*HEADER    TRANSPORT PROTEIN INHIBITOR             14-FEB-15   2MZL              
*TITLE     THE SOLUTION STRUCTURE OF THE MAGNESIUM-BOUND CONANTOKIN-G MUTANT     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONANTOKIN-R1-B;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CON-R1-B;                                                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS ROLANI;                                   
*SOURCE   4 ORGANISM_COMMON: CONE SNAIL;                                         
*SOURCE   5 ORGANISM_TAXID: 745791                                               
*KEYWDS    TOXIN, NMDAR ANTAGONIST, HYP-CONTAINING, METAL BINDING PROTEIN,       
*KEYWDS   2 TRANSPORT PROTEIN INHIBITOR                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.KUNDA, Y.YUAN, R.D.BALSARA, J.ZAJICEK, F.J.CASTELLINO               
*REVDAT   1   17-JUN-15 2MZL    0                                                


!strong 

assign (residue 1 and name HA2) (residue 1 and name HA1) 2.5 0.7 0.5

assign (residue 2 and name HB#) (residue 2 and name HA) 2.5 0.7 1.5
assign (residue 2 and name HB#) (residue 3 and name HN) 2.5 0.7 1.5
assign (residue 2 and name HG1) (residue 2 and name HN) 2.5 0.7 1.0

assign (residue 2 and name HG2) (residue 2 and name HN) 2.5 0.7 1.0  
assign (residue 3 and name HB1) (residue 3 and name HA) 2.5 0.7 0.5
assign (residue 3 and name HB1) (residue 3 and name HG) 2.5 0.7 0.5
assign (residue 3 and name HB1) (residue 3 and name HN) 2.5 0.7 1.5
assign (residue 3 and name HB2) (residue 3 and name HN) 2.5 0.7 1.5

assign (residue 3 and name HB1) (residue 3 and name HB2) 2.5 0.7 0.5
assign (residue 3 and name HN) (residue 4 and name HN) 2.5 0.7 0.5

assign (residue 4 and name HA) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 4 and name HB1) (residue 4 and name HG) 2.5 0.7 0.5
assign (residue 4 and name HB2) (residue 4 and name HG) 2.5 0.7 0.5
assign (residue 4 and name HB2) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 4 and name HG) (residue 4 and name HA) 2.5 0.7 0.5
assign (residue 4 and name HG) (residue 4 and name HN) 2.5 0.7 0.5
assign (residue 4 and name HN) (residue 5 and name HN) 2.5 0.7 0.5

assign (residue 5 and name HA) (residue 5 and name HN) 2.5 0.7 0.5

assign (residue 5 and name HB1) (residue 5 and name HB2) 2.5 0.7 0.5  
assign (residue 5 and name HB1) (residue 5 and name HN) 2.5 0.7 0.5   
assign (residue 5 and name HB#) (residue 6 and name HA) 2.5 0.7 2.5   
assign (residue 5 and name HD1#) (residue 6 and name HA) 2.5 0.7 1.5  
assign (residue 5 and name HB1) (residue 5 and name HG) 2.5 0.7 1.0

assign (residue 5 and name HB2) (residue 5 and name HG) 2.5 0.7 1.0

assign (residue 5 and name HD1#) (residue 5 and name HG) 2.5 0.7 1.0

assign (residue 5 and name HD2#) (residue 5 and name HG) 2.5 0.7 1.0

assign (residue 6 and name HB#) (residue 6 and name HN) 2.5 0.7 1.5

assign (residue 6 and name HA) (residue 9 and name HB#) 3.0 0.7 1.5

assign (residue 7 and name HB#) (residue 7 and name HA) 2.5 0.7 1.5
assign (residue 7 and name HB#) (residue 7 and name HG) 2.5 0.7 1.5
assign (residue 7 and name HB#) (residue 7 and name HN) 2.5 0.7 1.5
assign (residue 7 and name HG) (residue 7 and name HA) 2.5 0.7 0.5
assign (residue 7 and name HN) (residue 7 and name HA) 2.5 0.7 0.5

assign (residue 9 and name HB#) (residue 9 and name HA) 2.5 0.7 1.5
assign (residue 9 and name HE22) (residue 9 and name HE21) 2.5 0.7 1.5

assign (residue 10 and name HA) (residue 10 and name HB1) 2.5 0.7 0.5   
assign (residue 10 and name HA) (residue 10 and name HB2) 2.5 0.7 0.5   
assign (residue 10 and name HA) (residue 10 and name HD21) 3.5 1.7 0.5  
assign (residue 10 and name HA) (residue 10 and name HD22) 3.5 1.7 0.5  
assign (residue 10 and name HA) (residue 10 and name HG) 4.0 2.2 1.7    
assign (residue 10 and name HB2) (residue 10 and name HD22) 2.5 0.7 0.5
assign (residue 10 and name HB1) (residue 10 and name HD21) 3.5 1.7 0.5 
assign (residue 10 and name HB1) (residue 10 and name HD22) 3.5 1.7 0.5

assign (residue 10 and name HG) (residue 10 and name HD21) 2.5 0.7 0.5    
assign (residue 10 and name HG) (residue 10 and name HD22) 2.5 0.7 0.5
assign (residue 10 and name HD21) (residue 10 and name HD22) 2.5 0.7 0.5  
assign (residue 10 and name HA) (residue 13 and name HN) 4.0 2.2 1.7     
assign (residue 10 and name HD21) (residue 9 and name HA)  2.5 0.7 1.5   
assign (residue 10 and name HD22) (residue 9 and name HA)  2.5 0.7 1.5
assign (residue 10 and name HD21) (residue 9 and name HB#)  2.5 0.7 1.5  
assign (residue 10 and name HD22) (residue 9 and name HB#)  2.5 0.7 1.5


assign (residue 10 and name HB1) (residue 11 and name HN) 4.0 2.2 1.7
assign (residue 10 and name HB2) (residue 11 and name HN) 4.0 2.2 1.7 
assign (residue 10 and name HA) (residue 11 and name HN) 3.5 1.7 0.5   
assign (residue 10 and name HA) (residue 13 and name HD1#) 4.0 2.2 1.5 

assign (residue 11 and name HA) (residue 16 and name HN) 3.5 0.7 1.5      
assign (residue 11 and name HB1) (residue 11 and name HG) 2.5 0.7 0.5
assign (residue 11 and name HB1) (residue 11 and name HN) 3.0 0.7 0.5

assign (residue 11 and name HB2) (residue 11 and name HN) 3.5 0.7 0.5      
assign (residue 11 and name HB2) (residue 11 and name HG) 2.5 0.7 0.5

assign (residue 11 and name HB1) (residue 11 and name HB2) 2.5 0.7 0.5
assign (residue 11 and name HN) (residue 12 and name HN) 2.5 0.7 0.5

assign (residue 12 and name HA) (residue 12 and name HN) 2.5 0.7 0.5
assign (residue 12 and name HB1) (residue 12 and name HA) 2.5 0.7 0.5
assign (residue 12 and name HB1) (residue 12 and name HN) 2.5 0.7 1.5     
assign (residue 12 and name HB2) (residue 12 and name HN) 2.5 0.7 1.5     
assign (residue 12 and name HB1) (residue 12 and name HB2) 2.5 0.7 0.5

assign (residue 12 and name HG) (residue 12 and name HN) 2.5 0.7 0.5
assign (residue 12 and name HA) (residue 15 and name HB1) 3.0 0.7 1.0

assign (residue 13 and name HA) (residue 13 and name HN) 2.5 0.7 0.5

assign (residue 13 and name HB#) (residue 13 and name HA) 2.5 0.7 1.5      
assign (residue 13 and name HD1#) (residue 13 and name HG11) 2.5 0.7 2.5    
assign (residue 13 and name HD1#) (residue 13 and name HB) 2.5 0.7 1.5
assign (residue 13 and name HD1#) (residue 13 and name HG12) 2.5 0.7 1.5
assign (residue 13 and name HG11) (residue 14 and name HN) 3.5 0.7 1.5     
assign (residue 13 and name HG12) (residue 13 and name HA) 2.5 0.7 0.5
assign (residue 13 and name HG12) (residue 13 and name HG11) 2.5 0.7 0.5
assign (residue 13 and name HG2#) (residue 13 and name HA) 2.5 0.7 1.5
assign (residue 13 and name HG2#) (residue 13 and name HB) 2.5 0.7 1.5
assign (residue 13 and name HG2#) (residue 16 and name HN) 2.5 0.7 2.5    

assign (residue 14 and name HA) (residue 14 and name HN) 2.5 0.7 0.5

assign (residue 14 and name HB#) (residue 14 and name HA) 2.5 0.7 1.5
assign (residue 14 and name HB#) (residue 14 and name HN) 2.5 0.7 1.5
assign (residue 14 and name HG#) (residue 14 and name HA) 2.5 0.7 1.5
assign (residue 14 and name HG#) (residue 14 and name HN) 3.5 0.7 1.5    
assign (residue 14 and name HN) (residue 15 and name HN) 2.5 0.7 0.5
assign (residue 14 and name HN) (residue 16 and name HN) 2.5 0.7 0.5

assign (residue 15 and name HA) (residue 15 and name HG) 2.5 0.7 0.5
assign (residue 15 and name HA) (residue 15 and name HN) 2.5 0.7 0.5
assign (residue 15 and name HB1) (residue 15 and name HA) 2.5 0.7 0.5
assign (residue 15 and name HB1) (residue 15 and name HB2) 2.5 0.7 0.5
assign (residue 15 and name HB1) (residue 15 and name HG) 2.5 0.7 0.5
assign (residue 15 and name HB1) (residue 15 and name HN) 2.5 0.7 0.5
assign (residue 15 and name HB2) (residue 15 and name HA) 2.5 0.7 0.5
assign (residue 15 and name HB2) (residue 15 and name HG) 2.5 0.7 0.5
assign (residue 15 and name HG) (residue 15 and name HN) 3.0 0.7 1.0          
assign (residue 15 and name HN) (residue 16 and name HN) 2.5 0.7 0.5

assign (residue 16 and name HA) (residue 16 and name HN) 2.5 0.7 0.5
assign (residue 16 and name HB1) (residue 16 and name HN) 2.5 0.7 0.5
assign (residue 16 and name HB2) (residue 16 and name HA) 2.5 0.7 0.5
assign (residue 16 and name HB2) (residue 16 and name HN) 2.5 0.7 0.5
assign (residue 16 and name HD#) (residue 16 and name HA) 2.5 0.7 1.5
assign (residue 16 and name HD#) (residue 16 and name HE2) 2.5 0.7 1.5
assign (residue 16 and name HD#) (residue 16 and name HE1) 2.5 0.7 1.5       

assign (residue 16 and name HD#) (residue 16 and name HN) 2.5 0.7 1.5
assign (residue 16 and name HE2) (residue 16 and name HE1) 2.5 0.7 0.5
assign (residue 16 and name HG#) (residue 16 and name HA) 2.5 0.7 1.5
assign (residue 16 and name HG#) (residue 16 and name HE1) 2.5 0.7 1.5

assign (residue 17 and name HA) (residue 17 and name HN) 2.5 0.7 0.5
assign (residue 17 and name HB#) (residue 17 and name HN) 2.5 0.7 0.5    
assign (residue 18 and name H1) (residue 18 and name H2) 2.5 0.7 0.5
assign (residue 18 and name HB2) (residue 18 and name HD21) 2.5 0.7 0.5
assign (residue 18 and name HD21) (residue 18 and name HD22) 2.5 0.7 0.5


!medium 

assign (residue 2 and name HA) (residue 2 and name HN) 3.5 1.7 0.5
assign (residue 2 and name HA) (residue 3 and name HN) 3.5 0.5 0.5
assign (residue 2 and name HA) (residue 4 and name HN) 4.4 0.5 0.5

assign (residue 2 and name HA) (residue 5 and name HB1) 3.5 0.5 0.5

assign (residue 2 and name HA) (residue 5 and name HB2) 3.5 0.5 0.5
assign (residue 2 and name HG#) (residue 2 and name HA) 3.5 1.7 1.5
assign (residue 2 and name HG#) (residue 3 and name HA) 3.5 1.7 1.5
assign (residue 2 and name HG#) (residue 6 and name HN) 3.5 1.7 2.5     

assign (residue 3 and name HA) (residue 4 and name HN) 3.5 0.5 0.5
assign (residue 3 and name HB1) (residue 4 and name HN) 3.5 1.7 0.5

assign (residue 3 and name HB2) (residue 4 and name HN) 3.5 1.7 0.5
assign (residue 3 and name HB2) (residue 3 and name HA) 3.5 1.7 0.5
assign (residue 3 and name HB2) (residue 3 and name HG) 3.5 1.7 0.5
assign (residue 3 and name HG) (residue 3 and name HA) 3.5 1.7 0.5
assign (residue 3 and name HN) (residue 3 and name HA) 3.5 1.7 0.5

assign (residue 4 and name HB#) (residue 4 and name HA) 3.5 1.7 0.5
assign (residue 4 and name HB1) (residue 5 and name HN) 3.5 1.7 0.5
assign (residue 4 and name HB2) (residue 5 and name HN) 3.5 1.7 0.5

assign (residue 4 and name HA) (residue 7 and name HB#) 3.0 0.7 1.0

assign (residue 5 and name HA) (residue 6 and name HN) 3.5 0.5 0.5
assign (residue 5 and name HB1) (residue 5 and name HA) 3.5 1.7 0.5
assign (residue 5 and name HB#) (residue 6 and name HA) 3.5 1.7 1.5   
assign (residue 5 and name HB2) (residue 5 and name HN) 3.5 1.7 0.5
assign (residue 5 and name HG) (residue 5 and name HN) 3.5 1.7 0.5
assign (residue 5 and name HN) (residue 5 and name HA) 3.5 1.7 0.5
assign (residue 5 and name HN) (residue 6 and name HN) 3.5 1.7 0.5

assign (residue 6 and name HA) (residue 6 and name HN) 3.5 1.7 0.5
assign (residue 6 and name HA) (residue 7 and name HN) 3.5 0.5 0.5
assign (residue 6 and name HB) (residue 7 and name HN) 3.5 1.7 0.5
assign (residue 6 and name HG#) (residue 6 and name HA) 3.5 1.7 0.5
assign (residue 6 and name HN) (residue 7 and name HN) 2.5 0.7 0.5    

assign (residue 7 and name HA) (residue 7 and name HG) 3.5 1.7 0.5
assign (residue 7 and name HA) (residue 7 and name HN) 2.5 0.7 0.5    
assign (residue 7 and name HB#) (residue 4 and name HA) 3.5 1.7 0.5
assign (residue 7 and name HG) (residue 7 and name HN) 3.5 1.7 0.5

assign (residue 8 and name HA) (residue 8 and name HN) 2.5 0.7 0.5
assign (residue 8 and name HB2) (residue 8 and name HN) 3.5 1.7 0.5
assign (residue 8 and name HB1) (residue 8 and name HN) 4.0 2.2 0.5

assign (residue 9 and name HA) (residue 9 and name HN) 2.5 0.7 0.5
assign (residue 9 and name HA) (residue 12 and name HN) 3.5 0.5 1.0
assign (residue 9 and name HB#) (residue 9 and name HN) 3.5 1.7 0.5
assign (residue 9 and name HG#) (residue 9 and name HA) 3.5 1.7 0.5
assign (residue 9 and name HN) (residue 6 and name HA) 3.5 0.5 0.5

assign (residue 11 and name HA) (residue 11 and name HG) 3.5 1.7 0.5
assign (residue 11 and name HA) (residue 11 and name HN) 2.5 0.7 0.5
assign (residue 11 and name HA) (residue 12 and name HN) 3.5 0.5 0.5
assign (residue 11 and name HB1) (residue 11 and name HA) 3.5 1.7 0.5
assign (residue 11 and name HB1) (residue 12 and name HN) 3.5 1.7 0.5
assign (residue 11 and name HB2) (residue 12 and name HN) 3.5 1.7 0.5
assign (residue 11 and name HG) (residue 12 and name HN) 3.5 0.5 0.5
assign (residue 11 and name HG) (residue 15 and name HN) 3.5 1.7 1.5

assign (residue 12 and name HA) (residue 13 and name HN) 3.5 0.5 0.5

assign (residue 12 and name HB1) (residue 13 and name HN) 3.5 0.5 0.5
assign (residue 12 and name HA) (residue 15 and name HN) 3.5 0.5 0.5
assign (residue 12 and name HB#) (residue 17 and name HA) 3.5 1.7 1.5   
assign (residue 12 and name HD1#) (residue 17 and name HA) 3.5 1.7 1.5  
assign (residue 12 and name HD1#) (residue 12 and name HB1) 3.5 1.7 1.5
assign (residue 12 and name HG) (residue 12 and name HA) 3.5 1.7 0.5

assign (residue 13 and name HB) (residue 10 and name HA) 3.5 1.7 0.5
assign (residue 13 and name HD1#) (residue 13 and name HA) 3.5 1.7 1.5
assign (residue 13 and name HG12) (residue 13 and name HA) 3.5 1.7 1.5
assign (residue 13 and name HG11) (residue 13 and name HN) 3.5 1.7 0.5
assign (residue 13 and name HG2#) (residue 10 and name HA) 3.5 1.7 2.5   
assign (residue 13 and name HA) (residue 16 and name HN) 3.5 0.5 0.5

assign (residue 14 and name HG#) (residue 14 and name HA) 3.5 1.7 1.5
assign (residue 14 and name HA) (residue 17 and name HN) 3.5 0.7 0.5 

assign (residue 15 and name HB2) (residue 14 and name HN) 3.5 1.7 0.5

assign (residue 16 and name HB2) (residue 16 and name HE2) 3.5 1.7 0.5
assign (residue 16 and name HB2) (residue 16 and name HE2) 3.5 1.7 0.5
assign (residue 16 and name HG#) (residue 16 and name HE2) 3.5 1.7 1.5
assign (residue 16 and name HG#) (residue 16 and name HN) 3.5 1.7 1.5

assign (residue 18 and name HB1) (residue 18 and name HD21) 3.5 1.7 0.5
assign (residue 18 and name HB2) (residue 18 and name HD22) 3.5 1.7 0.5
assign (residue 18 and name HN) (residue 15 and name HN) 3.5 1.7 3.5       

! weak 

assign (residue 1 and name HA#) (residue 4 and name HN) 4.0 2.2 1.7
assign (residue 1 and name HA#) (residue 2 and name HN) 4.0 2.2 1.7

assign (residue 2 and name HA) (residue 5 and name HN) 3.5 0.5 0.5

assign (residue 3 and name HA) (residue 6 and name HN) 3.5 0.5 0.5
assign (residue 3 and name HG) (residue 3 and name HN) 4.0 2.2 1.7
assign (residue 3 and name HG) (residue 4 and name HN) 4.5 2.2 1.0

assign (residue 4 and name HA) (residue 5 and name HN) 3.5 0.5 0.5
assign (residue 4 and name HA) (residue 7 and name HN) 3.5 0.5 0.5

assign (residue 5 and name HG) (residue 2 and name HA) 4.0 2.2 1.7
assign (residue 5 and name HG) (residue 5 and name HA) 4.0 2.2 1.7

assign (residue 7 and name HB#) (residue 8 and name HD21) 4.0 2.2 2.5  
assign (residue 7 and name HG) (residue 6 and name HA) 4.0 2.2 1.7
 
assign (residue 8 and name HA) (residue 11 and name HN) 4.0 2.2 1.7    
assign (residue 8 and name HB2) (residue 5 and name HA) 4.0 1.0 1.0

assign (residue 9 and name HA) (residue 13 and name HN)  4.4 1.7 0.5     
assign (residue 9 and name HG#) (residue 9 and name HE21) 4.0 2.2 1.7 
assign (residue 9 and name HN) (residue 11 and name HN) 4.0 2.2 1.7

assign (residue 11 and name HG) (residue 11 and name HN) 4.5 2.2 1.0
assign (residue 11 and name HA) (residue 15 and name HN) 4.0 2.2 1.7    
assign (residue 12 and name HD1#) (residue 12 and name HN) 4.0 2.2 1.7    
assign (residue 12 and name HG) (residue 17 and name HA) 4.0 2.2 1.7      

assign (residue 13 and name HD1#) (residue 13 and name HN) 4.0 2.2 1.7
assign (residue 13 and name HG12) (residue 16 and name HN) 4.0 2.2 1.7

assign (residue 14 and name HA) (residue 18 and name HN) 4.4 0.5 0.7     

assign (residue 15 and name HB1) (residue 16 and name HN) 4.0 2.2 1.7
assign (residue 15 and name HB2) (residue 16 and name HN) 4.0 2.2 1.7

assign (residue 16 and name HB2) (residue 16 and name HE1) 4.0 2.2 1.7
assign (residue 16 and name HB2) (residue 16 and name HE1) 4.0 2.2 1.7
assign (residue 16 and name HN) (residue 12 and name HN) 4.0 2.2 1.7

assign (residue 18 and name HA) (residue 17 and name HA) 4.0 2.2 1.7
assign (residue 18 and name HA) (residue 18 and name HD21) 4.0 2.2 1.7
assign (residue 18 and name HB1) (residue 18 and name HD22) 4.0 2.2 1.7


assign (residue 3 and name O1#) (residue 100 and name MG) 3.0 2.2 0.5

assign (residue 7 and name O1#) (residue 100 and name MG) 3.0 2.2 0.5

assign (residue 3 and name O2#) (residue 100 and name MG) 3.0 2.2 0.5

assign (residue 7 and name O2#) (residue 100 and name MG) 3.0 2.2 0.5

assign (residue 11 and name O1#) (residue 101 and name MG) 3.0 2.2 0.5

assign (residue 15 and name O1#) (residue 101 and name MG) 3.0 2.2 0.5

assign (residue 11 and name O2#) (residue 101 and name MG) 3.0 2.2 0.5

assign (residue 15 and name O2#) (residue 101 and name MG) 3.0 2.2 0.5


END
set message=off echo=off end
restraints dihedral reset

!# REMARK  error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree.

assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -59.9   20.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  -31.8   23.4 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -64.6   23.1 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -40.3   20.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -65.9   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -39.9   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -63.0   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -40.4   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -69.8   24.6 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -39.0   22.5 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -71.7   22.9 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -32.8   30.6 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -100.0   22.8 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -12.2   50.1 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -58.3   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  141.3   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -61.4   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -41.2   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -65.4   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -42.6   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -72.2   23.9 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -28.2   31.8 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -81.1   48.5 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -29.2   41.6 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -65.2   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -38.0   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -68.7   20.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -34.7   34.8 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   1.789  -3.377   2.989
    2    H2   GLY   1           HT2      GLY   1   3.154  -3.685   3.952
    3    H3   GLY   1           HT3      GLY   1   3.335  -3.363   2.294
    4    HA2  GLY   1           HA1      GLY   1   2.844  -1.119   2.521
    5    HA3  GLY   1           HA2      GLY   1   2.104  -1.381   4.104
    6    H    GLU   2           HN       GLU   2   3.548  -1.923   5.900
    7    HA   GLU   2           HA       GLU   2   5.793  -0.294   6.178
    8    HB2  GLU   2           HB2      GLU   2   6.498  -1.858   8.011
    9    HB3  GLU   2           HB1      GLU   2   4.797  -1.396   8.104
   10    HG2  GLU   2           HG2      GLU   2   4.345  -3.531   6.714
   11    HG3  GLU   2           HG1      GLU   2   5.980  -4.009   7.169
   12    H    CGU   3           HN       GLA   3   5.654  -3.617   4.925
   13    HA   CGU   3           HA       GLA   3   8.428  -4.128   4.759
   14    HB2  CGU   3           HB2      GLA   3   6.351  -4.956   2.717
   15    HB3  CGU   3           HB3      GLA   3   6.602  -5.780   4.260
   16    HG   CGU   3           HG       GLA   3   8.723  -5.388   2.122
   17    H    CGU   4           HN       GLA   4   6.295  -2.409   2.487
   18    HA   CGU   4           HA       GLA   4   8.122  -2.017   0.378
   19    HB2  CGU   4           HB2      GLA   4   6.782  -0.081  -0.234
   20    HB3  CGU   4           HB3      GLA   4   6.110   0.014   1.393
   21    HG   CGU   4           HG       GLA   4   5.232  -2.353   1.023
   22    H    LEU   5           HN       LEU   5   7.949  -0.472   3.525
   23    HA   LEU   5           HA       LEU   5   9.781   1.687   2.858
   24    HB2  LEU   5           HB2      LEU   5   8.544   2.269   4.724
   25    HB3  LEU   5           HB1      LEU   5   8.497   0.615   5.330
   26    HG   LEU   5           HG       LEU   5  10.771   0.751   6.109
   27   HD11  LEU   5          HD11      LEU   5  10.856   3.012   4.238
   28   HD12  LEU   5          HD12      LEU   5  12.167   1.987   4.821
   29   HD13  LEU   5          HD13      LEU   5  11.624   3.357   5.787
   30   HD21  LEU   5          HD21      LEU   5  10.572   2.505   7.782
   31   HD22  LEU   5          HD22      LEU   5   8.977   1.803   7.513
   32   HD23  LEU   5          HD23      LEU   5   9.389   3.361   6.794
   33    H    GLN   6           HN       GLN   6  10.160  -1.157   5.003
   34    HA   GLN   6           HA       GLN   6  12.898  -0.990   5.426
   35    HB2  GLN   6           HB2      GLN   6  11.207  -3.471   5.008
   36    HB3  GLN   6           HB1      GLN   6  12.855  -3.501   5.634
   37    HG2  GLN   6           HG2      GLN   6  11.477  -1.533   7.133
   38    HG3  GLN   6           HG1      GLN   6  10.403  -2.930   7.043
   39   HE21  GLN   6          HE21      GLN   6  13.970  -2.446   7.435
   40   HE22  GLN   6          HE22      GLN   6  14.119  -3.545   8.720
   41    H    CGU   7           HN       GLA   7  11.245  -2.450   2.631
   42    HA   CGU   7           HA       GLA   7  13.552  -3.461   1.319
   43    HB2  CGU   7           HB2      GLA   7  12.144  -3.148  -0.786
   44    HB3  CGU   7           HB3      GLA   7  10.914  -2.432   0.256
   45    HG   CGU   7           HG       GLA   7  10.914  -4.513   1.628
   46    H    ASN   8           HN       ASN   8  12.507  -0.211   1.811
   47    HA   ASN   8           HA       ASN   8  14.597   0.714  -0.123
   48    HB2  ASN   8           HB2      ASN   8  11.956   2.007   0.622
   49    HB3  ASN   8           HB1      ASN   8  13.220   2.821  -0.302
   50   HD21  ASN   8          HD21      ASN   8  13.256   2.440  -2.540
   51   HD22  ASN   8          HD22      ASN   8  12.347   1.240  -3.322
   52    H    GLN   9           HN       GLN   9  15.082   0.036   2.623
   53    HA   GLN   9           HA       GLN   9  14.981   2.301   4.342
   54    HB2  GLN   9           HB2      GLN   9  16.295   1.064   5.826
   55    HB3  GLN   9           HB1      GLN   9  15.538  -0.204   4.861
   56    HG2  GLN   9           HG2      GLN   9  17.639   0.129   3.308
   57    HG3  GLN   9           HG1      GLN   9  18.358   0.820   4.763
   58   HE21  GLN   9          HE21      GLN   9  19.829  -1.053   4.935
   59   HE22  GLN   9          HE22      GLN   9  19.248  -2.559   5.486
   60    HA   HYP  10           HA       HYP  10  17.902   5.222   2.896
   61    HB2  HYP  10           HB2      HYP  10  19.564   5.143   5.257
   62    HB3  HYP  10           HB1      HYP  10  18.407   6.400   4.786
   63    HG   HYP  10           HG       HYP  10  18.155   4.730   6.939
   64   HD22  HYP  10          HD22      HYP  10  17.734   2.727   5.860
   65   HD23  HYP  10          HD21      HYP  10  16.068   3.356   5.880
   66    HD1  HYP  10           HD1      HYP  10  16.168   5.934   5.311
   67    H    CGU  11           HN       GLA  11  18.903   3.964   1.350
   68    HA   CGU  11           HA       GLA  11  21.356   3.378   0.854
   69    HB2  CGU  11           HB2      GLA  11  20.661   1.392   3.047
   70    HB3  CGU  11           HB3      GLA  11  21.964   2.590   3.071
   71    HG   CGU  11           HG       GLA  11  22.599   1.275   0.800
   72    H    LEU  12           HN       LEU  12  18.709   1.092   1.721
   73    HA   LEU  12           HA       LEU  12  19.093  -0.570  -0.590
   74    HB2  LEU  12           HB2      LEU  12  16.774  -0.019   1.255
   75    HB3  LEU  12           HB1      LEU  12  16.517  -0.970  -0.210
   76    HG   LEU  12           HG       LEU  12  18.723  -1.604   1.758
   77   HD11  LEU  12          HD11      LEU  12  16.291  -1.655   2.689
   78   HD12  LEU  12          HD12      LEU  12  17.307  -3.077   2.922
   79   HD13  LEU  12          HD13      LEU  12  16.089  -3.064   1.645
   80   HD21  LEU  12          HD21      LEU  12  18.137  -3.927   0.614
   81   HD22  LEU  12          HD22      LEU  12  19.189  -2.769  -0.200
   82   HD23  LEU  12          HD23      LEU  12  17.489  -2.889  -0.655
   83    H    ILE  13           HN       ILE  13  17.422   2.429   0.014
   84    HA   ILE  13           HA       ILE  13  16.079   2.595  -2.545
   85    HB   ILE  13           HB       ILE  13  15.765   3.836  -0.182
   86   HG12  ILE  13          HG12      ILE  13  15.213   5.226  -2.817
   87   HG13  ILE  13          HG11      ILE  13  14.279   3.851  -2.212
   88   HG21  ILE  13          HG21      ILE  13  17.249   5.873  -1.862
   89   HG22  ILE  13          HG22      ILE  13  17.996   4.985  -0.534
   90   HG23  ILE  13          HG23      ILE  13  16.646   6.071  -0.218
   91   HD11  ILE  13          HD11      ILE  13  14.399   6.659  -1.192
   92   HD12  ILE  13          HD12      ILE  13  14.162   5.363  -0.019
   93   HD13  ILE  13          HD13      ILE  13  13.013   5.579  -1.339
   94    H    ARG  14           HN       ARG  14  19.197   3.679  -1.254
   95    HA   ARG  14           HA       ARG  14  19.788   5.189  -3.725
   96    HB2  ARG  14           HB2      ARG  14  20.521   5.932  -1.379
   97    HB3  ARG  14           HB1      ARG  14  21.677   4.600  -1.427
   98    HG2  ARG  14           HG2      ARG  14  21.659   6.326  -3.831
   99    HG3  ARG  14           HG1      ARG  14  22.218   7.108  -2.352
  100    HD2  ARG  14           HD2      ARG  14  23.991   5.591  -2.069
  101    HD3  ARG  14           HD1      ARG  14  23.253   4.389  -3.127
  102    HE   ARG  14           HE       ARG  14  24.262   5.480  -4.956
  103   HH11  ARG  14          HH21      ARG  14  22.976   8.157  -4.331
  104   HH12  ARG  14          HH22      ARG  14  24.370   9.163  -4.113
  105   HH21  ARG  14          HH11      ARG  14  26.562   6.500  -3.751
  106   HH22  ARG  14          HH12      ARG  14  26.399   8.224  -3.785
  107    H    CGU  15           HN       GLA  15  21.295   2.544  -1.863
  108    HA   CGU  15           HA       GLA  15  23.000   1.654  -3.921
  109    HB2  CGU  15           HB2      GLA  15  21.823  -0.495  -2.331
  110    HB3  CGU  15           HB3      GLA  15  22.276   0.876  -1.322
  111    HG   CGU  15           HG       GLA  15  24.309   0.137  -3.327
  112    H    LYS  16           HN       LYS  16  19.626   1.819  -3.649
  113    HA   LYS  16           HA       LYS  16  18.602  -0.458  -4.894
  114    HB2  LYS  16           HB2      LYS  16  17.467   1.839  -4.254
  115    HB3  LYS  16           HB1      LYS  16  17.755   2.221  -5.950
  116    HG2  LYS  16           HG2      LYS  16  15.651   1.230  -6.062
  117    HG3  LYS  16           HG1      LYS  16  16.702  -0.154  -6.361
  118    HD2  LYS  16           HD2      LYS  16  16.443  -0.981  -4.168
  119    HD3  LYS  16           HD1      LYS  16  15.849   0.565  -3.560
  120    HE2  LYS  16           HE2      LYS  16  13.792   0.326  -4.848
  121    HE3  LYS  16           HE1      LYS  16  14.382  -1.180  -5.557
  122    HZ1  LYS  16           HZ1      LYS  16  14.361  -0.992  -2.645
  123    HZ2  LYS  16           HZ2      LYS  16  14.042  -2.323  -3.652
  124    HZ3  LYS  16           HZ3      LYS  16  12.855  -1.130  -3.414
  125    H    SER  17           HN       SER  17  20.086   2.346  -6.544
  126    HA   SER  17           HA       SER  17  20.039   0.886  -9.108
  127    HB2  SER  17           HB2      SER  17  20.592   2.920 -10.113
  128    HB3  SER  17           HB1      SER  17  19.690   3.461  -8.700
  129    HG   SER  17           HG       SER  17  22.283   3.859  -9.356
  130    H    ASN  18           HN       ASN  18  22.375   1.910  -6.653
  131    HA   ASN  18           HA       ASN  18  24.615   0.837  -8.249
  132    HB2  ASN  18           HB2      ASN  18  24.331   2.424  -5.738
  133    HB3  ASN  18           HB1      ASN  18  25.773   1.424  -5.905
  134   HD21  ASN  18          HD21      ASN  18  24.197   4.333  -7.022
  135   HD22  ASN  18          HD22      ASN  18  25.415   4.810  -8.118
  136    HN1  NH2  19           H1       NH2  19  23.624  -1.432  -8.187
  137    HN2  NH2  19           H2       NH2  19  23.927  -2.397  -6.812
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   3.400  -2.989   2.388
    2    H2   GLY   1           HT2      GLY   1   1.718  -3.226   2.361
    3    H3   GLY   1           HT3      GLY   1   2.693  -4.142   3.409
    4    HA2  GLY   1           HA1      GLY   1   1.738  -1.399   3.667
    5    HA3  GLY   1           HA2      GLY   1   1.984  -2.629   4.911
    6    H    GLU   2           HN       GLU   2   3.781  -2.390   6.160
    7    HA   GLU   2           HA       GLU   2   5.648  -0.222   5.613
    8    HB2  GLU   2           HB2      GLU   2   6.778  -1.072   7.695
    9    HB3  GLU   2           HB1      GLU   2   5.068  -0.698   7.916
   10    HG2  GLU   2           HG2      GLU   2   4.460  -3.019   7.789
   11    HG3  GLU   2           HG1      GLU   2   6.081  -3.476   7.264
   12    H    CGU   3           HN       GLA   3   5.477  -3.544   4.814
   13    HA   CGU   3           HA       GLA   3   8.158  -4.371   4.763
   14    HB2  CGU   3           HB2      GLA   3   6.655  -5.091   2.338
   15    HB3  CGU   3           HB3      GLA   3   5.772  -5.395   3.839
   16    HG   CGU   3           HG       GLA   3   7.485  -6.824   4.669
   17    H    CGU   4           HN       GLA   4   6.376  -2.560   2.250
   18    HA   CGU   4           HA       GLA   4   8.413  -2.344   0.332
   19    HB2  CGU   4           HB2      GLA   4   7.294  -0.306  -0.428
   20    HB3  CGU   4           HB3      GLA   4   6.453  -0.164   1.114
   21    HG   CGU   4           HG       GLA   4   5.431  -2.430   0.660
   22    H    LEU   5           HN       LEU   5   7.990  -0.524   3.337
   23    HA   LEU   5           HA       LEU   5  10.000   1.455   2.791
   24    HB2  LEU   5           HB2      LEU   5   8.725   2.132   4.582
   25    HB3  LEU   5           HB1      LEU   5   8.515   0.487   5.183
   26    HG   LEU   5           HG       LEU   5  10.746   0.465   6.104
   27   HD11  LEU   5          HD11      LEU   5  11.696   3.088   5.835
   28   HD12  LEU   5          HD12      LEU   5  11.123   2.656   4.224
   29   HD13  LEU   5          HD13      LEU   5  12.333   1.656   5.027
   30   HD21  LEU   5          HD21      LEU   5   8.884   1.642   7.359
   31   HD22  LEU   5          HD22      LEU   5   9.535   3.166   6.753
   32   HD23  LEU   5          HD23      LEU   5  10.512   2.149   7.812
   33    H    GLN   6           HN       GLN   6  10.151  -1.452   4.879
   34    HA   GLN   6           HA       GLN   6  12.868  -1.336   5.497
   35    HB2  GLN   6           HB2      GLN   6  10.820  -3.442   5.408
   36    HB3  GLN   6           HB1      GLN   6  12.463  -4.046   5.187
   37    HG2  GLN   6           HG2      GLN   6  13.192  -2.977   7.240
   38    HG3  GLN   6           HG1      GLN   6  11.625  -2.191   7.434
   39   HE21  GLN   6          HE21      GLN   6  12.388  -3.758   9.554
   40   HE22  GLN   6          HE22      GLN   6  11.530  -5.223   9.570
   41    H    CGU   7           HN       GLA   7  11.399  -2.040   2.439
   42    HA   CGU   7           HA       GLA   7  13.795  -3.337   1.341
   43    HB2  CGU   7           HB2      GLA   7  12.511  -3.135  -0.833
   44    HB3  CGU   7           HB3      GLA   7  11.208  -2.383   0.087
   45    HG   CGU   7           HG       GLA   7  11.034  -4.391   1.499
   46    H    ASN   8           HN       ASN   8  12.709  -0.139   1.852
   47    HA   ASN   8           HA       ASN   8  14.781   0.861  -0.066
   48    HB2  ASN   8           HB2      ASN   8  12.019   1.858   0.556
   49    HB3  ASN   8           HB1      ASN   8  13.267   3.024   0.113
   50   HD21  ASN   8          HD21      ASN   8  11.926  -0.124  -1.050
   51   HD22  ASN   8          HD22      ASN   8  12.106   0.245  -2.697
   52    H    GLN   9           HN       GLN   9  15.276   0.108   2.655
   53    HA   GLN   9           HA       GLN   9  15.143   2.313   4.447
   54    HB2  GLN   9           HB2      GLN   9  16.465   1.041   5.892
   55    HB3  GLN   9           HB1      GLN   9  15.749  -0.206   4.871
   56    HG2  GLN   9           HG2      GLN   9  17.830   0.161   3.351
   57    HG3  GLN   9           HG1      GLN   9  18.536   0.935   4.769
   58   HE21  GLN   9          HE21      GLN   9  19.677  -1.457   3.795
   59   HE22  GLN   9          HE22      GLN   9  19.365  -2.718   4.902
   60    HA   HYP  10           HA       HYP  10  18.018   5.342   3.139
   61    HB2  HYP  10           HB2      HYP  10  19.717   5.137   5.465
   62    HB3  HYP  10           HB1      HYP  10  18.546   6.411   5.082
   63    HG   HYP  10           HG       HYP  10  18.330   4.620   7.139
   64   HD22  HYP  10          HD22      HYP  10  17.921   2.679   5.953
   65   HD23  HYP  10          HD21      HYP  10  16.248   3.286   6.029
   66    HD1  HYP  10           HD1      HYP  10  15.902   5.244   6.074
   67    H    CGU  11           HN       GLA  11  19.014   4.226   1.495
   68    HA   CGU  11           HA       GLA  11  21.413   3.705   0.841
   69    HB2  CGU  11           HB2      GLA  11  20.958   1.600   2.984
   70    HB3  CGU  11           HB3      GLA  11  22.131   2.923   3.058
   71    HG   CGU  11           HG       GLA  11  22.715   1.701   0.647
   72    H    LEU  12           HN       LEU  12  18.880   1.330   1.792
   73    HA   LEU  12           HA       LEU  12  19.230  -0.298  -0.548
   74    HB2  LEU  12           HB2      LEU  12  16.930   0.172   1.348
   75    HB3  LEU  12           HB1      LEU  12  16.696  -0.795  -0.112
   76    HG   LEU  12           HG       LEU  12  18.904  -1.328   1.891
   77   HD11  LEU  12          HD11      LEU  12  17.534  -2.772   3.059
   78   HD12  LEU  12          HD12      LEU  12  16.492  -3.078   1.669
   79   HD13  LEU  12          HD13      LEU  12  16.333  -1.573   2.577
   80   HD21  LEU  12          HD21      LEU  12  18.016  -3.604   0.391
   81   HD22  LEU  12          HD22      LEU  12  19.593  -2.817   0.344
   82   HD23  LEU  12          HD23      LEU  12  18.309  -2.283  -0.740
   83    H    ILE  13           HN       ILE  13  17.585   2.692   0.135
   84    HA   ILE  13           HA       ILE  13  16.084   2.877  -2.323
   85    HB   ILE  13           HB       ILE  13  15.955   4.182   0.004
   86   HG12  ILE  13          HG12      ILE  13  15.389   5.455  -2.691
   87   HG13  ILE  13          HG11      ILE  13  14.343   4.306  -1.851
   88   HG21  ILE  13          HG21      ILE  13  16.987   6.350  -0.084
   89   HG22  ILE  13          HG22      ILE  13  17.513   6.100  -1.748
   90   HG23  ILE  13          HG23      ILE  13  18.247   5.171  -0.441
   91   HD11  ILE  13          HD11      ILE  13  13.408   6.345  -1.200
   92   HD12  ILE  13          HD12      ILE  13  14.973   7.155  -1.139
   93   HD13  ILE  13          HD13      ILE  13  14.518   6.021   0.132
   94    H    ARG  14           HN       ARG  14  19.311   3.902  -1.268
   95    HA   ARG  14           HA       ARG  14  19.811   5.270  -3.840
   96    HB2  ARG  14           HB2      ARG  14  20.728   6.003  -1.505
   97    HB3  ARG  14           HB1      ARG  14  21.889   4.692  -1.725
   98    HG2  ARG  14           HG2      ARG  14  23.132   6.169  -2.899
   99    HG3  ARG  14           HG1      ARG  14  21.924   6.007  -4.174
  100    HD2  ARG  14           HD2      ARG  14  22.202   8.367  -3.660
  101    HD3  ARG  14           HD1      ARG  14  20.614   7.848  -3.099
  102    HE   ARG  14           HE       ARG  14  22.390   7.532  -0.926
  103   HH11  ARG  14          HH11      ARG  14  19.909   9.175  -0.774
  104   HH12  ARG  14          HH12      ARG  14  20.532  10.771  -0.532
  105   HH21  ARG  14          HH21      ARG  14  23.744   9.958  -1.561
  106   HH22  ARG  14          HH22      ARG  14  22.706  11.215  -0.977
  107    H    CGU  15           HN       GLA  15  21.346   2.674  -1.940
  108    HA   CGU  15           HA       GLA  15  22.867   1.576  -4.025
  109    HB2  CGU  15           HB2      GLA  15  21.647  -0.414  -2.266
  110    HB3  CGU  15           HB3      GLA  15  22.248   0.972  -1.359
  111    HG   CGU  15           HG       GLA  15  24.060  -0.073  -3.458
  112    H    LYS  16           HN       LYS  16  19.514   1.917  -3.583
  113    HA   LYS  16           HA       LYS  16  18.326  -0.361  -4.672
  114    HB2  LYS  16           HB2      LYS  16  17.309   2.007  -4.113
  115    HB3  LYS  16           HB1      LYS  16  17.563   2.305  -5.830
  116    HG2  LYS  16           HG2      LYS  16  15.382   1.423  -5.746
  117    HG3  LYS  16           HG1      LYS  16  16.370   0.028  -6.178
  118    HD2  LYS  16           HD2      LYS  16  16.272  -0.871  -4.002
  119    HD3  LYS  16           HD1      LYS  16  15.780   0.666  -3.293
  120    HE2  LYS  16           HE2      LYS  16  13.586   0.497  -4.141
  121    HE3  LYS  16           HE1      LYS  16  14.043  -0.739  -5.318
  122    HZ1  LYS  16           HZ1      LYS  16  12.867  -1.338  -3.048
  123    HZ2  LYS  16           HZ2      LYS  16  14.474  -1.345  -2.494
  124    HZ3  LYS  16           HZ3      LYS  16  14.006  -2.370  -3.766
  125    H    SER  17           HN       SER  17  19.788   2.308  -6.554
  126    HA   SER  17           HA       SER  17  19.616   0.714  -9.023
  127    HB2  SER  17           HB2      SER  17  19.611   3.414  -8.537
  128    HB3  SER  17           HB1      SER  17  21.282   3.150  -9.028
  129    HG   SER  17           HG       SER  17  20.493   3.119 -10.972
  130    H    ASN  18           HN       ASN  18  21.970   1.523  -6.563
  131    HA   ASN  18           HA       ASN  18  24.183   0.807  -6.255
  132    HB2  ASN  18           HB2      ASN  18  22.881  -1.408  -6.682
  133    HB3  ASN  18           HB1      ASN  18  23.638  -1.363  -8.275
  134   HD21  ASN  18          HD21      ASN  18  24.371  -3.474  -6.634
  135   HD22  ASN  18          HD22      ASN  18  25.952  -3.241  -6.037
  136    HN1  NH2  19           H1       NH2  19  23.341   2.521  -8.738
  137    HN2  NH2  19           H2       NH2  19  24.715   2.436  -9.746
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   3.121  -3.795   3.237
    2    H2   GLY   1           HT2      GLY   1   3.822  -3.233   1.794
    3    H3   GLY   1           HT3      GLY   1   2.132  -3.337   1.936
    4    HA2  GLY   1           HA1      GLY   1   2.944  -1.041   2.137
    5    HA3  GLY   1           HA2      GLY   1   2.095  -1.606   3.580
    6    H    GLU   2           HN       GLU   2   3.676  -2.798   5.176
    7    HA   GLU   2           HA       GLU   2   5.688  -0.882   5.954
    8    HB2  GLU   2           HB2      GLU   2   6.203  -2.458   7.752
    9    HB3  GLU   2           HB1      GLU   2   4.454  -2.325   7.571
   10    HG2  GLU   2           HG2      GLU   2   4.675  -4.356   5.974
   11    HG3  GLU   2           HG1      GLU   2   6.266  -4.574   6.705
   12    H    CGU   3           HN       GLA   3   5.704  -3.720   3.952
   13    HA   CGU   3           HA       GLA   3   8.508  -4.342   4.145
   14    HB2  CGU   3           HB2      GLA   3   6.795  -4.798   1.699
   15    HB3  CGU   3           HB3      GLA   3   6.624  -5.786   3.154
   16    HG   CGU   3           HG       GLA   3   9.375  -5.377   2.049
   17    H    CGU   4           HN       GLA   4   6.650  -2.438   1.751
   18    HA   CGU   4           HA       GLA   4   8.735  -1.682   0.051
   19    HB2  CGU   4           HB2      GLA   4   7.325   0.627   0.116
   20    HB3  CGU   4           HB3      GLA   4   6.158  -0.454   0.879
   21    HG   CGU   4           HG       GLA   4   6.674  -2.056  -1.094
   22    H    LEU   5           HN       LEU   5   8.029  -0.516   3.299
   23    HA   LEU   5           HA       LEU   5   9.776   1.776   3.201
   24    HB2  LEU   5           HB2      LEU   5   8.347   1.929   5.012
   25    HB3  LEU   5           HB1      LEU   5   8.394   0.193   5.322
   26    HG   LEU   5           HG       LEU   5  10.582   0.355   6.314
   27   HD11  LEU   5          HD11      LEU   5  11.226   3.029   6.532
   28   HD12  LEU   5          HD12      LEU   5  10.596   2.924   4.888
   29   HD13  LEU   5          HD13      LEU   5  11.949   1.907   5.380
   30   HD21  LEU   5          HD21      LEU   5  10.051   1.591   8.273
   31   HD22  LEU   5          HD22      LEU   5   8.489   1.099   7.616
   32   HD23  LEU   5          HD23      LEU   5   9.070   2.747   7.373
   33    H    GLN   6           HN       GLN   6  10.215  -1.366   4.861
   34    HA   GLN   6           HA       GLN   6  12.943  -1.024   5.452
   35    HB2  GLN   6           HB2      GLN   6  11.792  -2.851   6.473
   36    HB3  GLN   6           HB1      GLN   6  11.312  -3.513   4.911
   37    HG2  GLN   6           HG2      GLN   6  13.282  -4.594   4.646
   38    HG3  GLN   6           HG1      GLN   6  14.215  -3.192   5.174
   39   HE21  GLN   6          HE21      GLN   6  15.384  -3.661   7.033
   40   HE22  GLN   6          HE22      GLN   6  14.858  -4.670   8.292
   41    H    CGU   7           HN       GLA   7  11.385  -2.087   2.470
   42    HA   CGU   7           HA       GLA   7  13.793  -2.994   1.168
   43    HB2  CGU   7           HB2      GLA   7  12.434  -2.728  -0.929
   44    HB3  CGU   7           HB3      GLA   7  11.152  -2.014   0.052
   45    HG   CGU   7           HG       GLA   7  10.999  -4.070   1.381
   46    H    ASN   8           HN       ASN   8  12.560   0.126   1.897
   47    HA   ASN   8           HA       ASN   8  14.524   1.336  -0.012
   48    HB2  ASN   8           HB2      ASN   8  11.886   2.396   1.035
   49    HB3  ASN   8           HB1      ASN   8  13.071   3.415   0.218
   50   HD21  ASN   8          HD21      ASN   8  12.287   3.730  -1.879
   51   HD22  ASN   8          HD22      ASN   8  11.710   2.494  -2.891
   52    H    GLN   9           HN       GLN   9  15.220   0.353   2.591
   53    HA   GLN   9           HA       GLN   9  15.192   2.447   4.544
   54    HB2  GLN   9           HB2      GLN   9  16.321  -0.213   4.289
   55    HB3  GLN   9           HB1      GLN   9  17.461   0.891   5.057
   56    HG2  GLN   9           HG2      GLN   9  16.007   1.362   6.836
   57    HG3  GLN   9           HG1      GLN   9  14.583   0.845   5.933
   58   HE21  GLN   9          HE21      GLN   9  17.725  -0.837   6.491
   59   HE22  GLN   9          HE22      GLN   9  17.022  -2.226   7.189
   60    HA   HYP  10           HA       HYP  10  18.085   5.427   3.123
   61    HB2  HYP  10           HB2      HYP  10  19.801   5.232   5.439
   62    HB3  HYP  10           HB1      HYP  10  18.649   6.519   5.046
   63    HG   HYP  10           HG       HYP  10  18.423   4.767   7.135
   64   HD22  HYP  10          HD22      HYP  10  17.965   2.813   5.986
   65   HD23  HYP  10          HD21      HYP  10  16.305   3.456   6.070
   66    HD1  HYP  10           HD1      HYP  10  16.706   5.962   7.386
   67    H    CGU  11           HN       GLA  11  19.046   4.244   1.496
   68    HA   CGU  11           HA       GLA  11  21.407   3.656   0.806
   69    HB2  CGU  11           HB2      GLA  11  21.009   1.642   3.044
   70    HB3  CGU  11           HB3      GLA  11  22.167   2.982   3.053
   71    HG   CGU  11           HG       GLA  11  22.715   1.670   0.671
   72    H    LEU  12           HN       LEU  12  18.935   1.300   1.959
   73    HA   LEU  12           HA       LEU  12  19.206  -0.448  -0.291
   74    HB2  LEU  12           HB2      LEU  12  17.022   0.138   1.688
   75    HB3  LEU  12           HB1      LEU  12  16.630  -0.817   0.254
   76    HG   LEU  12           HG       LEU  12  18.880  -1.443   2.190
   77   HD11  LEU  12          HD11      LEU  12  17.139  -3.530   2.334
   78   HD12  LEU  12          HD12      LEU  12  16.016  -2.194   2.082
   79   HD13  LEU  12          HD13      LEU  12  17.121  -2.170   3.456
   80   HD21  LEU  12          HD21      LEU  12  18.121  -2.406  -0.474
   81   HD22  LEU  12          HD22      LEU  12  18.252  -3.704   0.713
   82   HD23  LEU  12          HD23      LEU  12  19.627  -2.639   0.416
   83    H    ILE  13           HN       ILE  13  17.576   2.580   0.231
   84    HA   ILE  13           HA       ILE  13  16.044   2.603  -2.223
   85    HB   ILE  13           HB       ILE  13  15.933   4.007   0.069
   86   HG12  ILE  13          HG12      ILE  13  15.176   5.202  -2.611
   87   HG13  ILE  13          HG11      ILE  13  14.275   3.910  -1.809
   88   HG21  ILE  13          HG21      ILE  13  18.129   5.107  -0.515
   89   HG22  ILE  13          HG22      ILE  13  16.809   6.233  -0.209
   90   HG23  ILE  13          HG23      ILE  13  17.308   5.891  -1.864
   91   HD11  ILE  13          HD11      ILE  13  14.552   6.788  -1.036
   92   HD12  ILE  13          HD12      ILE  13  14.371   5.592   0.248
   93   HD13  ILE  13          HD13      ILE  13  13.127   5.749  -0.992
   94    H    ARG  14           HN       ARG  14  19.245   3.773  -1.232
   95    HA   ARG  14           HA       ARG  14  19.682   5.057  -3.853
   96    HB2  ARG  14           HB2      ARG  14  20.675   6.212  -1.981
   97    HB3  ARG  14           HB1      ARG  14  21.417   4.725  -1.385
   98    HG2  ARG  14           HG2      ARG  14  23.081   4.745  -2.989
   99    HG3  ARG  14           HG1      ARG  14  22.081   5.597  -4.165
  100    HD2  ARG  14           HD2      ARG  14  22.798   7.053  -1.660
  101    HD3  ARG  14           HD1      ARG  14  24.066   6.830  -2.863
  102    HE   ARG  14           HE       ARG  14  21.457   8.153  -3.497
  103   HH11  ARG  14          HH21      ARG  14  24.511   7.249  -4.621
  104   HH12  ARG  14          HH22      ARG  14  24.875   8.773  -5.358
  105   HH21  ARG  14          HH11      ARG  14  22.071  10.362  -4.079
  106   HH22  ARG  14          HH12      ARG  14  23.494  10.535  -5.052
  107    H    CGU  15           HN       GLA  15  21.313   2.550  -1.897
  108    HA   CGU  15           HA       GLA  15  22.843   1.434  -3.956
  109    HB2  CGU  15           HB2      GLA  15  21.667  -0.564  -2.199
  110    HB3  CGU  15           HB3      GLA  15  22.174   0.853  -1.283
  111    HG   CGU  15           HG       GLA  15  24.049  -0.227  -3.338
  112    H    LYS  16           HN       LYS  16  19.469   1.702  -3.498
  113    HA   LYS  16           HA       LYS  16  18.342  -0.599  -4.594
  114    HB2  LYS  16           HB2      LYS  16  17.245   1.690  -3.966
  115    HB3  LYS  16           HB1      LYS  16  17.512   2.092  -5.662
  116    HG2  LYS  16           HG2      LYS  16  15.332   1.154  -5.598
  117    HG3  LYS  16           HG1      LYS  16  16.363  -0.148  -6.195
  118    HD2  LYS  16           HD2      LYS  16  16.313  -1.299  -4.156
  119    HD3  LYS  16           HD1      LYS  16  15.868   0.143  -3.244
  120    HE2  LYS  16           HE2      LYS  16  13.637  -0.042  -3.766
  121    HE3  LYS  16           HE1      LYS  16  13.960  -0.763  -5.346
  122    HZ1  LYS  16           HZ1      LYS  16  14.623  -2.809  -4.205
  123    HZ2  LYS  16           HZ2      LYS  16  13.011  -2.392  -3.871
  124    HZ3  LYS  16           HZ3      LYS  16  14.222  -2.112  -2.713
  125    H    SER  17           HN       SER  17  19.651   2.146  -6.489
  126    HA   SER  17           HA       SER  17  19.480   0.574  -8.963
  127    HB2  SER  17           HB2      SER  17  19.266   3.193  -8.604
  128    HB3  SER  17           HB1      SER  17  21.018   3.139  -8.770
  129    HG   SER  17           HG       SER  17  19.211   1.922 -10.588
  130    H    ASN  18           HN       ASN  18  21.893   1.396  -6.563
  131    HA   ASN  18           HA       ASN  18  24.060   0.536  -6.268
  132    HB2  ASN  18           HB2      ASN  18  22.696  -1.477  -7.589
  133    HB3  ASN  18           HB1      ASN  18  24.076  -1.186  -8.649
  134   HD21  ASN  18          HD21      ASN  18  24.801  -3.409  -7.884
  135   HD22  ASN  18          HD22      ASN  18  25.634  -3.522  -6.400
  136    HN1  NH2  19           H1       NH2  19  26.167   1.093  -7.123
  137    HN2  NH2  19           H2       NH2  19  26.349   1.941  -8.592
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   2.414  -1.719   1.235
    2    H2   GLY   1           HT2      GLY   1   2.072  -0.478   2.343
    3    H3   GLY   1           HT3      GLY   1   0.897  -1.653   1.991
    4    HA2  GLY   1           HA1      GLY   1   1.681  -2.408   3.999
    5    HA3  GLY   1           HA2      GLY   1   2.667  -3.315   2.846
    6    H    GLU   2           HN       GLU   2   3.402  -2.541   5.576
    7    HA   GLU   2           HA       GLU   2   5.303  -0.336   5.362
    8    HB2  GLU   2           HB2      GLU   2   5.925  -0.925   7.644
    9    HB3  GLU   2           HB1      GLU   2   4.167  -0.954   7.503
   10    HG2  GLU   2           HG2      GLU   2   4.491  -3.481   6.945
   11    HG3  GLU   2           HG1      GLU   2   6.080  -3.270   7.682
   12    H    CGU   3           HN       GLA   3   5.330  -3.683   4.621
   13    HA   CGU   3           HA       GLA   3   8.089  -4.288   5.071
   14    HB2  CGU   3           HB2      GLA   3   6.173  -5.383   2.992
   15    HB3  CGU   3           HB3      GLA   3   6.449  -6.046   4.606
   16    HG   CGU   3           HG       GLA   3   8.609  -5.757   2.493
   17    H    CGU   4           HN       GLA   4   6.396  -2.851   2.295
   18    HA   CGU   4           HA       GLA   4   8.606  -2.833   0.496
   19    HB2  CGU   4           HB2      GLA   4   7.379  -0.858  -0.547
   20    HB3  CGU   4           HB3      GLA   4   6.207  -1.007   0.763
   21    HG   CGU   4           HG       GLA   4   6.464  -3.615  -0.143
   22    H    LEU   5           HN       LEU   5   7.761  -0.715   3.176
   23    HA   LEU   5           HA       LEU   5   9.450   1.484   2.541
   24    HB2  LEU   5           HB2      LEU   5   8.155   2.029   4.356
   25    HB3  LEU   5           HB1      LEU   5   8.185   0.386   4.997
   26    HG   LEU   5           HG       LEU   5  10.418   0.696   5.866
   27   HD11  LEU   5          HD11      LEU   5  11.799   2.077   4.738
   28   HD12  LEU   5          HD12      LEU   5  10.969   3.427   5.511
   29   HD13  LEU   5          HD13      LEU   5  10.444   2.860   3.926
   30   HD21  LEU   5          HD21      LEU   5   9.258   3.318   6.649
   31   HD22  LEU   5          HD22      LEU   5   9.789   1.976   7.661
   32   HD23  LEU   5          HD23      LEU   5   8.214   1.913   6.870
   33    H    GLN   6           HN       GLN   6  10.123  -1.297   4.694
   34    HA   GLN   6           HA       GLN   6  12.787  -0.760   5.266
   35    HB2  GLN   6           HB2      GLN   6  11.287  -3.336   4.858
   36    HB3  GLN   6           HB1      GLN   6  13.024  -3.373   5.161
   37    HG2  GLN   6           HG2      GLN   6  12.599  -1.911   7.188
   38    HG3  GLN   6           HG1      GLN   6  10.875  -2.188   6.934
   39   HE21  GLN   6          HE21      GLN   6  11.416  -5.001   5.932
   40   HE22  GLN   6          HE22      GLN   6  11.756  -5.904   7.327
   41    H    CGU   7           HN       GLA   7  11.459  -2.253   2.327
   42    HA   CGU   7           HA       GLA   7  13.913  -2.958   1.089
   43    HB2  CGU   7           HB2      GLA   7  12.625  -2.701  -1.062
   44    HB3  CGU   7           HB3      GLA   7  11.290  -2.037  -0.119
   45    HG   CGU   7           HG       GLA   7  11.420  -4.179   1.286
   46    H    ASN   8           HN       ASN   8  12.724   0.108   1.913
   47    HA   ASN   8           HA       ASN   8  14.629   1.399  -0.004
   48    HB2  ASN   8           HB2      ASN   8  12.004   2.389   1.135
   49    HB3  ASN   8           HB1      ASN   8  13.172   3.467   0.373
   50   HD21  ASN   8          HD21      ASN   8  10.731   3.300  -0.892
   51   HD22  ASN   8          HD22      ASN   8  10.849   2.377  -2.312
   52    H    GLN   9           HN       GLN   9  15.335   0.304   2.571
   53    HA   GLN   9           HA       GLN   9  15.385   2.312   4.603
   54    HB2  GLN   9           HB2      GLN   9  16.731  -0.280   4.096
   55    HB3  GLN   9           HB1      GLN   9  17.553   0.811   5.208
   56    HG2  GLN   9           HG2      GLN   9  15.895   0.669   6.792
   57    HG3  GLN   9           HG1      GLN   9  14.620   0.482   5.587
   58   HE21  GLN   9          HE21      GLN   9  15.606  -1.736   4.127
   59   HE22  GLN   9          HE22      GLN   9  15.649  -3.101   5.151
   60    HA   HYP  10           HA       HYP  10  18.250   5.323   3.159
   61    HB2  HYP  10           HB2      HYP  10  19.996   5.126   5.452
   62    HB3  HYP  10           HB1      HYP  10  18.839   6.414   5.074
   63    HG   HYP  10           HG       HYP  10  18.637   4.663   7.163
   64   HD22  HYP  10          HD22      HYP  10  18.183   2.710   6.016
   65   HD23  HYP  10          HD21      HYP  10  16.518   3.333   6.126
   66    HD1  HYP  10           HD1      HYP  10  16.973   5.924   7.417
   67    H    CGU  11           HN       GLA  11  19.172   4.140   1.518
   68    HA   CGU  11           HA       GLA  11  21.557   3.555   0.826
   69    HB2  CGU  11           HB2      GLA  11  21.067   1.514   3.024
   70    HB3  CGU  11           HB3      GLA  11  22.325   2.761   3.008
   71    HG   CGU  11           HG       GLA  11  22.822   1.506   0.645
   72    H    LEU  12           HN       LEU  12  19.022   1.233   1.886
   73    HA   LEU  12           HA       LEU  12  19.223  -0.430  -0.433
   74    HB2  LEU  12           HB2      LEU  12  17.020   0.151   1.546
   75    HB3  LEU  12           HB1      LEU  12  16.701  -0.856   0.128
   76    HG   LEU  12           HG       LEU  12  18.937  -1.356   2.117
   77   HD11  LEU  12          HD11      LEU  12  17.022  -3.442   2.137
   78   HD12  LEU  12          HD12      LEU  12  16.113  -1.936   2.257
   79   HD13  LEU  12          HD13      LEU  12  17.374  -2.299   3.434
   80   HD21  LEU  12          HD21      LEU  12  18.289  -3.684   0.702
   81   HD22  LEU  12          HD22      LEU  12  19.708  -2.669   0.447
   82   HD23  LEU  12          HD23      LEU  12  18.254  -2.406  -0.516
   83    H    ILE  13           HN       ILE  13  17.700   2.628   0.230
   84    HA   ILE  13           HA       ILE  13  16.137   2.770  -2.210
   85    HB   ILE  13           HB       ILE  13  16.060   4.096   0.133
   86   HG12  ILE  13          HG12      ILE  13  15.327   5.372  -2.519
   87   HG13  ILE  13          HG11      ILE  13  14.394   4.095  -1.730
   88   HG21  ILE  13          HG21      ILE  13  16.993   6.307  -0.066
   89   HG22  ILE  13          HG22      ILE  13  17.468   6.019  -1.739
   90   HG23  ILE  13          HG23      ILE  13  18.283   5.164  -0.430
   91   HD11  ILE  13          HD11      ILE  13  14.809   6.943  -0.864
   92   HD12  ILE  13          HD12      ILE  13  14.465   5.705   0.344
   93   HD13  ILE  13          HD13      ILE  13  13.311   6.016  -0.952
   94    H    ARG  14           HN       ARG  14  19.368   3.794  -1.180
   95    HA   ARG  14           HA       ARG  14  19.854   5.175  -3.747
   96    HB2  ARG  14           HB2      ARG  14  21.169   5.021  -1.105
   97    HB3  ARG  14           HB1      ARG  14  22.291   5.013  -2.466
   98    HG2  ARG  14           HG2      ARG  14  21.676   7.132  -3.166
   99    HG3  ARG  14           HG1      ARG  14  20.048   6.994  -2.501
  100    HD2  ARG  14           HD2      ARG  14  21.913   8.499  -1.319
  101    HD3  ARG  14           HD1      ARG  14  20.713   7.614  -0.379
  102    HE   ARG  14           HE       ARG  14  23.082   6.016  -0.887
  103   HH11  ARG  14          HH21      ARG  14  21.573   8.410   1.080
  104   HH12  ARG  14          HH22      ARG  14  22.620   8.149   2.434
  105   HH21  ARG  14          HH11      ARG  14  24.499   5.704   0.850
  106   HH22  ARG  14          HH12      ARG  14  24.274   6.615   2.304
  107    H    CGU  15           HN       GLA  15  21.404   2.553  -1.882
  108    HA   CGU  15           HA       GLA  15  22.908   1.471  -3.977
  109    HB2  CGU  15           HB2      GLA  15  21.639  -0.539  -2.281
  110    HB3  CGU  15           HB3      GLA  15  22.249   0.815  -1.334
  111    HG   CGU  15           HG       GLA  15  24.028  -0.275  -3.457
  112    H    LYS  16           HN       LYS  16  19.544   1.820  -3.519
  113    HA   LYS  16           HA       LYS  16  18.359  -0.411  -4.712
  114    HB2  LYS  16           HB2      LYS  16  17.338   1.903  -3.989
  115    HB3  LYS  16           HB1      LYS  16  17.573   2.323  -5.684
  116    HG2  LYS  16           HG2      LYS  16  15.403   1.427  -5.667
  117    HG3  LYS  16           HG1      LYS  16  16.389   0.052  -6.164
  118    HD2  LYS  16           HD2      LYS  16  16.284  -0.951  -4.034
  119    HD3  LYS  16           HD1      LYS  16  15.786   0.551  -3.254
  120    HE2  LYS  16           HE2      LYS  16  13.611   0.456  -4.304
  121    HE3  LYS  16           HE1      LYS  16  14.097  -0.928  -5.290
  122    HZ1  LYS  16           HZ1      LYS  16  13.109  -0.882  -2.630
  123    HZ2  LYS  16           HZ2      LYS  16  14.630  -1.637  -2.682
  124    HZ3  LYS  16           HZ3      LYS  16  13.360  -2.208  -3.656
  125    H    SER  17           HN       SER  17  19.786   2.368  -6.451
  126    HA   SER  17           HA       SER  17  19.506   1.021  -9.030
  127    HB2  SER  17           HB2      SER  17  19.378   3.384  -9.150
  128    HB3  SER  17           HB1      SER  17  20.783   3.596  -8.110
  129    HG   SER  17           HG       SER  17  22.071   3.238  -9.761
  130    H    ASN  18           HN       ASN  18  22.079   1.573  -6.664
  131    HA   ASN  18           HA       ASN  18  24.300   0.783  -6.618
  132    HB2  ASN  18           HB2      ASN  18  23.013  -1.314  -6.275
  133    HB3  ASN  18           HB1      ASN  18  22.972  -1.558  -8.021
  134   HD21  ASN  18          HD21      ASN  18  25.169  -1.424  -5.209
  135   HD22  ASN  18          HD22      ASN  18  26.453  -2.254  -5.967
  136    HN1  NH2  19           H1       NH2  19  24.785   2.526  -8.352
  137    HN2  NH2  19           H2       NH2  19  25.322   1.979  -9.876
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   2.414  -4.504   0.012
    2    H2   GLY   1           HT2      GLY   1   4.041  -4.019   0.098
    3    H3   GLY   1           HT3      GLY   1   2.800  -2.882   0.325
    4    HA2  GLY   1           HA1      GLY   1   2.136  -3.891   2.372
    5    HA3  GLY   1           HA2      GLY   1   3.290  -5.204   2.110
    6    H    GLU   2           HN       GLU   2   3.880  -4.192   4.380
    7    HA   GLU   2           HA       GLU   2   5.256  -1.694   4.516
    8    HB2  GLU   2           HB2      GLU   2   6.295  -2.631   6.579
    9    HB3  GLU   2           HB1      GLU   2   4.549  -2.881   6.538
   10    HG2  GLU   2           HG2      GLU   2   5.247  -5.154   5.353
   11    HG3  GLU   2           HG1      GLU   2   6.758  -4.874   6.217
   12    H    CGU   3           HN       GLA   3   6.218  -4.807   3.274
   13    HA   CGU   3           HA       GLA   3   9.026  -4.634   3.471
   14    HB2  CGU   3           HB2      GLA   3   8.995  -5.922   1.250
   15    HB3  CGU   3           HB3      GLA   3   7.235  -5.794   1.326
   16    HG   CGU   3           HG       GLA   3   7.413  -6.793   3.675
   17    H    CGU   4           HN       GLA   4   6.825  -3.160   1.098
   18    HA   CGU   4           HA       GLA   4   8.735  -2.087  -0.678
   19    HB2  CGU   4           HB2      GLA   4   6.967  -0.159  -0.855
   20    HB3  CGU   4           HB3      GLA   4   6.010  -1.178   0.220
   21    HG   CGU   4           HG       GLA   4   6.743  -3.050  -1.559
   22    H    LEU   5           HN       LEU   5   7.812  -1.073   2.551
   23    HA   LEU   5           HA       LEU   5   9.182   1.497   2.394
   24    HB2  LEU   5           HB2      LEU   5   7.565   1.579   4.050
   25    HB3  LEU   5           HB1      LEU   5   7.806  -0.107   4.508
   26    HG   LEU   5           HG       LEU   5   9.849   0.422   5.672
   27   HD11  LEU   5          HD11      LEU   5   9.672   2.860   4.038
   28   HD12  LEU   5          HD12      LEU   5  11.090   2.068   4.726
   29   HD13  LEU   5          HD13      LEU   5  10.125   3.165   5.713
   30   HD21  LEU   5          HD21      LEU   5   7.374   1.259   6.485
   31   HD22  LEU   5          HD22      LEU   5   8.295   2.759   6.600
   32   HD23  LEU   5          HD23      LEU   5   8.820   1.331   7.492
   33    H    GLN   6           HN       GLN   6   9.824  -1.448   4.325
   34    HA   GLN   6           HA       GLN   6  12.457  -0.694   5.064
   35    HB2  GLN   6           HB2      GLN   6  10.788  -3.076   5.237
   36    HB3  GLN   6           HB1      GLN   6  12.475  -3.489   4.931
   37    HG2  GLN   6           HG2      GLN   6  13.081  -1.883   6.813
   38    HG3  GLN   6           HG1      GLN   6  11.362  -1.834   7.205
   39   HE21  GLN   6          HE21      GLN   6  13.306  -2.918   9.031
   40   HE22  GLN   6          HE22      GLN   6  13.015  -4.584   9.181
   41    H    CGU   7           HN       GLA   7  11.210  -2.298   2.185
   42    HA   CGU   7           HA       GLA   7  13.659  -3.275   1.122
   43    HB2  CGU   7           HB2      GLA   7  12.451  -2.842  -1.134
   44    HB3  CGU   7           HB3      GLA   7  11.091  -2.320  -0.140
   45    HG   CGU   7           HG       GLA   7  11.286  -4.535   1.091
   46    H    ASN   8           HN       ASN   8  12.500  -0.062   1.544
   47    HA   ASN   8           HA       ASN   8  14.684   0.979  -0.217
   48    HB2  ASN   8           HB2      ASN   8  12.038   2.182   0.629
   49    HB3  ASN   8           HB1      ASN   8  13.332   3.149  -0.080
   50   HD21  ASN   8          HD21      ASN   8  11.981  -0.120  -0.836
   51   HD22  ASN   8          HD22      ASN   8  11.762   0.198  -2.489
   52    H    GLN   9           HN       GLN   9  15.169   0.019   2.442
   53    HA   GLN   9           HA       GLN   9  15.115   2.046   4.419
   54    HB2  GLN   9           HB2      GLN   9  16.329  -0.557   4.078
   55    HB3  GLN   9           HB1      GLN   9  17.448   0.549   4.875
   56    HG2  GLN   9           HG2      GLN   9  15.869   1.031   6.615
   57    HG3  GLN   9           HG1      GLN   9  14.568   0.216   5.746
   58   HE21  GLN   9          HE21      GLN   9  14.968  -2.223   5.346
   59   HE22  GLN   9          HE22      GLN   9  15.784  -3.087   6.569
   60    HA   HYP  10           HA       HYP  10  17.905   5.195   3.124
   61    HB2  HYP  10           HB2      HYP  10  19.557   5.034   5.488
   62    HB3  HYP  10           HB1      HYP  10  18.363   6.278   5.080
   63    HG   HYP  10           HG       HYP  10  18.155   4.476   7.129
   64   HD22  HYP  10          HD22      HYP  10  17.794   2.527   5.945
   65   HD23  HYP  10          HD21      HYP  10  16.112   3.115   5.975
   66    HD1  HYP  10           HD1      HYP  10  16.810   6.317   6.741
   67    H    CGU  11           HN       GLA  11  18.993   4.120   1.508
   68    HA   CGU  11           HA       GLA  11  21.399   3.655   0.892
   69    HB2  CGU  11           HB2      GLA  11  21.017   1.559   3.058
   70    HB3  CGU  11           HB3      GLA  11  22.093   2.961   3.163
   71    HG   CGU  11           HG       GLA  11  22.559   1.401   0.745
   72    H    LEU  12           HN       LEU  12  18.938   1.230   1.873
   73    HA   LEU  12           HA       LEU  12  19.379  -0.457  -0.414
   74    HB2  LEU  12           HB2      LEU  12  16.923   0.008   1.311
   75    HB3  LEU  12           HB1      LEU  12  17.002  -1.224   0.046
   76    HG   LEU  12           HG       LEU  12  18.834  -1.025   2.457
   77   HD11  LEU  12          HD11      LEU  12  17.536  -2.604   3.464
   78   HD12  LEU  12          HD12      LEU  12  17.211  -3.441   1.946
   79   HD13  LEU  12          HD13      LEU  12  16.285  -2.003   2.376
   80   HD21  LEU  12          HD21      LEU  12  18.903  -2.606  -0.073
   81   HD22  LEU  12          HD22      LEU  12  19.326  -3.455   1.415
   82   HD23  LEU  12          HD23      LEU  12  20.237  -2.025   0.925
   83    H    ILE  13           HN       ILE  13  17.589   2.469   0.174
   84    HA   ILE  13           HA       ILE  13  16.112   2.503  -2.310
   85    HB   ILE  13           HB       ILE  13  15.837   3.805   0.006
   86   HG12  ILE  13          HG12      ILE  13  15.220   5.110  -2.658
   87   HG13  ILE  13          HG11      ILE  13  14.296   3.775  -1.958
   88   HG21  ILE  13          HG21      ILE  13  17.256   5.836  -1.734
   89   HG22  ILE  13          HG22      ILE  13  18.054   4.970  -0.422
   90   HG23  ILE  13          HG23      ILE  13  16.700   6.042  -0.072
   91   HD11  ILE  13          HD11      ILE  13  13.062   5.420  -0.983
   92   HD12  ILE  13          HD12      ILE  13  14.323   6.631  -1.216
   93   HD13  ILE  13          HD13      ILE  13  14.408   5.521   0.150
   94    H    ARG  14           HN       ARG  14  19.247   3.750  -1.212
   95    HA   ARG  14           HA       ARG  14  19.654   5.177  -3.765
   96    HB2  ARG  14           HB2      ARG  14  20.926   5.140  -1.111
   97    HB3  ARG  14           HB1      ARG  14  22.089   5.161  -2.439
   98    HG2  ARG  14           HG2      ARG  14  20.872   7.093  -3.435
   99    HG3  ARG  14           HG1      ARG  14  19.797   7.105  -2.036
  100    HD2  ARG  14           HD2      ARG  14  21.685   7.530  -0.545
  101    HD3  ARG  14           HD1      ARG  14  22.808   7.427  -1.901
  102    HE   ARG  14           HE       ARG  14  21.763   9.823  -1.207
  103   HH11  ARG  14          HH11      ARG  14  19.298   8.845  -2.781
  104   HH12  ARG  14          HH12      ARG  14  19.594   9.579  -4.321
  105   HH21  ARG  14          HH21      ARG  14  22.922  10.280  -3.644
  106   HH22  ARG  14          HH22      ARG  14  21.645  10.392  -4.808
  107    H    CGU  15           HN       GLA  15  21.389   2.670  -1.908
  108    HA   CGU  15           HA       GLA  15  22.969   1.718  -4.019
  109    HB2  CGU  15           HB2      GLA  15  21.898  -0.386  -2.302
  110    HB3  CGU  15           HB3      GLA  15  22.390   1.022  -1.368
  111    HG   CGU  15           HG       GLA  15  24.277   0.140  -3.480
  112    H    LYS  16           HN       LYS  16  19.598   1.812  -3.549
  113    HA   LYS  16           HA       LYS  16  18.562  -0.511  -4.688
  114    HB2  LYS  16           HB2      LYS  16  17.380   1.735  -4.041
  115    HB3  LYS  16           HB1      LYS  16  17.633   2.155  -5.733
  116    HG2  LYS  16           HG2      LYS  16  15.506   1.130  -5.719
  117    HG3  LYS  16           HG1      LYS  16  16.591  -0.156  -6.250
  118    HD2  LYS  16           HD2      LYS  16  16.540  -1.237  -4.169
  119    HD3  LYS  16           HD1      LYS  16  15.990   0.211  -3.325
  120    HE2  LYS  16           HE2      LYS  16  13.791  -0.043  -4.026
  121    HE3  LYS  16           HE1      LYS  16  14.245  -0.969  -5.459
  122    HZ1  LYS  16           HZ1      LYS  16  14.218  -1.885  -2.641
  123    HZ2  LYS  16           HZ2      LYS  16  14.981  -2.753  -3.887
  124    HZ3  LYS  16           HZ3      LYS  16  13.304  -2.485  -3.938
  125    H    SER  17           HN       SER  17  19.929   2.268  -6.463
  126    HA   SER  17           HA       SER  17  19.769   0.776  -9.000
  127    HB2  SER  17           HB2      SER  17  20.020   3.542  -8.211
  128    HB3  SER  17           HB1      SER  17  21.312   3.125  -9.333
  129    HG   SER  17           HG       SER  17  18.543   3.154  -9.689
  130    H    ASN  18           HN       ASN  18  22.209   1.821  -6.658
  131    HA   ASN  18           HA       ASN  18  24.411   0.807  -8.314
  132    HB2  ASN  18           HB2      ASN  18  24.332   2.719  -6.409
  133    HB3  ASN  18           HB1      ASN  18  24.826   1.345  -5.419
  134   HD21  ASN  18          HD21      ASN  18  25.962   3.719  -7.627
  135   HD22  ASN  18          HD22      ASN  18  27.513   3.059  -7.888
  136    HN1  NH2  19           H1       NH2  19  22.746  -1.340  -8.072
  137    HN2  NH2  19           H2       NH2  19  23.343  -2.466  -6.938
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   1.485  -2.282   6.054
    2    H2   GLY   1           HT2      GLY   1   2.851  -3.280   6.215
    3    H3   GLY   1           HT3      GLY   1   1.466  -3.852   5.413
    4    HA2  GLY   1           HA1      GLY   1   2.685  -3.310   3.598
    5    HA3  GLY   1           HA2      GLY   1   1.917  -1.749   3.910
    6    H    GLU   2           HN       GLU   2   3.982  -2.439   6.442
    7    HA   GLU   2           HA       GLU   2   5.784  -0.319   5.831
    8    HB2  GLU   2           HB2      GLU   2   7.168  -1.267   7.692
    9    HB3  GLU   2           HB1      GLU   2   5.470  -1.067   8.127
   10    HG2  GLU   2           HG2      GLU   2   5.338  -3.567   7.168
   11    HG3  GLU   2           HG1      GLU   2   7.028  -3.569   7.675
   12    H    CGU   3           HN       GLA   3   5.783  -3.682   4.920
   13    HA   CGU   3           HA       GLA   3   8.462  -4.238   4.423
   14    HB2  CGU   3           HB2      GLA   3   6.252  -4.813   2.434
   15    HB3  CGU   3           HB3      GLA   3   6.479  -5.734   3.924
   16    HG   CGU   3           HG       GLA   3   8.767  -5.338   1.998
   17    H    CGU   4           HN       GLA   4   6.277  -2.232   2.459
   18    HA   CGU   4           HA       GLA   4   8.020  -1.754   0.275
   19    HB2  CGU   4           HB2      GLA   4   6.711   0.323  -0.068
   20    HB3  CGU   4           HB3      GLA   4   5.998   0.130   1.533
   21    HG   CGU   4           HG       GLA   4   5.086  -2.079   0.815
   22    H    LEU   5           HN       LEU   5   8.006  -0.452   3.528
   23    HA   LEU   5           HA       LEU   5   9.835   1.740   2.926
   24    HB2  LEU   5           HB2      LEU   5   8.680   2.253   4.854
   25    HB3  LEU   5           HB1      LEU   5   8.582   0.567   5.365
   26    HG   LEU   5           HG       LEU   5  10.887   0.582   6.090
   27   HD11  LEU   5          HD11      LEU   5  11.773   3.204   5.913
   28   HD12  LEU   5          HD12      LEU   5  10.987   2.941   4.357
   29   HD13  LEU   5          HD13      LEU   5  12.292   1.875   4.878
   30   HD21  LEU   5          HD21      LEU   5  10.674   2.895   7.521
   31   HD22  LEU   5          HD22      LEU   5   9.827   1.405   7.935
   32   HD23  LEU   5          HD23      LEU   5   8.998   2.663   7.019
   33    H    GLN   6           HN       GLN   6  10.228  -1.236   4.882
   34    HA   GLN   6           HA       GLN   6  12.974  -1.133   5.250
   35    HB2  GLN   6           HB2      GLN   6  10.951  -3.257   5.181
   36    HB3  GLN   6           HB1      GLN   6  12.563  -3.824   4.746
   37    HG2  GLN   6           HG2      GLN   6  13.414  -2.603   6.818
   38    HG3  GLN   6           HG1      GLN   6  11.723  -2.411   7.285
   39   HE21  GLN   6          HE21      GLN   6  10.437  -4.491   7.509
   40   HE22  GLN   6          HE22      GLN   6  11.255  -5.902   7.982
   41    H    CGU   7           HN       GLA   7  11.227  -2.236   2.366
   42    HA   CGU   7           HA       GLA   7  13.472  -3.238   0.928
   43    HB2  CGU   7           HB2      GLA   7  12.027  -2.562  -1.114
   44    HB3  CGU   7           HB3      GLA   7  10.828  -2.059   0.078
   45    HG   CGU   7           HG       GLA   7  11.209  -4.430   1.105
   46    H    ASN   8           HN       ASN   8  12.528  -0.009   1.719
   47    HA   ASN   8           HA       ASN   8  14.624   1.030  -0.148
   48    HB2  ASN   8           HB2      ASN   8  11.987   2.193   0.737
   49    HB3  ASN   8           HB1      ASN   8  13.287   3.239   0.164
   50   HD21  ASN   8          HD21      ASN   8  10.571   2.263  -1.070
   51   HD22  ASN   8          HD22      ASN   8  11.018   1.774  -2.633
   52    H    GLN   9           HN       GLN   9  15.168   0.017   2.484
   53    HA   GLN   9           HA       GLN   9  15.217   1.959   4.518
   54    HB2  GLN   9           HB2      GLN   9  16.569  -0.561   3.962
   55    HB3  GLN   9           HB1      GLN   9  17.610   0.568   4.828
   56    HG2  GLN   9           HG2      GLN   9  14.782   0.219   5.761
   57    HG3  GLN   9           HG1      GLN   9  15.965  -1.028   6.156
   58   HE21  GLN   9          HE21      GLN   9  14.608   1.623   7.516
   59   HE22  GLN   9          HE22      GLN   9  15.919   2.197   8.443
   60    HA   HYP  10           HA       HYP  10  17.798   5.221   3.058
   61    HB2  HYP  10           HB2      HYP  10  19.489   5.221   5.398
   62    HB3  HYP  10           HB1      HYP  10  18.229   6.390   4.968
   63    HG   HYP  10           HG       HYP  10  18.135   4.658   7.081
   64   HD22  HYP  10          HD22      HYP  10  17.875   2.651   5.961
   65   HD23  HYP  10          HD21      HYP  10  16.163   3.141   6.011
   66    HD1  HYP  10           HD1      HYP  10  16.331   6.128   5.603
   67    H    CGU  11           HN       GLA  11  18.880   4.108   1.461
   68    HA   CGU  11           HA       GLA  11  21.336   3.725   0.868
   69    HB2  CGU  11           HB2      GLA  11  20.929   1.670   3.071
   70    HB3  CGU  11           HB3      GLA  11  22.075   3.021   3.091
   71    HG   CGU  11           HG       GLA  11  22.838   1.839   0.801
   72    H    LEU  12           HN       LEU  12  18.989   1.188   1.854
   73    HA   LEU  12           HA       LEU  12  19.435  -0.435  -0.471
   74    HB2  LEU  12           HB2      LEU  12  17.287  -0.184   1.593
   75    HB3  LEU  12           HB1      LEU  12  16.865  -1.005   0.087
   76    HG   LEU  12           HG       LEU  12  19.420  -1.734   1.483
   77   HD11  LEU  12          HD11      LEU  12  17.830  -3.619   2.487
   78   HD12  LEU  12          HD12      LEU  12  16.630  -2.331   2.380
   79   HD13  LEU  12          HD13      LEU  12  18.090  -2.099   3.341
   80   HD21  LEU  12          HD21      LEU  12  19.089  -3.824   0.354
   81   HD22  LEU  12          HD22      LEU  12  18.707  -2.567  -0.823
   82   HD23  LEU  12          HD23      LEU  12  17.407  -3.436  -0.008
   83    H    ILE  13           HN       ILE  13  17.563   2.421   0.183
   84    HA   ILE  13           HA       ILE  13  15.991   2.409  -2.242
   85    HB   ILE  13           HB       ILE  13  15.779   3.720   0.073
   86   HG12  ILE  13          HG12      ILE  13  15.030   4.990  -2.577
   87   HG13  ILE  13          HG11      ILE  13  14.164   3.639  -1.832
   88   HG21  ILE  13          HG21      ILE  13  17.950   4.928  -0.434
   89   HG22  ILE  13          HG22      ILE  13  16.587   5.981  -0.059
   90   HG23  ILE  13          HG23      ILE  13  17.099   5.765  -1.732
   91   HD11  ILE  13          HD11      ILE  13  12.922   5.280  -0.851
   92   HD12  ILE  13          HD12      ILE  13  14.165   6.505  -1.105
   93   HD13  ILE  13          HD13      ILE  13  14.288   5.393   0.258
   94    H    ARG  14           HN       ARG  14  19.125   3.776  -1.273
   95    HA   ARG  14           HA       ARG  14  19.405   5.112  -3.904
   96    HB2  ARG  14           HB2      ARG  14  20.569   5.439  -1.266
   97    HB3  ARG  14           HB1      ARG  14  21.840   5.246  -2.475
   98    HG2  ARG  14           HG2      ARG  14  20.629   6.988  -3.869
   99    HG3  ARG  14           HG1      ARG  14  19.608   7.291  -2.463
  100    HD2  ARG  14           HD2      ARG  14  22.632   7.441  -2.400
  101    HD3  ARG  14           HD1      ARG  14  21.589   8.840  -2.651
  102    HE   ARG  14           HE       ARG  14  21.018   7.253  -0.235
  103   HH11  ARG  14          HH11      ARG  14  20.914  10.316  -1.312
  104   HH12  ARG  14          HH12      ARG  14  21.819  11.043  -0.027
  105   HH21  ARG  14          HH21      ARG  14  22.920   8.018   1.265
  106   HH22  ARG  14          HH22      ARG  14  22.956   9.742   1.432
  107    H    CGU  15           HN       GLA  15  21.282   2.832  -1.893
  108    HA   CGU  15           HA       GLA  15  22.964   1.864  -3.911
  109    HB2  CGU  15           HB2      GLA  15  21.864  -0.179  -2.083
  110    HB3  CGU  15           HB3      GLA  15  22.439   1.268  -1.258
  111    HG   CGU  15           HG       GLA  15  24.292   0.362  -3.330
  112    H    LYS  16           HN       LYS  16  19.589   1.808  -3.544
  113    HA   LYS  16           HA       LYS  16  18.698  -0.606  -4.619
  114    HB2  LYS  16           HB2      LYS  16  17.427   1.650  -4.091
  115    HB3  LYS  16           HB1      LYS  16  17.631   1.930  -5.817
  116    HG2  LYS  16           HG2      LYS  16  15.627   0.778  -5.842
  117    HG3  LYS  16           HG1      LYS  16  16.753  -0.573  -5.973
  118    HD2  LYS  16           HD2      LYS  16  16.500  -1.172  -3.717
  119    HD3  LYS  16           HD1      LYS  16  15.877   0.416  -3.266
  120    HE2  LYS  16           HE2      LYS  16  13.762  -0.018  -4.073
  121    HE3  LYS  16           HE1      LYS  16  14.337  -1.194  -5.258
  122    HZ1  LYS  16           HZ1      LYS  16  15.011  -2.502  -3.130
  123    HZ2  LYS  16           HZ2      LYS  16  13.408  -2.553  -3.691
  124    HZ3  LYS  16           HZ3      LYS  16  13.823  -1.544  -2.388
  125    H    SER  17           HN       SER  17  19.672   2.226  -6.598
  126    HA   SER  17           HA       SER  17  19.872   0.482  -8.970
  127    HB2  SER  17           HB2      SER  17  19.784   3.395  -8.449
  128    HB3  SER  17           HB1      SER  17  20.809   2.906  -9.794
  129    HG   SER  17           HG       SER  17  18.716   3.186 -10.539
  130    H    ASN  18           HN       ASN  18  22.007   2.481  -6.935
  131    HA   ASN  18           HA       ASN  18  24.349   2.498  -6.752
  132    HB2  ASN  18           HB2      ASN  18  24.036   0.295  -5.825
  133    HB3  ASN  18           HB1      ASN  18  23.809  -0.406  -7.428
  134   HD21  ASN  18          HD21      ASN  18  26.299   1.838  -6.073
  135   HD22  ASN  18          HD22      ASN  18  27.627   0.895  -6.579
  136    HN1  NH2  19           H1       NH2  19  23.767   3.691  -9.101
  137    HN2  NH2  19           H2       NH2  19  24.749   3.117 -10.372
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   0.706  -0.714   4.469
    2    H2   GLY   1           HT2      GLY   1   1.075  -0.075   2.938
    3    H3   GLY   1           HT3      GLY   1   1.948   0.431   4.306
    4    HA2  GLY   1           HA1      GLY   1   2.144  -2.351   4.179
    5    HA3  GLY   1           HA2      GLY   1   2.505  -1.704   2.575
    6    H    GLU   2           HN       GLU   2   3.569  -1.894   5.887
    7    HA   GLU   2           HA       GLU   2   5.689   0.076   5.636
    8    HB2  GLU   2           HB2      GLU   2   6.485  -0.841   7.774
    9    HB3  GLU   2           HB1      GLU   2   4.742  -0.580   7.833
   10    HG2  GLU   2           HG2      GLU   2   4.370  -2.966   7.304
   11    HG3  GLU   2           HG1      GLU   2   6.115  -3.226   7.272
   12    H    CGU   3           HN       GLA   3   5.421  -3.412   5.136
   13    HA   CGU   3           HA       GLA   3   8.078  -4.215   5.053
   14    HB2  CGU   3           HB2      GLA   3   5.972  -4.937   2.997
   15    HB3  CGU   3           HB3      GLA   3   6.141  -5.701   4.581
   16    HG   CGU   3           HG       GLA   3   8.620  -5.585   2.960
   17    H    CGU   4           HN       GLA   4   6.304  -2.428   2.537
   18    HA   CGU   4           HA       GLA   4   8.292  -2.436   0.530
   19    HB2  CGU   4           HB2      GLA   4   7.223   0.052   0.240
   20    HB3  CGU   4           HB3      GLA   4   5.987  -0.715   1.237
   21    HG   CGU   4           HG       GLA   4   6.229  -2.698  -0.463
   22    H    LEU   5           HN       LEU   5   7.924  -0.297   3.351
   23    HA   LEU   5           HA       LEU   5   9.997   1.535   2.730
   24    HB2  LEU   5           HB2      LEU   5   8.869   2.272   4.585
   25    HB3  LEU   5           HB1      LEU   5   8.589   0.639   5.188
   26    HG   LEU   5           HG       LEU   5  10.856   0.488   6.013
   27   HD11  LEU   5          HD11      LEU   5  12.462   1.622   4.911
   28   HD12  LEU   5          HD12      LEU   5  11.898   3.084   5.720
   29   HD13  LEU   5          HD13      LEU   5  11.266   2.656   4.130
   30   HD21  LEU   5          HD21      LEU   5  10.388   1.705   7.869
   31   HD22  LEU   5          HD22      LEU   5   8.925   2.197   7.016
   32   HD23  LEU   5          HD23      LEU   5  10.361   3.220   6.967
   33    H    GLN   6           HN       GLN   6  10.162  -1.395   4.770
   34    HA   GLN   6           HA       GLN   6  12.864  -1.404   5.357
   35    HB2  GLN   6           HB2      GLN   6  10.817  -3.221   5.624
   36    HB3  GLN   6           HB1      GLN   6  11.895  -4.049   4.501
   37    HG2  GLN   6           HG2      GLN   6  12.788  -4.705   6.551
   38    HG3  GLN   6           HG1      GLN   6  13.768  -3.284   6.187
   39   HE21  GLN   6          HE21      GLN   6  13.618  -3.864   8.851
   40   HE22  GLN   6          HE22      GLN   6  12.559  -2.810   9.656
   41    H    CGU   7           HN       GLA   7  11.350  -2.564   2.343
   42    HA   CGU   7           HA       GLA   7  13.778  -3.496   1.138
   43    HB2  CGU   7           HB2      GLA   7  12.485  -3.256  -1.016
   44    HB3  CGU   7           HB3      GLA   7  11.178  -2.530  -0.080
   45    HG   CGU   7           HG       GLA   7  11.021  -4.572   1.293
   46    H    ASN   8           HN       ASN   8  12.642  -0.324   1.759
   47    HA   ASN   8           HA       ASN   8  14.692   0.758  -0.135
   48    HB2  ASN   8           HB2      ASN   8  12.162   2.162   0.766
   49    HB3  ASN   8           HB1      ASN   8  13.315   2.732  -0.440
   50   HD21  ASN   8          HD21      ASN   8  12.791   2.220  -2.570
   51   HD22  ASN   8          HD22      ASN   8  11.744   0.968  -3.041
   52    H    GLN   9           HN       GLN   9  15.226  -0.047   2.564
   53    HA   GLN   9           HA       GLN   9  15.067   2.125   4.399
   54    HB2  GLN   9           HB2      GLN   9  16.397   0.842   5.823
   55    HB3  GLN   9           HB1      GLN   9  15.695  -0.393   4.780
   56    HG2  GLN   9           HG2      GLN   9  17.853   0.223   3.296
   57    HG3  GLN   9           HG1      GLN   9  18.490   0.626   4.890
   58   HE21  GLN   9          HE21      GLN   9  16.412  -1.557   5.890
   59   HE22  GLN   9          HE22      GLN   9  17.280  -3.008   5.663
   60    HA   HYP  10           HA       HYP  10  17.895   5.221   3.167
   61    HB2  HYP  10           HB2      HYP  10  19.616   4.977   5.475
   62    HB3  HYP  10           HB1      HYP  10  18.418   6.240   5.140
   63    HG   HYP  10           HG       HYP  10  18.252   4.384   7.142
   64   HD22  HYP  10          HD22      HYP  10  17.866   2.472   5.900
   65   HD23  HYP  10          HD21      HYP  10  16.183   3.046   6.008
   66    HD1  HYP  10           HD1      HYP  10  16.631   5.699   7.404
   67    H    CGU  11           HN       GLA  11  18.905   4.176   1.489
   68    HA   CGU  11           HA       GLA  11  21.309   3.719   0.805
   69    HB2  CGU  11           HB2      GLA  11  20.900   1.538   2.880
   70    HB3  CGU  11           HB3      GLA  11  22.068   2.864   2.979
   71    HG   CGU  11           HG       GLA  11  22.566   1.679   0.496
   72    H    LEU  12           HN       LEU  12  18.820   1.273   1.698
   73    HA   LEU  12           HA       LEU  12  19.167  -0.316  -0.645
   74    HB2  LEU  12           HB2      LEU  12  16.952   0.170   1.296
   75    HB3  LEU  12           HB1      LEU  12  16.490  -0.496  -0.274
   76    HG   LEU  12           HG       LEU  12  18.703  -1.658   1.436
   77   HD11  LEU  12          HD11      LEU  12  16.475  -1.784   2.567
   78   HD12  LEU  12          HD12      LEU  12  17.107  -3.368   2.120
   79   HD13  LEU  12          HD13      LEU  12  15.840  -2.619   1.149
   80   HD21  LEU  12          HD21      LEU  12  17.599  -2.155  -1.234
   81   HD22  LEU  12          HD22      LEU  12  17.617  -3.602  -0.225
   82   HD23  LEU  12          HD23      LEU  12  19.113  -2.718  -0.526
   83    H    ILE  13           HN       ILE  13  17.359   2.613   0.036
   84    HA   ILE  13           HA       ILE  13  16.097   2.943  -2.513
   85    HB   ILE  13           HB       ILE  13  15.875   4.156  -0.134
   86   HG12  ILE  13          HG12      ILE  13  15.410   5.548  -2.790
   87   HG13  ILE  13          HG11      ILE  13  14.330   4.361  -2.050
   88   HG21  ILE  13          HG21      ILE  13  18.178   5.155  -0.448
   89   HG22  ILE  13          HG22      ILE  13  16.906   6.328  -0.114
   90   HG23  ILE  13          HG23      ILE  13  17.506   6.124  -1.759
   91   HD11  ILE  13          HD11      ILE  13  14.873   7.186  -1.249
   92   HD12  ILE  13          HD12      ILE  13  14.546   6.020   0.033
   93   HD13  ILE  13          HD13      ILE  13  13.353   6.290  -1.238
   94    H    ARG  14           HN       ARG  14  19.266   3.877  -1.238
   95    HA   ARG  14           HA       ARG  14  19.934   5.386  -3.680
   96    HB2  ARG  14           HB2      ARG  14  20.792   6.144  -1.467
   97    HB3  ARG  14           HB1      ARG  14  21.661   4.619  -1.297
   98    HG2  ARG  14           HG2      ARG  14  23.119   5.116  -3.094
   99    HG3  ARG  14           HG1      ARG  14  22.071   6.400  -3.698
  100    HD2  ARG  14           HD2      ARG  14  24.240   6.982  -2.285
  101    HD3  ARG  14           HD1      ARG  14  22.756   7.912  -2.081
  102    HE   ARG  14           HE       ARG  14  22.494   5.877  -0.231
  103   HH11  ARG  14          HH21      ARG  14  25.564   6.019  -0.329
  104   HH12  ARG  14          HH22      ARG  14  25.876   7.100   0.987
  105   HH21  ARG  14          HH11      ARG  14  22.603   8.225   1.190
  106   HH22  ARG  14          HH12      ARG  14  24.200   8.348   1.847
  107    H    CGU  15           HN       GLA  15  21.349   2.624  -1.914
  108    HA   CGU  15           HA       GLA  15  22.961   1.631  -3.945
  109    HB2  CGU  15           HB2      GLA  15  21.476  -0.467  -2.578
  110    HB3  CGU  15           HB3      GLA  15  21.984   0.782  -1.445
  111    HG   CGU  15           HG       GLA  15  23.983  -0.185  -3.441
  112    H    LYS  16           HN       LYS  16  19.543   2.012  -3.711
  113    HA   LYS  16           HA       LYS  16  18.515  -0.052  -5.327
  114    HB2  LYS  16           HB2      LYS  16  17.417   2.131  -4.274
  115    HB3  LYS  16           HB1      LYS  16  17.627   2.744  -5.914
  116    HG2  LYS  16           HG2      LYS  16  15.449   1.733  -5.813
  117    HG3  LYS  16           HG1      LYS  16  16.484   0.629  -6.723
  118    HD2  LYS  16           HD2      LYS  16  16.787  -0.030  -3.976
  119    HD3  LYS  16           HD1      LYS  16  15.058   0.131  -4.279
  120    HE2  LYS  16           HE2      LYS  16  17.010  -1.581  -5.832
  121    HE3  LYS  16           HE1      LYS  16  15.749  -2.165  -4.739
  122    HZ1  LYS  16           HZ1      LYS  16  15.416  -1.911  -7.365
  123    HZ2  LYS  16           HZ2      LYS  16  14.873  -0.382  -6.859
  124    HZ3  LYS  16           HZ3      LYS  16  14.143  -1.790  -6.250
  125    H    SER  17           HN       SER  17  20.203   2.904  -6.352
  126    HA   SER  17           HA       SER  17  19.970   2.182  -9.188
  127    HB2  SER  17           HB2      SER  17  21.119   4.458  -7.630
  128    HB3  SER  17           HB1      SER  17  21.744   4.170  -9.252
  129    HG   SER  17           HG       SER  17  19.574   5.439  -8.645
  130    H    ASN  18           HN       ASN  18  22.749   2.694  -6.976
  131    HA   ASN  18           HA       ASN  18  24.588   1.361  -8.774
  132    HB2  ASN  18           HB2      ASN  18  25.164   3.092  -6.970
  133    HB3  ASN  18           HB1      ASN  18  25.002   1.775  -5.807
  134   HD21  ASN  18          HD21      ASN  18  27.344   1.904  -5.344
  135   HD22  ASN  18          HD22      ASN  18  28.476   1.274  -6.454
  136    HN1  NH2  19           H1       NH2  19  25.766  -0.169  -6.320
  137    HN2  NH2  19           H2       NH2  19  24.869  -1.621  -6.300
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   1.418  -3.930   3.534
    2    H2   GLY   1           HT2      GLY   1   2.137  -3.595   5.036
    3    H3   GLY   1           HT3      GLY   1   3.067  -4.246   3.772
    4    HA2  GLY   1           HA1      GLY   1   2.790  -2.238   2.475
    5    HA3  GLY   1           HA2      GLY   1   1.790  -1.564   3.766
    6    H    GLU   2           HN       GLU   2   3.673  -3.086   5.700
    7    HA   GLU   2           HA       GLU   2   5.484  -0.829   6.109
    8    HB2  GLU   2           HB2      GLU   2   6.222  -2.083   8.096
    9    HB3  GLU   2           HB1      GLU   2   4.461  -2.024   8.021
   10    HG2  GLU   2           HG2      GLU   2   4.842  -4.291   6.638
   11    HG3  GLU   2           HG1      GLU   2   6.299  -4.340   7.631
   12    H    CGU   3           HN       GLA   3   5.685  -4.071   4.778
   13    HA   CGU   3           HA       GLA   3   8.528  -4.366   4.834
   14    HB2  CGU   3           HB2      GLA   3   6.600  -5.429   2.752
   15    HB3  CGU   3           HB3      GLA   3   6.904  -6.198   4.313
   16    HG   CGU   3           HG       GLA   3   9.109  -5.573   2.330
   17    H    CGU   4           HN       GLA   4   6.341  -2.841   2.492
   18    HA   CGU   4           HA       GLA   4   8.225  -2.341   0.432
   19    HB2  CGU   4           HB2      GLA   4   6.680  -0.249   0.060
   20    HB3  CGU   4           HB3      GLA   4   5.694  -0.986   1.324
   21    HG   CGU   4           HG       GLA   4   6.254  -3.138  -0.303
   22    H    LEU   5           HN       LEU   5   7.727  -0.763   3.522
   23    HA   LEU   5           HA       LEU   5   9.230   1.629   2.915
   24    HB2  LEU   5           HB2      LEU   5   7.988   1.971   4.825
   25    HB3  LEU   5           HB1      LEU   5   8.165   0.299   5.362
   26    HG   LEU   5           HG       LEU   5  10.423   0.709   6.115
   27   HD11  LEU   5          HD11      LEU   5  10.874   3.436   5.896
   28   HD12  LEU   5          HD12      LEU   5  10.164   3.023   4.336
   29   HD13  LEU   5          HD13      LEU   5  11.618   2.193   4.893
   30   HD21  LEU   5          HD21      LEU   5   8.341   2.725   6.929
   31   HD22  LEU   5          HD22      LEU   5   9.952   2.782   7.646
   32   HD23  LEU   5          HD23      LEU   5   8.954   1.339   7.832
   33    H    GLN   6           HN       GLN   6  10.108  -1.200   4.929
   34    HA   GLN   6           HA       GLN   6  12.781  -0.641   5.346
   35    HB2  GLN   6           HB2      GLN   6  11.670  -3.373   4.630
   36    HB3  GLN   6           HB1      GLN   6  13.159  -3.057   5.520
   37    HG2  GLN   6           HG2      GLN   6  12.024  -2.303   7.420
   38    HG3  GLN   6           HG1      GLN   6  10.561  -1.916   6.513
   39   HE21  GLN   6          HE21      GLN   6  10.537  -3.590   8.878
   40   HE22  GLN   6          HE22      GLN   6  10.070  -5.151   8.400
   41    H    CGU   7           HN       GLA   7  11.357  -2.109   2.429
   42    HA   CGU   7           HA       GLA   7  13.703  -2.711   1.009
   43    HB2  CGU   7           HB2      GLA   7  12.276  -2.088  -1.054
   44    HB3  CGU   7           HB3      GLA   7  10.995  -1.726   0.105
   45    HG   CGU   7           HG       GLA   7  11.493  -4.082   1.069
   46    H    ASN   8           HN       ASN   8  12.510   0.357   1.981
   47    HA   ASN   8           HA       ASN   8  14.405   1.718   0.109
   48    HB2  ASN   8           HB2      ASN   8  12.012   2.855   1.591
   49    HB3  ASN   8           HB1      ASN   8  13.058   3.751   0.488
   50   HD21  ASN   8          HD21      ASN   8  10.083   2.417   0.509
   51   HD22  ASN   8          HD22      ASN   8   9.968   1.881  -1.097
   52    H    GLN   9           HN       GLN   9  15.286   0.434   2.534
   53    HA   GLN   9           HA       GLN   9  15.499   2.313   4.683
   54    HB2  GLN   9           HB2      GLN   9  16.482  -0.339   4.076
   55    HB3  GLN   9           HB1      GLN   9  17.748   0.640   4.814
   56    HG2  GLN   9           HG2      GLN   9  16.168   1.249   6.644
   57    HG3  GLN   9           HG1      GLN   9  14.966   0.173   5.930
   58   HE21  GLN   9          HE21      GLN   9  18.431  -0.594   5.913
   59   HE22  GLN   9          HE22      GLN   9  18.323  -1.898   7.008
   60    HA   HYP  10           HA       HYP  10  18.374   5.299   3.184
   61    HB2  HYP  10           HB2      HYP  10  20.165   5.028   5.432
   62    HB3  HYP  10           HB1      HYP  10  19.026   6.345   5.107
   63    HG   HYP  10           HG       HYP  10  18.848   4.551   7.167
   64   HD22  HYP  10          HD22      HYP  10  18.285   2.635   6.008
   65   HD23  HYP  10          HD21      HYP  10  16.650   3.326   6.159
   66    HD1  HYP  10           HD1      HYP  10  17.157   6.284   5.854
   67    H    CGU  11           HN       GLA  11  19.246   4.099   1.506
   68    HA   CGU  11           HA       GLA  11  21.610   3.463   0.782
   69    HB2  CGU  11           HB2      GLA  11  21.102   1.426   2.982
   70    HB3  CGU  11           HB3      GLA  11  22.374   2.657   2.968
   71    HG   CGU  11           HG       GLA  11  22.933   1.457   0.643
   72    H    LEU  12           HN       LEU  12  19.069   1.167   1.869
   73    HA   LEU  12           HA       LEU  12  19.223  -0.485  -0.464
   74    HB2  LEU  12           HB2      LEU  12  17.013   0.109   1.517
   75    HB3  LEU  12           HB1      LEU  12  16.731  -0.946   0.127
   76    HG   LEU  12           HG       LEU  12  18.965  -1.344   2.137
   77   HD11  LEU  12          HD11      LEU  12  17.492  -2.383   3.483
   78   HD12  LEU  12          HD12      LEU  12  16.957  -3.409   2.150
   79   HD13  LEU  12          HD13      LEU  12  16.185  -1.847   2.427
   80   HD21  LEU  12          HD21      LEU  12  18.066  -2.692  -0.367
   81   HD22  LEU  12          HD22      LEU  12  18.591  -3.735   0.956
   82   HD23  LEU  12          HD23      LEU  12  19.692  -2.524   0.297
   83    H    ILE  13           HN       ILE  13  17.689   2.567   0.236
   84    HA   ILE  13           HA       ILE  13  16.056   2.722  -2.136
   85    HB   ILE  13           HB       ILE  13  16.097   4.086   0.159
   86   HG12  ILE  13          HG12      ILE  13  15.387   5.322  -2.519
   87   HG13  ILE  13          HG11      ILE  13  14.378   4.190  -1.610
   88   HG21  ILE  13          HG21      ILE  13  18.375   5.019  -0.454
   89   HG22  ILE  13          HG22      ILE  13  17.161   6.232  -0.055
   90   HG23  ILE  13          HG23      ILE  13  17.579   5.925  -1.741
   91   HD11  ILE  13          HD11      ILE  13  13.502   6.233  -0.908
   92   HD12  ILE  13          HD12      ILE  13  15.070   7.039  -0.972
   93   HD13  ILE  13          HD13      ILE  13  14.705   5.925   0.345
   94    H    ARG  14           HN       ARG  14  19.357   3.735  -1.306
   95    HA   ARG  14           HA       ARG  14  19.695   4.965  -3.977
   96    HB2  ARG  14           HB2      ARG  14  21.208   4.969  -1.404
   97    HB3  ARG  14           HB1      ARG  14  22.160   5.110  -2.880
   98    HG2  ARG  14           HG2      ARG  14  20.465   6.949  -3.563
   99    HG3  ARG  14           HG1      ARG  14  20.002   6.955  -1.862
  100    HD2  ARG  14           HD2      ARG  14  22.817   6.986  -1.874
  101    HD3  ARG  14           HD1      ARG  14  22.328   8.131  -3.121
  102    HE   ARG  14           HE       ARG  14  20.973   8.370  -0.503
  103   HH11  ARG  14          HH21      ARG  14  23.776   9.192  -2.279
  104   HH12  ARG  14          HH22      ARG  14  23.795  10.845  -1.766
  105   HH21  ARG  14          HH11      ARG  14  20.803  10.616  -0.028
  106   HH22  ARG  14          HH12      ARG  14  22.112  11.652  -0.491
  107    H    CGU  15           HN       GLA  15  21.403   2.545  -1.971
  108    HA   CGU  15           HA       GLA  15  22.909   1.379  -4.015
  109    HB2  CGU  15           HB2      GLA  15  21.696  -0.551  -2.172
  110    HB3  CGU  15           HB3      GLA  15  22.334   0.862  -1.337
  111    HG   CGU  15           HG       GLA  15  24.077  -0.290  -3.435
  112    H    LYS  16           HN       LYS  16  19.558   1.686  -3.571
  113    HA   LYS  16           HA       LYS  16  18.390  -0.636  -4.577
  114    HB2  LYS  16           HB2      LYS  16  17.379   1.750  -4.085
  115    HB3  LYS  16           HB1      LYS  16  17.602   1.984  -5.816
  116    HG2  LYS  16           HG2      LYS  16  15.462   1.079  -5.775
  117    HG3  LYS  16           HG1      LYS  16  16.436  -0.377  -5.976
  118    HD2  LYS  16           HD2      LYS  16  16.205  -0.997  -3.718
  119    HD3  LYS  16           HD1      LYS  16  15.741   0.630  -3.222
  120    HE2  LYS  16           HE2      LYS  16  13.667   0.344  -4.676
  121    HE3  LYS  16           HE1      LYS  16  14.091  -1.367  -4.779
  122    HZ1  LYS  16           HZ1      LYS  16  14.057  -0.153  -2.126
  123    HZ2  LYS  16           HZ2      LYS  16  13.606  -1.717  -2.611
  124    HZ3  LYS  16           HZ3      LYS  16  12.555  -0.408  -2.872
  125    H    SER  17           HN       SER  17  19.640   2.024  -6.638
  126    HA   SER  17           HA       SER  17  19.627   0.209  -8.967
  127    HB2  SER  17           HB2      SER  17  20.467   3.112  -8.716
  128    HB3  SER  17           HB1      SER  17  20.338   2.215 -10.227
  129    HG   SER  17           HG       SER  17  18.097   1.967  -8.731
  130    H    ASN  18           HN       ASN  18  21.940   1.871  -6.861
  131    HA   ASN  18           HA       ASN  18  23.991  -0.092  -7.431
  132    HB2  ASN  18           HB2      ASN  18  23.889   2.346  -9.041
  133    HB3  ASN  18           HB1      ASN  18  25.418   2.177  -8.177
  134   HD21  ASN  18          HD21      ASN  18  24.244   1.544 -11.124
  135   HD22  ASN  18          HD22      ASN  18  25.023   0.067 -11.476
  136    HN1  NH2  19           H1       NH2  19  23.476   3.291  -6.292
  137    HN2  NH2  19           H2       NH2  19  24.382   3.104  -4.860
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   1.669   0.191   2.699
    2    H2   GLY   1           HT2      GLY   1   1.387  -0.805   1.351
    3    H3   GLY   1           HT3      GLY   1   2.885  -0.024   1.537
    4    HA2  GLY   1           HA1      GLY   1   1.882  -1.968   3.527
    5    HA3  GLY   1           HA2      GLY   1   2.811  -2.475   2.112
    6    H    GLU   2           HN       GLU   2   3.336  -2.158   5.195
    7    HA   GLU   2           HA       GLU   2   5.484  -0.248   5.415
    8    HB2  GLU   2           HB2      GLU   2   5.954  -1.296   7.548
    9    HB3  GLU   2           HB1      GLU   2   4.203  -1.213   7.356
   10    HG2  GLU   2           HG2      GLU   2   4.270  -3.569   6.460
   11    HG3  GLU   2           HG1      GLU   2   5.977  -3.627   6.900
   12    H    CGU   3           HN       GLA   3   5.274  -3.422   4.079
   13    HA   CGU   3           HA       GLA   3   7.993  -4.256   4.432
   14    HB2  CGU   3           HB2      GLA   3   6.723  -5.061   1.900
   15    HB3  CGU   3           HB3      GLA   3   5.739  -5.386   3.332
   16    HG   CGU   3           HG       GLA   3   7.433  -6.737   4.309
   17    H    CGU   4           HN       GLA   4   6.433  -2.115   2.119
   18    HA   CGU   4           HA       GLA   4   8.570  -2.017   0.207
   19    HB2  CGU   4           HB2      GLA   4   7.464   0.433  -0.051
   20    HB3  CGU   4           HB3      GLA   4   6.178  -0.367   0.852
   21    HG   CGU   4           HG       GLA   4   6.361  -2.262  -0.859
   22    H    LEU   5           HN       LEU   5   8.221  -0.694   3.378
   23    HA   LEU   5           HA       LEU   5  10.111   1.492   3.036
   24    HB2  LEU   5           HB2      LEU   5   8.783   1.913   4.876
   25    HB3  LEU   5           HB1      LEU   5   8.664   0.205   5.307
   26    HG   LEU   5           HG       LEU   5  10.898   0.211   6.225
   27   HD11  LEU   5          HD11      LEU   5  12.382   1.554   5.158
   28   HD12  LEU   5          HD12      LEU   5  11.796   2.825   6.231
   29   HD13  LEU   5          HD13      LEU   5  11.117   2.655   4.613
   30   HD21  LEU   5          HD21      LEU   5   9.836   2.832   7.221
   31   HD22  LEU   5          HD22      LEU   5  10.470   1.463   8.135
   32   HD23  LEU   5          HD23      LEU   5   8.855   1.382   7.432
   33    H    GLN   6           HN       GLN   6  10.341  -1.558   4.900
   34    HA   GLN   6           HA       GLN   6  13.066  -1.457   5.465
   35    HB2  GLN   6           HB2      GLN   6  11.280  -3.240   6.114
   36    HB3  GLN   6           HB1      GLN   6  11.789  -4.055   4.634
   37    HG2  GLN   6           HG2      GLN   6  13.293  -5.005   6.100
   38    HG3  GLN   6           HG1      GLN   6  14.214  -3.568   5.654
   39   HE21  GLN   6          HE21      GLN   6  12.829  -5.250   8.308
   40   HE22  GLN   6          HE22      GLN   6  13.016  -4.029   9.473
   41    H    CGU   7           HN       GLA   7  11.527  -2.041   2.398
   42    HA   CGU   7           HA       GLA   7  13.918  -3.185   1.156
   43    HB2  CGU   7           HB2      GLA   7  12.591  -2.867  -0.964
   44    HB3  CGU   7           HB3      GLA   7  11.311  -2.148   0.012
   45    HG   CGU   7           HG       GLA   7  11.446  -4.316   1.423
   46    H    ASN   8           HN       ASN   8  12.757  -0.031   1.877
   47    HA   ASN   8           HA       ASN   8  14.806   1.123   0.025
   48    HB2  ASN   8           HB2      ASN   8  12.189   2.326   0.977
   49    HB3  ASN   8           HB1      ASN   8  13.410   3.199   0.050
   50   HD21  ASN   8          HD21      ASN   8  12.079   3.433  -1.864
   51   HD22  ASN   8          HD22      ASN   8  11.647   2.104  -2.827
   52    H    GLN   9           HN       GLN   9  15.371   0.183   2.682
   53    HA   GLN   9           HA       GLN   9  15.284   2.241   4.641
   54    HB2  GLN   9           HB2      GLN   9  16.621  -0.326   4.296
   55    HB3  GLN   9           HB1      GLN   9  17.647   0.841   5.130
   56    HG2  GLN   9           HG2      GLN   9  15.774   1.308   6.708
   57    HG3  GLN   9           HG1      GLN   9  14.824   0.056   5.909
   58   HE21  GLN   9          HE21      GLN   9  15.783   0.030   8.726
   59   HE22  GLN   9          HE22      GLN   9  16.772  -1.352   8.872
   60    HA   HYP  10           HA       HYP  10  17.976   5.429   3.229
   61    HB2  HYP  10           HB2      HYP  10  19.726   5.300   5.527
   62    HB3  HYP  10           HB1      HYP  10  18.503   6.529   5.158
   63    HG   HYP  10           HG       HYP  10  18.395   4.738   7.225
   64   HD22  HYP  10          HD22      HYP  10  17.998   2.781   6.077
   65   HD23  HYP  10          HD21      HYP  10  16.315   3.358   6.160
   66    HD1  HYP  10           HD1      HYP  10  15.942   5.339   6.141
   67    H    CGU  11           HN       GLA  11  18.991   4.337   1.574
   68    HA   CGU  11           HA       GLA  11  21.368   3.894   0.840
   69    HB2  CGU  11           HB2      GLA  11  21.131   1.831   3.057
   70    HB3  CGU  11           HB3      GLA  11  22.194   3.245   3.078
   71    HG   CGU  11           HG       GLA  11  22.762   1.969   0.657
   72    H    LEU  12           HN       LEU  12  18.999   1.449   1.982
   73    HA   LEU  12           HA       LEU  12  19.341  -0.301  -0.257
   74    HB2  LEU  12           HB2      LEU  12  17.058   0.249   1.643
   75    HB3  LEU  12           HB1      LEU  12  16.831  -0.835   0.266
   76    HG   LEU  12           HG       LEU  12  19.003  -1.126   2.366
   77   HD11  LEU  12          HD11      LEU  12  17.147  -3.314   2.251
   78   HD12  LEU  12          HD12      LEU  12  16.241  -1.814   2.452
   79   HD13  LEU  12          HD13      LEU  12  17.500  -2.245   3.609
   80   HD21  LEU  12          HD21      LEU  12  18.360  -2.479  -0.209
   81   HD22  LEU  12          HD22      LEU  12  18.832  -3.522   1.132
   82   HD23  LEU  12          HD23      LEU  12  19.920  -2.249   0.580
   83    H    ILE  13           HN       ILE  13  17.577   2.660   0.273
   84    HA   ILE  13           HA       ILE  13  16.043   2.657  -2.166
   85    HB   ILE  13           HB       ILE  13  15.910   4.074   0.091
   86   HG12  ILE  13          HG12      ILE  13  15.251   5.252  -2.626
   87   HG13  ILE  13          HG11      ILE  13  14.279   4.040  -1.783
   88   HG21  ILE  13          HG21      ILE  13  16.859   6.268  -0.123
   89   HG22  ILE  13          HG22      ILE  13  17.357   5.958  -1.786
   90   HG23  ILE  13          HG23      ILE  13  18.155   5.120  -0.455
   91   HD11  ILE  13          HD11      ILE  13  13.210   5.944  -1.030
   92   HD12  ILE  13          HD12      ILE  13  14.667   6.932  -1.149
   93   HD13  ILE  13          HD13      ILE  13  14.465   5.817   0.203
   94    H    ARG  14           HN       ARG  14  19.255   3.865  -1.246
   95    HA   ARG  14           HA       ARG  14  19.624   5.096  -3.907
   96    HB2  ARG  14           HB2      ARG  14  20.566   6.027  -1.663
   97    HB3  ARG  14           HB1      ARG  14  21.775   4.751  -1.814
   98    HG2  ARG  14           HG2      ARG  14  22.140   5.643  -4.212
   99    HG3  ARG  14           HG1      ARG  14  21.268   7.077  -3.668
  100    HD2  ARG  14           HD2      ARG  14  22.892   7.272  -1.768
  101    HD3  ARG  14           HD1      ARG  14  23.810   5.941  -2.472
  102    HE   ARG  14           HE       ARG  14  24.517   7.401  -4.227
  103   HH11  ARG  14          HH21      ARG  14  22.902   8.963  -1.677
  104   HH12  ARG  14          HH22      ARG  14  22.790  10.494  -2.478
  105   HH21  ARG  14          HH11      ARG  14  24.057   9.315  -5.482
  106   HH22  ARG  14          HH12      ARG  14  23.444  10.694  -4.632
  107    H    CGU  15           HN       GLA  15  21.305   2.673  -1.897
  108    HA   CGU  15           HA       GLA  15  22.833   1.515  -3.945
  109    HB2  CGU  15           HB2      GLA  15  21.700  -0.417  -2.066
  110    HB3  CGU  15           HB3      GLA  15  22.267   1.033  -1.242
  111    HG   CGU  15           HG       GLA  15  24.075  -0.083  -3.314
  112    H    LYS  16           HN       LYS  16  19.478   1.760  -3.449
  113    HA   LYS  16           HA       LYS  16  18.348  -0.608  -4.396
  114    HB2  LYS  16           HB2      LYS  16  17.263   1.743  -3.913
  115    HB3  LYS  16           HB1      LYS  16  17.450   1.969  -5.650
  116    HG2  LYS  16           HG2      LYS  16  15.303   1.017  -5.443
  117    HG3  LYS  16           HG1      LYS  16  16.329  -0.357  -5.862
  118    HD2  LYS  16           HD2      LYS  16  16.331  -1.189  -3.665
  119    HD3  LYS  16           HD1      LYS  16  15.846   0.361  -2.977
  120    HE2  LYS  16           HE2      LYS  16  13.631   0.132  -4.096
  121    HE3  LYS  16           HE1      LYS  16  14.118  -1.465  -4.675
  122    HZ1  LYS  16           HZ1      LYS  16  13.891  -2.369  -2.644
  123    HZ2  LYS  16           HZ2      LYS  16  12.849  -1.055  -2.374
  124    HZ3  LYS  16           HZ3      LYS  16  14.457  -0.991  -1.831
  125    H    SER  17           HN       SER  17  19.526   2.044  -6.502
  126    HA   SER  17           HA       SER  17  19.341   0.313  -8.859
  127    HB2  SER  17           HB2      SER  17  19.012   2.424  -9.647
  128    HB3  SER  17           HB1      SER  17  19.879   3.162  -8.303
  129    HG   SER  17           HG       SER  17  20.736   2.810 -10.748
  130    H    ASN  18           HN       ASN  18  22.026   1.959  -7.139
  131    HA   ASN  18           HA       ASN  18  24.119   0.741  -8.632
  132    HB2  ASN  18           HB2      ASN  18  24.055   1.738  -5.770
  133    HB3  ASN  18           HB1      ASN  18  25.529   1.240  -6.601
  134   HD21  ASN  18          HD21      ASN  18  25.965   3.704  -6.062
  135   HD22  ASN  18          HD22      ASN  18  25.510   4.814  -7.275
  136    HN1  NH2  19           H1       NH2  19  24.842  -1.391  -8.627
  137    HN2  NH2  19           H2       NH2  19  24.466  -2.547  -7.430
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   3.263  -4.789   5.210
    2    H2   GLY   1           HT2      GLY   1   3.023  -5.814   3.877
    3    H3   GLY   1           HT3      GLY   1   1.703  -5.012   4.585
    4    HA2  GLY   1           HA1      GLY   1   3.203  -4.152   2.444
    5    HA3  GLY   1           HA2      GLY   1   1.997  -3.220   3.339
    6    H    GLU   2           HN       GLU   2   3.840  -3.659   5.792
    7    HA   GLU   2           HA       GLU   2   5.147  -1.119   5.687
    8    HB2  GLU   2           HB2      GLU   2   6.379  -2.006   7.737
    9    HB3  GLU   2           HB1      GLU   2   4.619  -2.026   7.839
   10    HG2  GLU   2           HG2      GLU   2   5.507  -4.474   6.617
   11    HG3  GLU   2           HG1      GLU   2   6.397  -4.227   8.119
   12    H    CGU   3           HN       GLA   3   6.084  -4.247   4.537
   13    HA   CGU   3           HA       GLA   3   8.914  -4.028   4.634
   14    HB2  CGU   3           HB2      GLA   3   8.318  -5.293   2.201
   15    HB3  CGU   3           HB3      GLA   3   6.948  -5.667   3.252
   16    HG   CGU   3           HG       GLA   3   8.729  -6.245   5.035
   17    H    CGU   4           HN       GLA   4   6.594  -2.872   2.187
   18    HA   CGU   4           HA       GLA   4   8.421  -1.912   0.273
   19    HB2  CGU   4           HB2      GLA   4   6.497  -0.019   0.117
   20    HB3  CGU   4           HB3      GLA   4   5.639  -1.233   1.067
   21    HG   CGU   4           HG       GLA   4   6.494  -2.919  -0.711
   22    H    LEU   5           HN       LEU   5   7.501  -0.556   3.384
   23    HA   LEU   5           HA       LEU   5   8.682   2.047   2.936
   24    HB2  LEU   5           HB2      LEU   5   7.236   2.148   4.732
   25    HB3  LEU   5           HB1      LEU   5   7.630   0.515   5.271
   26    HG   LEU   5           HG       LEU   5   9.726   1.256   6.208
   27   HD11  LEU   5          HD11      LEU   5  10.768   2.937   5.103
   28   HD12  LEU   5          HD12      LEU   5   9.756   4.027   6.051
   29   HD13  LEU   5          HD13      LEU   5   9.252   3.539   4.433
   30   HD21  LEU   5          HD21      LEU   5   7.250   2.799   6.876
   31   HD22  LEU   5          HD22      LEU   5   8.760   3.275   7.650
   32   HD23  LEU   5          HD23      LEU   5   8.143   1.636   7.856
   33    H    GLN   6           HN       GLN   6   9.764  -0.714   4.938
   34    HA   GLN   6           HA       GLN   6  12.367   0.331   5.397
   35    HB2  GLN   6           HB2      GLN   6  11.390  -2.540   5.370
   36    HB3  GLN   6           HB1      GLN   6  12.960  -2.028   5.990
   37    HG2  GLN   6           HG2      GLN   6  12.039  -0.941   7.822
   38    HG3  GLN   6           HG1      GLN   6  10.500  -0.655   7.008
   39   HE21  GLN   6          HE21      GLN   6   9.133  -1.702   8.561
   40   HE22  GLN   6          HE22      GLN   6   9.221  -3.366   8.888
   41    H    CGU   7           HN       GLA   7  10.996  -1.383   2.680
   42    HA   CGU   7           HA       GLA   7  13.345  -2.403   1.470
   43    HB2  CGU   7           HB2      GLA   7  12.011  -1.902  -0.717
   44    HB3  CGU   7           HB3      GLA   7  10.721  -1.405   0.378
   45    HG   CGU   7           HG       GLA   7  11.071  -3.668   1.549
   46    H    ASN   8           HN       ASN   8  12.613   0.795   2.206
   47    HA   ASN   8           HA       ASN   8  14.578   1.751   0.159
   48    HB2  ASN   8           HB2      ASN   8  12.196   3.231   1.320
   49    HB3  ASN   8           HB1      ASN   8  13.389   3.934   0.226
   50   HD21  ASN   8          HD21      ASN   8  10.697   1.636   0.427
   51   HD22  ASN   8          HD22      ASN   8  10.522   1.425  -1.248
   52    H    GLN   9           HN       GLN   9  15.255   0.770   2.785
   53    HA   GLN   9           HA       GLN   9  15.558   2.987   4.603
   54    HB2  GLN   9           HB2      GLN   9  16.579   1.483   6.045
   55    HB3  GLN   9           HB1      GLN   9  15.641   0.384   5.036
   56    HG2  GLN   9           HG2      GLN   9  17.680   0.167   3.547
   57    HG3  GLN   9           HG1      GLN   9  18.584   1.047   4.779
   58   HE21  GLN   9          HE21      GLN   9  19.782  -1.190   4.771
   59   HE22  GLN   9          HE22      GLN   9  19.173  -2.372   5.841
   60    HA   HYP  10           HA       HYP  10  18.944   5.309   3.090
   61    HB2  HYP  10           HB2      HYP  10  20.639   4.848   5.383
   62    HB3  HYP  10           HB1      HYP  10  19.745   6.320   4.970
   63    HG   HYP  10           HG       HYP  10  19.230   4.697   7.110
   64   HD22  HYP  10          HD22      HYP  10  18.386   2.837   6.028
   65   HD23  HYP  10          HD21      HYP  10  16.880   3.785   6.109
   66    HD1  HYP  10           HD1      HYP  10  17.633   6.429   5.567
   67    H    CGU  11           HN       GLA  11  19.631   3.943   1.480
   68    HA   CGU  11           HA       GLA  11  21.863   2.919   0.805
   69    HB2  CGU  11           HB2      GLA  11  21.027   1.040   3.040
   70    HB3  CGU  11           HB3      GLA  11  22.477   2.054   3.013
   71    HG   CGU  11           HG       GLA  11  22.707   0.666   0.652
   72    H    LEU  12           HN       LEU  12  18.937   1.131   1.909
   73    HA   LEU  12           HA       LEU  12  18.861  -0.604  -0.375
   74    HB2  LEU  12           HB2      LEU  12  16.774   0.405   1.561
   75    HB3  LEU  12           HB1      LEU  12  16.300  -0.559   0.158
   76    HG   LEU  12           HG       LEU  12  18.444  -1.446   2.101
   77   HD11  LEU  12          HD11      LEU  12  15.968  -1.096   2.978
   78   HD12  LEU  12          HD12      LEU  12  16.869  -2.553   3.398
   79   HD13  LEU  12          HD13      LEU  12  15.677  -2.597   2.099
   80   HD21  LEU  12          HD21      LEU  12  17.488  -3.694   1.051
   81   HD22  LEU  12          HD22      LEU  12  18.695  -2.741   0.188
   82   HD23  LEU  12          HD23      LEU  12  16.993  -2.611  -0.250
   83    H    ILE  13           HN       ILE  13  17.862   2.672   0.241
   84    HA   ILE  13           HA       ILE  13  16.393   3.056  -2.229
   85    HB   ILE  13           HB       ILE  13  16.507   4.380   0.126
   86   HG12  ILE  13          HG12      ILE  13  15.942   5.728  -2.528
   87   HG13  ILE  13          HG11      ILE  13  14.843   4.600  -1.725
   88   HG21  ILE  13          HG21      ILE  13  17.726   6.444  -0.103
   89   HG22  ILE  13          HG22      ILE  13  18.157   6.069  -1.771
   90   HG23  ILE  13          HG23      ILE  13  18.850   5.131  -0.446
   91   HD11  ILE  13          HD11      ILE  13  14.364   6.075  -0.001
   92   HD12  ILE  13          HD12      ILE  13  14.623   7.216  -1.321
   93   HD13  ILE  13          HD13      ILE  13  15.908   6.913  -0.151
   94    H    ARG  14           HN       ARG  14  19.725   3.547  -1.142
   95    HA   ARG  14           HA       ARG  14  20.479   4.887  -3.656
   96    HB2  ARG  14           HB2      ARG  14  21.525   4.878  -1.064
   97    HB3  ARG  14           HB1      ARG  14  22.672   3.902  -1.983
   98    HG2  ARG  14           HG2      ARG  14  22.485   5.835  -3.748
   99    HG3  ARG  14           HG1      ARG  14  21.895   6.776  -2.378
  100    HD2  ARG  14           HD2      ARG  14  24.022   5.698  -1.186
  101    HD3  ARG  14           HD1      ARG  14  24.605   5.608  -2.849
  102    HE   ARG  14           HE       ARG  14  23.703   8.202  -2.649
  103   HH11  ARG  14          HH21      ARG  14  25.113   6.541  -0.064
  104   HH12  ARG  14          HH22      ARG  14  26.393   7.680   0.185
  105   HH21  ARG  14          HH11      ARG  14  25.648   9.540  -2.645
  106   HH22  ARG  14          HH12      ARG  14  26.696   9.377  -1.275
  107    H    CGU  15           HN       GLA  15  21.485   1.963  -1.896
  108    HA   CGU  15           HA       GLA  15  22.771   0.694  -4.052
  109    HB2  CGU  15           HB2      GLA  15  21.253  -1.112  -2.331
  110    HB3  CGU  15           HB3      GLA  15  22.083   0.126  -1.389
  111    HG   CGU  15           HG       GLA  15  23.673  -1.154  -3.544
  112    H    LYS  16           HN       LYS  16  19.525   1.595  -3.512
  113    HA   LYS  16           HA       LYS  16  17.965  -0.418  -4.675
  114    HB2  LYS  16           HB2      LYS  16  17.357   2.046  -3.924
  115    HB3  LYS  16           HB1      LYS  16  17.554   2.392  -5.639
  116    HG2  LYS  16           HG2      LYS  16  15.287   1.829  -5.515
  117    HG3  LYS  16           HG1      LYS  16  16.024   0.291  -5.967
  118    HD2  LYS  16           HD2      LYS  16  15.855  -0.573  -3.778
  119    HD3  LYS  16           HD1      LYS  16  15.628   1.026  -3.070
  120    HE2  LYS  16           HE2      LYS  16  13.426   1.221  -4.022
  121    HE3  LYS  16           HE1      LYS  16  13.646  -0.255  -4.967
  122    HZ1  LYS  16           HZ1      LYS  16  13.729  -1.539  -2.972
  123    HZ2  LYS  16           HZ2      LYS  16  12.336  -0.569  -2.910
  124    HZ3  LYS  16           HZ3      LYS  16  13.708  -0.148  -2.001
  125    H    SER  17           HN       SER  17  19.570   2.213  -6.508
  126    HA   SER  17           HA       SER  17  19.200   0.679  -9.001
  127    HB2  SER  17           HB2      SER  17  18.986   2.831  -9.696
  128    HB3  SER  17           HB1      SER  17  19.800   3.461  -8.267
  129    HG   SER  17           HG       SER  17  21.516   3.647  -9.444
  130    H    ASN  18           HN       ASN  18  21.763   1.587  -6.761
  131    HA   ASN  18           HA       ASN  18  23.933   0.711  -6.541
  132    HB2  ASN  18           HB2      ASN  18  22.470  -1.386  -7.515
  133    HB3  ASN  18           HB1      ASN  18  23.686  -1.200  -8.780
  134   HD21  ASN  18          HD21      ASN  18  23.147  -2.819  -5.925
  135   HD22  ASN  18          HD22      ASN  18  24.761  -3.028  -5.413
  136    HN1  NH2  19           H1       NH2  19  25.184  -0.486  -9.167
  137    HN2  NH2  19           H2       NH2  19  25.625   0.911 -10.042