25          HD11      LEU  25   1.630   8.374   1.131
  200   HD12  LEU  25          HD12      LEU  25   1.874   6.728   0.549
  201   HD13  LEU  25          HD13      LEU  25   0.319   7.528   0.310
  202   HD21  LEU  25          HD21      LEU  25   3.925   8.526  -1.534
  203   HD22  LEU  25          HD22      LEU  25   3.223   7.037  -2.163
  204   HD23  LEU  25          HD23      LEU  25   3.654   7.157  -0.456
  205    H    ASN  26           HN       ASN  26   1.166   5.529  -4.067
  206    HA   ASN  26           HA       ASN  26  -0.891   6.218  -5.887
  207    HB2  ASN  26           HB2      ASN  26   1.726   5.495  -6.097
  208    HB3  ASN  26           HB1      ASN  26   0.907   4.064  -6.726
  209   HD21  ASN  26          HD21      ASN  26   0.272   7.550  -6.914
  210   HD22  ASN  26          HD22      ASN  26   0.172   7.611  -8.638
  211    H    LEU  27           HN       LEU  27  -0.154   3.173  -4.197
  212    HA   LEU  27           HA       LEU  27  -2.393   1.912  -5.586
  213    HB2  LEU  27           HB2      LEU  27  -0.090   0.918  -4.009
  214    HB3  LEU  27           HB1      LEU  27  -1.565  -0.021  -3.912
  215    HG   LEU  27           HG       LEU  27  -1.563  -0.115  -6.430
  216   HD11  LEU  27          HD11      LEU  27   0.747   0.201  -7.425
  217   HD12  LEU  27          HD12      LEU  27   1.127   1.136  -5.978
  218   HD13  LEU  27          HD13      LEU  27  -0.167   1.664  -7.055
  219   HD21  LEU  27          HD21      LEU  27  -0.753  -1.915  -4.854
  220   HD22  LEU  27          HD22      LEU  27   0.882  -1.343  -5.185
  221   HD23  LEU  27          HD23      LEU  27  -0.113  -1.977  -6.496
  222    H    CYS  28           HN       CYS  28  -1.938   0.690  -2.401
  223    HA   CYS  28           HA       CYS  28  -4.540   1.780  -1.640
  224    HB2  CYS  28           HB2      CYS  28  -4.429   0.115   0.146
  225    HB3  CYS  28           HB1      CYS  28  -4.095  -0.637  -1.417
  226    H    LYS  29           HN       LYS  29  -4.864   2.907   0.267
  227    HA   LYS  29           HA       LYS  29  -2.615   4.473   1.158
  228    HB2  LYS  29           HB2      LYS  29  -5.543   4.547   1.885
  229    HB3  LYS  29           HB1      LYS  29  -4.340   5.653   2.537
  230    HG2  LYS  29           HG2      LYS  29  -4.262   5.525  -0.362
  231    HG3  LYS  29           HG1      LYS  29  -5.842   6.022   0.253
  232    HD2  LYS  29           HD2      LYS  29  -3.467   7.284   1.492
  233    HD3  LYS  29           HD1      LYS  29  -3.834   7.742  -0.172
  234    HE2  LYS  29           HE2      LYS  29  -5.213   9.243   0.761
  235    HE3  LYS  29           HE1      LYS  29  -6.295   7.869   0.987
  236    HZ1  LYS  29           HZ1      LYS  29  -4.282   8.634   3.016
  237    HZ2  LYS  29           HZ2      LYS  29  -5.633   7.634   3.207
  238    HZ3  LYS  29           HZ3      LYS  29  -5.837   9.300   2.999
  239    H    LYS  30           HN       LYS  30  -5.099   2.536   2.790
  240    HA   LYS  30           HA       LYS  30  -3.551   2.442   5.206
  241    HB2  LYS  30           HB2      LYS  30  -5.904   2.669   5.435
  242    HB3  LYS  30           HB1      LYS  30  -6.200   1.256   4.430
  243    HG2  LYS  30           HG2      LYS  30  -6.567   0.531   6.622
  244    HG3  LYS  30           HG1      LYS  30  -4.962  -0.073   6.199
  245    HD2  LYS  30           HD2      LYS  30  -4.592   0.799   8.299
  246    HD3  LYS  30           HD1      LYS  30  -4.143   2.155   7.263
  247    HE2  LYS  30           HE2      LYS  30  -6.681   2.783   7.550
  248    HE3  LYS  30           HE1      LYS  30  -6.536   1.798   9.004
  249    HZ1  LYS  30           HZ1      LYS  30  -5.883   3.746   9.887
  250    HZ2  LYS  30           HZ2      LYS  30  -5.392   4.399   8.406
  251    HZ3  LYS  30           HZ3      LYS  30  -4.378   3.329   9.235
  252    H    THR  31           HN       THR  31  -4.796  -0.132   3.028
  253    HA   THR  31           HA       THR  31  -3.778  -2.277   4.374
  254    HB   THR  31           HB       THR  31  -3.893  -1.996   1.375
  255    HG1  THR  31           HG1      THR  31  -5.796  -2.809   3.308
  256   HG21  THR  31          HG21      THR  31  -4.144  -4.514   2.970
  257   HG22  THR  31          HG22      THR  31  -2.605  -3.965   2.310
  258   HG23  THR  31          HG23      THR  31  -3.954  -4.328   1.228
  259    H    CYS  32           HN       CYS  32  -1.977  -0.037   2.420
  260    HA   CYS  32           HA       CYS  32   0.353  -1.720   2.241
  261    HB2  CYS  32           HB2      CYS  32   0.170  -0.071   0.540
  262    HB3  CYS  32           HB1      CYS  32  -0.058   1.225   1.708
  263    H    GLY  33           HN       GLY  33  -1.018   0.160   4.673
  264    HA2  GLY  33           HA2      GLY  33  -0.312   0.177   6.908
  265    HA3  GLY  33           HA1      GLY  33   1.281  -0.335   6.386
  266    H    THR  34           HN       THR  34  -0.535   2.483   5.199
  267    HA   THR  34           HA       THR  34   1.466   4.195   6.520
  268    HB   THR  34           HB       THR  34   2.116   4.182   4.231
  269    HG1  THR  34           HG1      THR  34   2.144   6.284   3.966
  270   HG21  THR  34          HG21      THR  34   0.030   3.322   3.248
  271   HG22  THR  34          HG22      THR  34   0.705   4.698   2.376
  272   HG23  THR  34          HG23      THR  34  -0.679   4.925   3.444
  273    H    CYS  35           HN       CYS  35  -1.825   3.830   5.372
  274    HA   CYS  35           HA       CYS  35  -2.801   6.388   5.901
  275    HB2  CYS  35           HB2      CYS  35  -3.965   4.345   4.811
  276    HB3  CYS  35           HB1      CYS  35  -4.439   3.931   6.452