*HEADER    TOXIN                                   20-MAY-99   1CNN              
*TITLE     OMEGA-CONOTOXIN MVIIC FROM CONUS MAGUS                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OMEGA-CONOTOXIN MVIIC;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MVIIC;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN THE VENOM              
*SOURCE   5 DUCT OF CONUS MAGUS (MAGUS CONE).                                    
*KEYWDS    VOLTAGE-SENSITIVE CALCIUM CHANNEL ANTAGONIST, PEPTIDE                 
*KEYWDS   2 HYBRIDS                                                              
*EXPDTA    NMR, 17 STRUCTURES                                                    
*AUTHOR    K.J.NIELSEN, D.ADAMS, L.THOMAS, T.BOND, P.F.ALEWOOD,                  
*AUTHOR   2 D.J.CRAIK, R.J.LEWIS                                                 
*REVDAT   1   31-MAY-00 1CNN    0                                                

!  NOE table  April '97, (unless stereospec. assigned, L=1)
! 
!residue 1
assign (resid  1  and name HB1  ) (resid   1 and name HA   ) 0 0 3.5 !c s  
assign (resid  1  and name HB2  ) (resid   1 and name HA   ) 0 0 3.5 !c ol   
assign (resid 16  and name HA   ) (resid   1 and name HA   ) 0 0 6.0 !C24 vW 
assign (resid 15  and name HB2  ) (resid   1 and name HB*  ) 0 0 6.0 !C86 W  
assign (resid 16  and name HB1  ) (resid   1 and name HB*  ) 0 0 6.0 !C89 W  
assign (resid 14  and name HB1  ) (resid   1 and name HA   ) 0 0 6.0 !c w    
assign (resid 14  and name HB2  ) (resid   1 and name HA   ) 0 0 6.0 !c vw   

!residue 2
assign (resid  15  and name HA   ) (resid   2 and name HN   ) 0 0 2.7 ! A16 S
assign (resid  14  and name HA   ) (resid   2 and name HN   ) 0 0 6.0 ! A  vW
assign (resid  1  and name HA   ) (resid   2 and name HN   ) 0 0 2.7 ! A17 S
assign (resid  2  and name HA   ) (resid   2 and name HN   ) 0 0 3.5 ! A18 M
assign (resid 16  and name HA   ) (resid   2 and name HN   ) 0 0 5.0 ! A19 W
assign (resid  1  and name HB2   ) (resid   2 and name HN   ) 0 0 5.0 !A21 W
assign (resid  1  and name HB1   ) (resid   2 and name HN   ) 0 0 5.0 ! A20 M-S
assign (resid  15  and name HB1  ) (resid   2 and name HN   ) 0 0 6.0 ! A22 Wv
assign (resid  15  and name HB2  ) (resid   2 and name HN   ) 0 0 6.0 ! A22 Wv
assign (resid  14  and name HB1  ) (resid   2 and name HN   ) 0 0 6.0 ! A22 Wv
assign (resid  14  and name HB2  ) (resid   2 and name HN   ) 0 0 6.0 ! A22 Wv
assign (resid  16  and name HB2  ) (resid   2 and name HN   ) 0 0 6.0 ! A22 Wv
assign (resid  2  and name HE*  ) (resid   2 and name HN   ) 0 0 7.0 ! A  vW
assign (resid  2  and name HB2  ) (resid   2 and name HN   ) 0 0 5.0 ! A   S
assign (resid  2  and name HB1  ) (resid   2 and name HN   ) 0 0 5.0 ! A   W
assign (resid  2  and name HG*  ) (resid   2 and name HN   ) 0 0 4.5 ! A   M 
assign (resid  2  and name HD1  ) (resid   2 and name HN   ) 0 0 6.0 ! A  M (L=1)
assign (resid  2  and name HD2  ) (resid   2 and name HN   ) 0 0 6.0 ! A   vW
assign (resid  15  and name HN   ) (resid   2 and name HN   ) 0 0 5.0 !B5  W 
assign (resid  3   and name HN   ) (resid   2 and name HN   ) 0 0 5.0 !B6  W 
assign (resid  2  and name HB1   ) (resid   2 and name HA   ) 0 0 5.0 !c s     
assign (resid  2  and name HB2   ) (resid   2 and name HA   ) 0 0 5.0 !c w     
assign (resid  2  and name HD1   ) (resid   2 and name HA   ) 0 0 5.0 !c w                         
assign (resid  2  and name HD1   ) (resid   2 and name HA   ) 0 0 5.0 !c w                         
assign (resid  2  and name HD2   ) (resid   2 and name HA   ) 0 0 3.5 !C43 M   
assign (resid  2  and name HG*   ) (resid   2 and name HA   ) 0 0 6.0 !c w     
assign (resid  6  and name HB*   ) (resid   2 and name HA   ) 0 0 7.5 !C39 vW  
assign (resid 14  and name HB*   ) (resid   2 and name HB*  ) 0 0 8.0 !c vw    
assign (resid 14  and name HB*   ) (resid   2 and name HD*  ) 0 0 8.0 !c vw    
assign (resid 15  and name HB1   ) (resid   2 and name HG*  ) 0 0 7.0 !c vw    

!residue 3
assign (resid   2 and name HA   ) (resid   3 and name HN   ) 0 0 2.7 ! A90 S
assign (resid   3 and name HA1  ) (resid   3 and name HN   ) 0 0 3.5 ! A S   
assign (resid   3 and name HA2  ) (resid   3 and name HN   ) 0 0 3.5 ! A M   
assign (resid   6 and name HB*  ) (resid   3 and name HN   ) 0 0 5.0 ! A  M  
assign (resid   2 and name HB1  ) (resid   3 and name HN   ) 0 0 5.0 ! A m   
assign (resid   2 and name HB2  ) (resid   3 and name HN   ) 0 0 5.0 ! A w   
assign (resid   2 and name HD1  ) (resid   3 and name HN   ) 0 0 6.0 ! A vw  
assign (resid   2 and name HD2  ) (resid   3 and name HN   ) 0 0 6.0 ! A vw  
assign (resid   6 and name HN   ) (resid   3 and name HN   ) 0 0 6.0 ! B31 vw
assign (resid   4 and name HN   ) (resid   3 and name HN   ) 0 0 5.0 ! b m-w 
assign (resid  16 and name HB2  ) (resid   3 and name HA1  ) 0 0 6.0 ! c w   
assign (resid  16 and name HB1  ) (resid   3 and name HA1  ) 0 0 6.0 ! c w   
assign (resid  16 and name HB2  ) (resid   3 and name HA2  ) 0 0 6.0 ! c vw  
assign (resid  16 and name HB1  ) (resid   3 and name HA2  ) 0 0 6.0 ! c vw  

!residue 4
assign (resid   3 and name HA1   ) (resid   4 and name HN   ) 0 0 3.5 ! a m      
assign (resid   3 and name HA2   ) (resid   4 and name HN   ) 0 0 3.5 ! a s      
assign (resid   4 and name HA    ) (resid   4 and name HN   ) 0 0 3.5 !A144 M   
assign (resid  26 and name HB1   ) (resid   4 and name HN   ) 0 0 6.0 !A145 vW  
assign (resid  26 and name HB2   ) (resid   4 and name HN   ) 0 0 6.0 !A146 vW  
assign (resid   6 and name HB*   ) (resid   4 and name HN   ) 0 0 7.5 !A vw   W 
assign (resid   4 and name HB2   ) (resid   4 and name HN   ) 0 0 3.5 !A147 S
assign (resid   4 and name HB1   ) (resid   4 and name HN   ) 0 0 3.5 !A148 m
assign (resid   4 and name HG*   ) (resid   4 and name HN   ) 0 0 6.0 !A150 W
assign (resid   4 and name HD*   ) (resid   4 and name HN   ) 0 0 6.0 !a w   
assign (resid   4 and name HE*   ) (resid   4 and name HN   ) 0 0 7.0 !a vw  
assign (resid   6 and name HN    ) (resid   4 and name HN   ) 0 0 6.0 !a vw  
assign (resid   4 and name HB1   ) (resid   4 and name HA   ) 0 0 3.5 !c m     
assign (resid   4 and name HB2   ) (resid   4 and name HA   ) 0 0 3.5 !c m-s   
assign (resid   4 and name HD*   ) (resid   4 and name HA   ) 0 0 6.0 !C78 W   
assign (resid   4 and name HG*   ) (resid   4 and name HA   ) 0 0 6.0 !C79 W   
assign (resid  26 and name HB2   ) (resid   4 and name HA   ) 0 0 2.7 !c s     
assign (resid  26 and name HB1   ) (resid   4 and name HA   ) 0 0 3.5 !c m     

!residue 5
assign (resid  5  and name HA2  ) (resid   5 and name HN   ) 0 0 3.5 ! A34 m  
assign (resid  5  and name HA1  ) (resid   5 and name HN   ) 0 0 3.5 ! A36 s  
assign (resid  4  and name HA   ) (resid   5 and name HN   ) 0 0 2.7 ! A35 S
assign (resid 26  and name HB2  ) (resid   5 and name HN   ) 0 0 3.5 ! A   m
assign (resid 26  and name HB1  ) (resid   5 and name HN   ) 0 0 5.0 ! A   w
assign (resid 26  and name HA   ) (resid   5 and name HN   ) 0 0 6.0 ! A   vW
assign (resid  4  and name HB2  ) (resid   5 and name HN   ) 0 0 5.0 ! A39 W
assign (resid  4  and name HB1  ) (resid   5 and name HN   ) 0 0 5.0 ! A40 W
assign (resid  26 and name H1   ) (resid   5 and name HN   ) 0 0 5.0 ! B15 W
assign (resid  26 and name H2   ) (resid   5 and name HN   ) 0 0 5.0 ! B11 M
assign (resid   4 and name HN   ) (resid   5 and name HN   ) 0 0 5.0 ! B13 W 
assign (resid   6 and name HN   ) (resid   5 and name HN   ) 0 0 2.7 ! B14 S
assign (resid  25 and name HB1  ) (resid   5 and name HA1  ) 0 0 5.0 ! c w   
assign (resid  25 and name HB1  ) (resid   5 and name HA2  ) 0 0 5.0 ! c w  
assign (resid  25 and name HB2  ) (resid   5 and name HA1  ) 0 0 5.0 ! c w  
assign (resid  25 and name HB2  ) (resid   5 and name HA2  ) 0 0 5.0 ! c w  
assign (resid  25 and name HD1  ) (resid   5 and name HA1  ) 0 0 6.0 ! c vw  
assign (resid  25 and name HD1  ) (resid   5 and name HA2  ) 0 0 6.0 ! c vw 
assign (resid  25 and name HD2  ) (resid   5 and name HA1  ) 0 0 6.0 ! c vw 
assign (resid  25 and name HD2  ) (resid   5 and name HA2  ) 0 0 6.0 ! c vw 
assign (resid   4 and name HB1  ) (resid   5 and name HA*  ) 0 0 6.0 ! c w  
assign (resid   4 and name HB2  ) (resid   5 and name HA*  ) 0 0 6.0 ! c w  

!residue 6
assign (resid  6  and name HA   ) (resid   6 and name HN   ) 0 0 3.5 !A160 M     
assign (resid  5  and name HA1  ) (resid   6 and name HN   ) 0 0 5.0 !A W   
assign (resid  5  and name HA2  ) (resid   6 and name HN   ) 0 0 5.0 !A w
assign (resid  4  and name HA   ) (resid   6 and name HN   ) 0 0 5.0 !A167 W 
assign (resid  25 and name HA   ) (resid   6 and name HN   ) 0 0 7.0 !a vw  
assign (resid  26 and name HB2  ) (resid   6 and name HN   ) 0 0 3.5 !a m   
assign (resid  26 and name HB1  ) (resid   6 and name HN   ) 0 0 5.0 !a w   
assign (resid   6 and name HB*  ) (resid   6 and name HN   ) 0 0 3.7 !A176 S    
assign (resid   6 and name HG*  ) (resid   6 and name HN   ) 0 0 4.5 !A177 M    
assign (resid  4  and name HG*  ) (resid   6 and name HN   ) 0 0 6.0 !a w     
assign (resid  7  and name HD1  ) (resid   6 and name HA   ) 0 0 2.7 !c s        
assign (resid  7  and name HD2  ) (resid   6 and name HA   ) 0 0 2.7 !c s        
assign (resid  6  and name HB*  ) (resid   6 and name HA   ) 0 0 4.2 !c s        

!residue 7
assign (resid   7 and name HB1  ) (resid   7 and name HA   ) 0 0 5.0 !c S   
assign (resid   7 and name HB2  ) (resid   7 and name HA   ) 0 0 5.0 !c w   
assign (resid   8 and name HB1  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid   8 and name HB2  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid   7 and name HD1  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid   7 and name HD2  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid  25 and name HD1  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid  25 and name HD2  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid  25 and name HB1  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid  25 and name HB2  ) (resid   7 and name HA   ) 0 0 6.0 !c vw  
assign (resid  25 and name HG*  ) (resid   7 and name HA   ) 0 0 6.0 !c w   
assign (resid   7 and name HD1  ) (resid   7 and name HG*  ) 0 0 3.7 !c s   
assign (resid   7 and name HD2  ) (resid   7 and name HG*  ) 0 0 3.7 !c s   
assign (resid   7 and name HB1  ) (resid   7 and name HG*  ) 0 0 4.5 !c m   
assign (resid   7 and name HB2  ) (resid   7 and name HG*  ) 0 0 4.5 !c m   
assign (resid   6 and name HB*  ) (resid   7 and name HD1  ) 0 0 5.0 !c m   
assign (resid   6 and name HB*  ) (resid   7 and name HD2  ) 0 0 5.0 !c m   

!residue 8
assign (resid  25 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 ! A87  M
assign (resid   8 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 ! A88  M
assign (resid   7 and name HA   ) (resid   8 and name HN   ) 0 0 2.7 ! A89  S
assign (resid   7 and name HG   ) (resid   8 and name HN   ) 0 0 6.0 ! a vw  
assign (resid  24 and name HA1  ) (resid   8 and name HN   ) 0 0 5.0 ! A93  W  
assign (resid  24 and name HA2  ) (resid   8 and name HN   ) 0 0 5.0 ! A96  W 
assign (resid  8  and name HB2  ) (resid   8 and name HN   ) 0 0 5.0 !a m   
assign (resid  8  and name HB1  ) (resid   8 and name HN   ) 0 0 5.0 !a w     
assign (resid 26  and name HB1   ) (resid   8 and name HN   ) 0 0 6.0 !A vw    
assign (resid 25  and name HB1   ) (resid   8 and name HN   ) 0 0 6.0 !A vw    
assign (resid 25  and name HB2   ) (resid   8 and name HN   ) 0 0 6.0 !A vw    
assign (resid 25  and name HG*   ) (resid   8 and name HN   ) 0 0 7.0 !A vw  
assign (resid 25  and name HD1   ) (resid   8 and name HN   ) 0 0 6.0 !A vw  
assign (resid 25  and name HD2   ) (resid   8 and name HN   ) 0 0 6.0 !A vw  
assign (resid  7  and name HB1   ) (resid   8 and name HN   ) 0 0 5.0 !A w     
assign (resid  7  and name HB2   ) (resid   8 and name HN   ) 0 0 5.0 !A w      
assign (resid   8 and name HB2  ) (resid   8 and name HA   ) 0 0 3.5 !c m-s  
assign (resid   8 and name HB1  ) (resid   8 and name HA   ) 0 0 3.5 !c s    
assign (resid  14 and name HB1  ) (resid   8 and name HA   ) 0 0 5.0 !C11 W  
assign (resid  14 and name HB2  ) (resid   8 and name HA   ) 0 0 5.0 !C12 W   
assign (resid  20 and name HB*  ) (resid   8 and name HA   ) 0 0 6.0 !c w     
!assign (resid   9/2 and name HB*  ) (resid   8 and name HA   ) 0 0 7.0 !c vw    
!assign (resid   9/2 and name HD1  ) (resid   8 and name HA   ) 0 0 6.0 !c vw    
!assign (resid   9/2 and name HD2  ) (resid   8 and name HA   ) 0 0 6.0 !c vw    
assign (resid  14 and name HB1  ) (resid   8 and name HB2  ) 0 0 5.0 !C89 W  
assign (resid  14 and name HB2  ) (resid   8 and name HB2  ) 0 0 5.0 !C90 W  
assign (resid  14 and name HB1  ) (resid   8 and name HB1  ) 0 0 5.0 !C91 W  
assign (resid  14 and name HB2  ) (resid   8 and name HB1  ) 0 0 5.0 !C92 W  

!residue 9
assign (resid  8  and name HA    ) (resid   9 and name HN   ) 0 0 2.7 ! A109 M   
assign (resid  9  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 ! A112 M
assign (resid 14  and name HB1   ) (resid   9 and name HN   ) 0 0 6.0 ! A117 vW
assign (resid 14  and name HB2   ) (resid   9 and name HN   ) 0 0 6.0 ! A117b W
assign (resid  9  and name HB*   ) (resid   9 and name HN   ) 0 0 4.5 ! A121 M
assign (resid  9  and name HG*   ) (resid   9 and name HN   ) 0 0 4.5 ! A122 M
assign (resid  8  and name HB2   ) (resid   9 and name HN   ) 0 0 2.7 ! A116 S ol
assign (resid  8  and name HB1   ) (resid   9 and name HN   ) 0 0 3.5 ! A117 M ol
assign (resid  9  and name HH**  ) (resid   9 and name HN   ) 0 0 5.0 ! b w   
assign (resid 12  and name HG*   ) (resid   9 and name HH** ) 0 0 8.0 !a vw   
assign (resid  9  and name HB*   ) (resid   9 and name HH** ) 0 0 7.0 !a w    
assign (resid  9  and name HG*   ) (resid   9 and name HH** ) 0 0 5.5 !a m    
assign (resid  9  and name HG*   ) (resid   9 and name HA   ) 0 0 4.5 !C57 M 
assign (resid  9  and name HB*   ) (resid   9 and name HA   ) 0 0 3.7 !c s   
assign (resid 12  and name HG1   ) (resid   9 and name HD*  ) 0 0 6.0 !c w   
assign (resid 12  and name HG2   ) (resid   9 and name HD*  ) 0 0 6.0 !c w   
assign (resid 12  and name HG1   ) (resid   9 and name HG*  ) 0 0 6.0 !c w   
assign (resid 12  and name HG2   ) (resid   9 and name HG*  ) 0 0 6.0 !c w   
assign (resid 12  and name HG1   ) (resid   9 and name HB*  ) 0 0 6.0 !c w   
assign (resid 12  and name HG2   ) (resid   9 and name HB*  ) 0 0 6.0 !c w   

!residue 10
assign (resid  9  and name HA     ) (resid   10 and name HN   ) 0 0 2.7 !A s   
assign (resid  10 and name HA     ) (resid   10 and name HN   ) 0 0 3.5 ! A45 M
assign (resid   8 and name HA     ) (resid   10 and name HN   ) 0 0 6.0 ! a vw
assign (resid  10  and name HB*   ) (resid   10 and name HN   ) 0 0 3.7 !A  s 
assign (resid  10  and name HG*   ) (resid   10 and name HN   ) 0 0 6.0 !A  w 
assign (resid  10  and name HD1   ) (resid   10 and name HN   ) 0 0 6.0 !A vw 
assign (resid  10  and name HD2   ) (resid   10 and name HN   ) 0 0 6.0 !A vw 
assign (resid  11  and name HG2*  ) (resid   10 and name HN   ) 0 0 7.5 !A51 vW
assign (resid   9  and name HN     ) (resid   10 and name HN   ) 0 0 5.0 ! B17 W-M
assign (resid  11  and name HN     ) (resid   10 and name HN   ) 0 0 3.5 ! B  m-s 
assign (resid  20  and name HB1   ) (resid   10 and name HA   ) 0 0 2.7 !c s   
assign (resid  20  and name HB2   ) (resid   10 and name HA   ) 0 0 5.0 !c w   
assign (resid  20  and name HB1   ) (resid   10 and name HB*  ) 0 0 6.0 !c w   
assign (resid  10  and name HB*   ) (resid   10 and name HA   ) 0 0 4.5 !c m   
assign (resid  10  and name HG*   ) (resid   10 and name HA   ) 0 0 6.0 !c w     
assign (resid  10  and name HD1   ) (resid   10 and name HA   ) 0 0 6.0 !c vw    
assign (resid  10  and name HD2   ) (resid   10 and name HA   ) 0 0 6.0 !c vw    
assign (resid  11  and name HG2*  ) (resid   10 and name HA   ) 0 0 7.5 !c vw    

!residue 11
assign (resid  11  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !A163 M
assign (resid  10  and name HA    ) (resid   11 and name HN   ) 0 0 5.0 !A164 M
assign (resid   9  and name HA    ) (resid   11 and name HN   ) 0 0 6.0 !a vw  
assign (resid  10  and name HB*   ) (resid   11 and name HN   ) 0 0 6.0 !A178 W
assign (resid  10  and name HD1   ) (resid   11 and name HN   ) 0 0 5.0 !a w   
assign (resid  10  and name HD2   ) (resid   11 and name HN   ) 0 0 5.0 !a w   
assign (resid  11  and name HG2*  ) (resid   11 and name HN   ) 0 0 5.0 !a m   
assign (resid  11  and name HB    ) (resid   11 and name HN   ) 0 0 5.0 !a w   
assign (resid  12  and name HN    ) (resid   11 and name HN   ) 0 0 3.5 !B44 M 
assign (resid  11  and name HB    ) (resid   11 and name HA   ) 0 0 3.5 !c m   
assign (resid  11  and name HB    ) (resid   11 and name HG2* ) 0 0 4.2 !c s   
assign (resid  11  and name HA    ) (resid   11 and name HG2* ) 0 0 5.0 !c m   
assign (resid  14  and name HB1   ) (resid   11 and name HB   ) 0 0 6.0 !c vw  
assign (resid  14  and name HB2   ) (resid   11 and name HB   ) 0 0 6.0 !c w  

!residue 12
assign (resid  12  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !A184 M
assign (resid  11  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !A185 M
assign (resid  10  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !A186 W
assign (resid  12  and name HB*  ) (resid   12 and name HN   ) 0 0 4.5 !a m   
assign (resid  10  and name HD*  ) (resid   12 and name HN   ) 0 0 7.0 !a vw    
assign (resid  11  and name HG2* ) (resid   12 and name HN   ) 0 0 6.5 !a w     
assign (resid  12  and name HB*  ) (resid   12 and name HA   ) 0 0 4.5 !C49 M 
assign (resid  12  and name HG1  ) (resid   12 and name HA   ) 0 0 5.0 !c w  
assign (resid  12  and name HG2  ) (resid   12 and name HA   ) 0 0 5.0 !c w  

!residue 13
assign (resid  13  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !A141 M
assign (resid  12  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !A142 M
assign (resid  12  and name HN   ) (resid   13 and name HN   ) 0 0 3.5 !b m    
assign (resid  11  and name HA   ) (resid   13 and name HN   ) 0 0 5.0 !A136 W
assign (resid  12  and name HB*  ) (resid   13 and name HN   ) 0 0 4.5 !a m   
assign (resid  12  and name HG*  ) (resid   13 and name HN   ) 0 0 7.0 !a vw  
assign (resid  13  and name HB1  ) (resid   13 and name HN   ) 0 0 5.0 !A w     
assign (resid  13  and name HB2  ) (resid   13 and name HN   ) 0 0 3.5 !A m     
assign (resid  11  and name HD** ) (resid   13 and name HN   ) 0 0 9.0 !A vw    
assign (resid  12  and name HN   ) (resid   13 and name HN   ) 0 0 3.5 !B42 M 
assign (resid  14  and name HN   ) (resid   13 and name HN   ) 0 0 3.5 !B41 OL
assign (resid  13  and name HD*  ) (resid   13 and name HN   ) 0 0 5.5 !B43 M 
assign (resid  13  and name HE*  ) (resid   13 and name HN   ) 0 0 7.0 !B w   
assign (resid  13  and name HA   ) (resid   13 and name HD*  ) 0 0 5.5 !A m   
assign (resid  12  and name HA   ) (resid   13 and name HD*  ) 0 0 8.0 !a vw  
assign (resid  11  and name HA   ) (resid   13 and name HD*  ) 0 0 8.0 !a vw  
assign (resid  13  and name HB2  ) (resid   13 and name HD*  ) 0 0 4.7 !a s   
assign (resid  13  and name HB1  ) (resid   13 and name HD*  ) 0 0 5.5 !a m   
assign (resid  13  and name HB2  ) (resid   13 and name HE*  ) 0 0 7.0 !a w    
assign (resid  13  and name HB1  ) (resid   13 and name HE*  ) 0 0 7.0 !a w    
assign (resid  12  and name HA   ) (resid   13 and name HE*  ) 0 0 8.0 !A228 vW
assign (resid  11  and name HA   ) (resid   13 and name HE*  ) 0 0 7.0 !a w    
assign (resid  11  and name HD** ) (resid   13 and name HE*  ) 0 0 9.0 !A232 vW
assign (resid  11  and name HD** ) (resid   13 and name HD*  ) 0 0 9.0 !A232 vW
assign (resid  12  and name HB*  ) (resid   13 and name HD*  ) 0 0 8.0 !a w    
assign (resid  12  and name HB*  ) (resid   13 and name HE*  ) 0 0 9.0 !a w    
assign (resid  12  and name HG1  ) (resid   13 and name HD*  ) 0 0 8.0 !a vw   
assign (resid  12  and name HG2  ) (resid   13 and name HD*  ) 0 0 8.0 !a vw   
assign (resid  13  and name HB2  ) (resid   13 and name HA   ) 0 0 5.0 !c w    
assign (resid  13  and name HB1  ) (resid   13 and name HA   ) 0 0 3.5 !c ol   

!residue 14
assign (resid  14  and name HA   ) (resid   14 and name HN   ) 0 0 3.5 !A159 M
assign (resid  13  and name HA   ) (resid   14 and name HN   ) 0 0 3.5 !A158 M
assign (resid  12  and name HB1  ) (resid   14 and name HN   ) 0 0 6.0 !A165 W
assign (resid  12  and name HB2  ) (resid   14 and name HN   ) 0 0 6.0 !A166 vW
assign (resid  13  and name HB1  ) (resid   14 and name HN   ) 0 0 5.0 !a w    
assign (resid  14  and name HB1  ) (resid   14 and name HN   ) 0 0 5.0 !a w   
assign (resid  14  and name HB2  ) (resid   14 and name HN   ) 0 0 5.0 !a m   
assign (resid  14  and name HB1  ) (resid   14 and name HA   ) 0 0 5.0 !c m-w 
assign (resid  14  and name HB2  ) (resid   14 and name HA   ) 0 0 5.0 !c s   

!residue 15
assign (resid  15  and name HA   ) (resid   15 and name HN   ) 0 0 3.5 ! A m  
assign (resid  14  and name HA   ) (resid   15 and name HN   ) 0 0 5.0 ! A w  
assign (resid  13  and name HA   ) (resid   15 and name HN   ) 0 0 5.0 ! A w  
assign (resid  15  and name HB2  ) (resid   15 and name HN   ) 0 0 3.5 !a m-s 
assign (resid  15  and name HB1  ) (resid   15 and name HN   ) 0 0 5.0 !a w   
assign (resid  14  and name HB2  ) (resid   15 and name HN   ) 0 0 5.0 !a w   
assign (resid  14  and name HB1  ) (resid   15 and name HN   ) 0 0 5.0 !a w   L
assign (resid  20  and name HB2  ) (resid   15 and name HN   ) 0 0 6.0 ! A62 vW
assign (resid  14  and name HN   ) (resid   15 and name HN   ) 0 0 2.7 !B23 S 
assign (resid   2  and name HB1  ) (resid   15 and name HA   ) 0 0 5.0 !c w   
assign (resid   2  and name HB2  ) (resid   15 and name HA   ) 0 0 5.0 !c w   
assign (resid  15  and name HB2  ) (resid   15 and name HA   ) 0 0 3.5 !c m-s 
assign (resid  15  and name HB1  ) (resid   15 and name HA   ) 0 0 5.0 !c w   
assign (resid  17  and name HB1  ) (resid   15 and name HA   ) 0 0 6.0 !c vw  
assign (resid  17  and name HB2  ) (resid   15 and name HA   ) 0 0 6.0 !c vw  
assign (resid   8  and name HB2  ) (resid   15 and name HA   ) 0 0 6.0 !c vw  
assign (resid   1  and name HB1  ) (resid   15 and name HA   ) 0 0 5.0 !c w   
assign (resid   1  and name HB2  ) (resid   15 and name HA   ) 0 0 5.0 !c w   

! residue 16
assign (resid  15  and name HA   ) (resid   16 and name HN   ) 0 0 2.7 ! A1 S
assign (resid   1  and name HA    ) (resid  16 and name HN   ) 0 0 6.0 ! A2 VW
assign (resid   2  and name HA    ) (resid  16 and name HN   ) 0 0 6.0 ! A3 VW
assign (resid   3  and name HA1  ) (resid   16 and name HN   ) 0 0 6.0 ! A5 VW
assign (resid   3  and name HA2  ) (resid   16 and name HN   ) 0 0 6.0 ! A5 VW
assign (resid   16 and name HA   ) (resid   16 and name HN   ) 0 0 3.5 ! A4 M
assign (resid   16 and name HB1  ) (resid   16 and name HN   ) 0 0 3.5 ! A7 OL
assign (resid   16 and name HB2  ) (resid   16 and name HN   ) 0 0 3.5 ! A10M
assign (resid   15 and name HB1  ) (resid   16 and name HN   ) 0 0 5.0 ! A  W
assign (resid   15 and name HB2  ) (resid   16 and name HN   ) 0 0 5.0 ! A  W
assign (resid   1  and name HB*  ) (resid   16 and name HN   ) 0 0 6.0 ! A  W
assign (resid    2 and name HB*  ) (resid   16 and name HN   ) 0 0 6.0 ! A12 W
assign (resid    2 and name HN   ) (resid   16 and name HN   ) 0 0 3.5 ! B1 M
assign (resid   17 and name HN   ) (resid   16 and name HN   ) 0 0 3.5 ! B2 M
assign (resid   16 and name HB2  ) (resid   16 and name HA   ) 0 0 5.0 !c s  
assign (resid   16 and name HB1  ) (resid   16 and name HA   ) 0 0 2.7 !c w  
assign (resid    1 and name HB*  ) (resid   16 and name HA   ) 0 0 4.5 !c m 

!residue 17
assign (resid  15  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 ! A110 W
assign (resid   7  and name HG   ) (resid   17 and name HN   ) 0 0 6.0 ! a vw   
assign (resid  17  and name HA   ) (resid   17 and name HN   ) 0 0 3.5 ! A102b M
assign (resid  16  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 ! a w    
assign (resid  18  and name HA1  ) (resid   17 and name HN   ) 0 0 6.0 ! a vw   
assign (resid  18  and name HA2  ) (resid   17 and name HN   ) 0 0 6.0 ! a vw   
assign (resid  17  and name HB1  ) (resid   17 and name HN   ) 0 0 3.5 ! a m    
assign (resid  17  and name HB2  ) (resid   17 and name HN   ) 0 0 3.5 ! a m    
assign (resid  16  and name HB2  ) (resid   17 and name HN   ) 0 0 2.7 ! a s   
assign (resid  16  and name HB1  ) (resid   17 and name HN   ) 0 0 5.0 ! a w   
assign (resid  15  and name HB2  ) (resid   17 and name HN   ) 0 0 3.5 ! A m
assign (resid  15  and name HB1  ) (resid   17 and name HN   ) 0 0 3.5 ! A m   
assign (resid  18  and name HN   ) (resid   17 and name HN   ) 0 0 3.5 !B31 M
assign (resid  17  and name HB1  ) (resid   17 and name HA   ) 0 0 3.5 !c m    
assign (resid  17  and name HB2  ) (resid   17 and name HA   ) 0 0 3.5 !c m    
assign (resid  18  and name HA1   ) (resid   17 and name HA   ) 0 0 6.0 !C30 vW  
assign (resid  18  and name HA2   ) (resid   17 and name HA   ) 0 0 6.0 !C31 vW  
assign (resid  15  and name HB1   ) (resid   17 and name HB1  ) 0 0 6.0 !c vw    
assign (resid  15  and name HB2   ) (resid   17 and name HB1  ) 0 0 6.0 !c vw    
assign (resid  15  and name HB*   ) (resid   17 and name HB2  ) 0 0 7.0 !c vw    

!residue 18
assign (resid  17  and name HA    ) (resid   18 and name HN   ) 0 0 3.5 ! a  s-m   
assign (resid  18  and name HA1   ) (resid   18 and name HN   ) 0 0 3.5 ! A77 S
assign (resid  18  and name HA2   ) (resid   18 and name HN   ) 0 0 3.5 ! A73 M-S
assign (resid  17  and name HB*   ) (resid   18 and name HN   ) 0 0 4.5 ! A77a M
assign (resid  15  and name HB1   ) (resid   18 and name HN   ) 0 0 6.0 ! A77c W
assign (resid  15  and name HB2   ) (resid   18 and name HN   ) 0 0 6.0 ! A77c vW
assign (resid  19  and name HN    ) (resid   18 and name HN   ) 0 0 5.0 ! b w    

!residue 19
assign (resid  19  and name HA    ) (resid   19 and name HN   ) 0 0 3.5 ! A111 M
assign (resid  17  and name HA    ) (resid   19 and name HN   ) 0 0 5.0 ! a w   
assign (resid  18  and name HA1   ) (resid   19 and name HN   ) 0 0 3.5 !A m   
assign (resid  18  and name HA2   ) (resid   19 and name HN   ) 0 0 3.5 !A s  
assign (resid  19  and name HB*   ) (resid   19 and name HN   ) 0 0 4.5 !A115 M
assign (resid  15  and name HB1   ) (resid   19 and name HN   ) 0 0 5.0 !a w   
assign (resid  15  and name HB2   ) (resid   19 and name HN   ) 0 0 6.0 !a vw   
assign (resid  19  and name HB2   ) (resid   19 and name HA   ) 0 0 3.5 !c m     
assign (resid  19  and name HB1   ) (resid   19 and name HA   ) 0 0 3.5 !c m    
!assign (resid  20  and name HB*   ) (resid   19/26 and name HA   ) 0 0 5.0 !C35 W  

!residue 20
assign (resid  19  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! A29 M
assign (resid  20  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! A28 M
assign (resid  19  and name HB1  ) (resid   20 and name HN   ) 0 0 5.0 ! A   M
assign (resid  19  and name HB2  ) (resid   20 and name HN   ) 0 0 5.0 ! A   s 
assign (resid  20  and name HB2  ) (resid   20 and name HN   ) 0 0 3.5 ! A m-s
assign (resid  20  and name HB1  ) (resid   20 and name HN   ) 0 0 2.7 ! A s  
assign (resid  10  and name HA   ) (resid   20 and name HN   ) 0 0 5.0 ! A w    
assign (resid  21  and name HN   ) (resid   20 and name HN   ) 0 0 5.0 ! b OL 
assign (resid  15  and name HN   ) (resid   20 and name HN   ) 0 0 6.0 ! b w  
assign (resid  19  and name HN   ) (resid   20 and name HN   ) 0 0 5.0 !B9  W 
assign (resid  20  and name HB1  ) (resid   20 and name HA   ) 0 0 5.0 !c w   
assign (resid  20  and name HB2  ) (resid   20 and name HA   ) 0 0 3.5 !c m   
assign (resid   8  and name HB2  ) (resid   20 and name HA   ) 0 0 6.0 !C22 VW
assign (resid   8  and name HB2  ) (resid   20 and name HB2  ) 0 0 5.0 !c     
assign (resid   8  and name HB1  ) (resid   20 and name HB2  ) 0 0 5.0 !c     
assign (resid   8  and name HB2  ) (resid   20 and name HB1  ) 0 0 5.0 !c     
assign (resid   8  and name HB1  ) (resid   20 and name HB1  ) 0 0 5.0 !c     
assign (resid  26  and name HA   ) (resid   20 and name HA   ) 0 0 5.0 !c w         

!residue 21
assign (resid  26  and name HA   ) (resid   21 and name HN   ) 0 0 3.5 ! a m    
assign (resid  25  and name HA   ) (resid   21 and name HN   ) 0 0 6.0 ! a vw   
assign (resid  20  and name HA   ) (resid   21 and name HN   ) 0 0 2.7 ! A153 S
assign (resid  20  and name HN   ) (resid   21 and name HN   ) 0 0 5.0 ! a w   
assign (resid  21  and name HA1  ) (resid   21 and name HN   ) 0 0 3.5 ! A155 S
assign (resid  21  and name HA2  ) (resid   21 and name HN   ) 0 0 3.5 ! A156 M
assign (resid  20  and name HB1  ) (resid   21 and name HN   ) 0 0 6.0 ! A vw  
assign (resid  20  and name HB2  ) (resid   21 and name HN   ) 0 0 6.0 ! A vw  
assign (resid  26  and name HB2  ) (resid   21 and name HN   ) 0 0 6.0 ! A vw  
assign (resid  26  and name HB1  ) (resid   21 and name HN   ) 0 0 6.0 ! A vw  
assign (resid  10  and name HD*  ) (resid   21 and name HN   ) 0 0 7.0 ! A vw  
assign (resid  10  and name HG*  ) (resid   21 and name HN   ) 0 0 7.0 ! A vw  


! residue 22
assign (resid  21  and name HA1  ) (resid   22 and name HN   ) 0 0 3.5 ! A m 
assign (resid  21  and name HA2  ) (resid   22 and name HN   ) 0 0 3.5 ! A m 
assign (resid  22  and name HA   ) (resid   22 and name HN   ) 0 0 3.5 ! A m    L
assign (resid  23  and name HA   ) (resid   22 and name HN   ) 0 0 6.0 ! A54 vW
assign (resid  22  and name HD*  ) (resid   22 and name HN   ) 0 0 6.0 ! A55 W
assign (resid  22  and name HB*  ) (resid   22 and name HN   ) 0 0 3.7 ! A  s 
assign (resid  22  and name HG*  ) (resid   22 and name HN   ) 0 0 4.5 ! A57 M
assign (resid  23  and name HN   ) (resid   22 and name HN   ) 0 0 2.7 !b s   
assign (resid  24  and name HN   ) (resid   22 and name HN   ) 0 0 5.0 ! B23 W
assign (resid  21  and name HN   ) (resid   22 and name HN   ) 0 0 5.0 ! B24 M
assign (resid  21  and name HH** ) (resid   22 and name HN   ) 0 0 6.0 ! B w  
assign (resid  22  and name HB*  ) (resid   22 and name HH** ) 0 0 7.0 ! a w  
assign (resid  22  and name HG*  ) (resid   22 and name HH** ) 0 0 7.0 ! a w  
assign (resid  22  and name HB*  ) (resid   22 and name HA   ) 0 0 3.7 ! C68 S 
assign (resid  22  and name HG*  ) (resid   22 and name HA   ) 0 0 4.5 ! c m   
assign (resid  22  and name HD*  ) (resid   22 and name HA   ) 0 0 7.0 ! c vw  

!residue 23
assign (resid  23  and name HA    ) (resid   23 and name HN   ) 0 0 3.5 ! A123  M
assign (resid  21  and name HA*   ) (resid   23 and name HN   ) 0 0 6.0 ! A w    
assign (resid  22  and name HA    ) (resid   23 and name HN   ) 0 0 5.0 ! a w    
assign (resid  23  and name HD*   ) (resid   23 and name HN   ) 0 0 7.0 ! A vw   
assign (resid  23  and name HB1   ) (resid   23 and name HN   ) 0 0 5.0 ! a s    
assign (resid  23  and name HB2   ) (resid   23 and name HN   ) 0 0 5.0 ! a w     
assign (resid  23  and name HG*   ) (resid   23 and name HN   ) 0 0 4.5 ! a m    
assign (resid  22  and name HB*   ) (resid   23 and name HN   ) 0 0 6.0 ! a w    
assign (resid  24  and name HN    ) (resid   23 and name HN   ) 0 0 3.5 ! b m    
assign (resid  25  and name HN    ) (resid   23 and name HN   ) 0 0 5.0 ! b w    
assign (resid  23  and name HB1   ) (resid   23 and name HH** ) 0 0 7.0 ! a w    
assign (resid  23  and name HB2   ) (resid   23 and name HH** ) 0 0 7.0 ! a w    
assign (resid  23  and name HG*   ) (resid   23 and name HH** ) 0 0 7.0 ! a w    
assign (resid  23  and name HG*   ) (resid   23 and name HA   ) 0 0 6.0 ! c w    
assign (resid  23  and name HB1   ) (resid   23 and name HA   ) 0 0 3.5 ! c OL   
assign (resid  23  and name HB2   ) (resid   23 and name HA   ) 0 0 3.5 ! c m-s  

!residue 24
assign (resid  24  and name HA1  ) (resid   24 and name HN   ) 0 0 3.5 ! A130 M
assign (resid  24  and name HA2  ) (resid   24 and name HN   ) 0 0 3.5 ! A135 M
assign (resid  23  and name HA   ) (resid   24 and name HN   ) 0 0 5.0 ! A w   
assign (resid  21  and name HA1  ) (resid   24 and name HN   ) 0 0 6.0 ! A w   
assign (resid  21  and name HA2  ) (resid   24 and name HN   ) 0 0 6.0 ! A vw  
assign (resid  23  and name HB*  ) (resid   24 and name HN   ) 0 0 7.0 ! a vw  
assign (resid  22  and name HB*  ) (resid   24 and name HN   ) 0 0 7.0 ! A139 vW
assign (resid  25  and name HN   ) (resid   24 and name HN   ) 0 0 2.7 ! B39 S  
assign (resid  21  and name HN   ) (resid   24 and name HN   ) 0 0 5.0 ! B40 W  

! residue 25
assign (resid  25  and name HA   ) (resid   25 and name HN   ) 0 0 3.5 !A194 M
assign (resid   7  and name HA   ) (resid   25 and name HN   ) 0 0 6.0 !A196 vW
assign (resid  21  and name HA*  ) (resid   25 and name HN   ) 0 0 7.0 !a vw   
assign (resid  23  and name HA   ) (resid   25 and name HN   ) 0 0 6.0 !A199 vW
assign (resid  23  and name HD1  ) (resid   25 and name HN   ) 0 0 6.0 !a vw   
assign (resid  23  and name HD2  ) (resid   25 and name HN   ) 0 0 6.0 !a vw   
assign (resid  24  and name HA1  ) (resid   25 and name HN   ) 0 0 5.0 !a w   
assign (resid  24  and name HA2  ) (resid   25 and name HN   ) 0 0 5.0 !a w    
assign (resid  25  and name HB1  ) (resid   25 and name HN   ) 0 0 5.0 !a w   
assign (resid  25  and name HB2  ) (resid   25 and name HN   ) 0 0 5.0 !a m   
assign (resid  25  and name HG*  ) (resid   25 and name HN   ) 0 0 6.0 !a w   
assign (resid  25  and name HG*  ) (resid   25 and name HN   ) 0 0 6.0 !a w   
assign (resid  25  and name HD1  ) (resid   25 and name HN   ) 0 0 6.0 !a w   
assign (resid  25  and name HD2  ) (resid   25 and name HN   ) 0 0 6.0 !a vw   
assign (resid  25  and name HD*  ) (resid   25 and name HZ*  ) 0 0 8.5 !a vw   
assign (resid  25  and name HB1  ) (resid   25 and name HZ*  ) 0 0 8.5 !a vvw   
assign (resid  25  and name HB2  ) (resid   25 and name HZ*  ) 0 0 6.5 !a w   
assign (resid  7  and name HA    ) (resid   25 and name HA   ) 0 0 3.5 !C1 M  
assign (resid  7  and name HB1   ) (resid   25 and name HA   ) 0 0 6.0 !c vw  
assign (resid  7  and name HB2   ) (resid   25 and name HA   ) 0 0 6.0 !C vw  
assign (resid  25  and name HD1   ) (resid   25 and name HA   ) 0 0 5.0 !C3 W  
assign (resid  25  and name HD2   ) (resid   25 and name HA   ) 0 0 5.0 !C3 W  
assign (resid  25  and name HB1   ) (resid   25 and name HA   ) 0 0 5.0 !c S   
assign (resid  25  and name HB2   ) (resid   25 and name HA   ) 0 0 5.0 !c w   
assign (resid  25  and name HG*   ) (resid   25 and name HA   ) 0 0 6.0 !c w   
assign (resid   5  and name HA*   ) (resid   25 and name HA   ) 0 0 7.0 !c w   
assign (resid   8  and name HB1   ) (resid   25 and name HA   ) 0 0 6.0 !c vw  
assign (resid   8  and name HB2   ) (resid   25 and name HA   ) 0 0 6.0 !c vw  
assign (resid  26  and name HB1   ) (resid   25 and name HA   ) 0 0 6.0 !c vw  
assign (resid  26  and name HB2   ) (resid   25 and name HA   ) 0 0 6.0 !c vw  

!residue 26
assign (resid  25  and name HA   ) (resid   26 and name HN   ) 0 0 2.7 ! A68 S 
assign (resid  26  and name HA   ) (resid   26 and name HN   ) 0 0 3.5 ! A71 M
assign (resid  21  and name HN   ) (resid   26 and name HN   ) 0 0 5.0 ! b w   
assign (resid  20  and name HA   ) (resid   26 and name HN   ) 0 0 6.0 ! A70 vW
assign (resid   8  and name HA   ) (resid   26 and name HN   ) 0 0 6.0 ! A70 vW
assign (resid   7  and name HA   ) (resid   26 and name HN   ) 0 0 5.0 ! A   W 
assign (resid   5  and name HA*  ) (resid   26 and name HN   ) 0 0 7.0 ! A  vW  
assign (resid   4  and name HA   ) (resid   26 and name HN   ) 0 0 5.0 ! A76  W
assign (resid  25  and name HB1  ) (resid   26 and name HN   ) 0 0 3.5 ! A78 S
assign (resid  25  and name HB2  ) (resid   26 and name HN   ) 0 0 3.5 ! A79 M
assign (resid   8  and name HB1  ) (resid   26 and name HN   ) 0 0 6.0 ! A80 W
assign (resid   8  and name HB2  ) (resid   26 and name HN   ) 0 0 6.0 ! A  vW
assign (resid  25  and name HG*  ) (resid   26 and name HN   ) 0 0 6.0 ! A  W  
assign (resid  25  and name HD1  ) (resid   26 and name HN   ) 0 0 6.0 ! A  vW 
assign (resid  25  and name HD2  ) (resid   26 and name HN   ) 0 0 6.0 ! A  vW 
assign (resid  25  and name HB1  ) (resid   26 and name HN   ) 0 0 3.5 ! A S 
assign (resid  25  and name HB2  ) (resid   26 and name HN   ) 0 0 3.5 ! A M  
assign (resid   6  and name HN   ) (resid   26 and name HN   ) 0 0 2.7 ! B26 S
assign (resid   5  and name HN   ) (resid   26 and name HN   ) 0 0 3.5 ! b m  
assign (resid  8   and name HN   ) (resid   26 and name HN   ) 0 0 5.0 ! B28 W
assign (resid  26  and name HB2  ) (resid   26 and name HA   ) 0 0 3.5 !c m   
assign (resid  26  and name HB1  ) (resid   26 and name HA   ) 0 0 2.7 !c s   
assign (resid  20  and name HB1   ) (resid   26 and name HA   ) 0 0 5.0 !c w    
assign (resid  20  and name HB2   ) (resid   26 and name HA   ) 0 0 5.0 !c w    
assign (resid  15  and name HB2   ) (resid   26 and name HB1  ) 0 0 5.0 !c w    

! Terminal NH2
assign (resid   4  and name HA  ) (resid   26 and name H1    ) 0 0 7.0 ! a vw
assign (resid   4  and name HB* ) (resid   26 and name H1    ) 0 0 7.0 ! a vw
assign (resid   4  and name HD* ) (resid   26 and name H1    ) 0 0 7.0 ! a vw
assign (resid   5  and name HA* ) (resid   26 and name H1    ) 0 0 7.0 !a w     
assign (resid  20  and name HA  ) (resid   26 and name H1    ) 0 0 3.5 !a m  
assign (resid  26  and name HA  ) (resid   26 and name H1    ) 0 0 3.7 !a s  
assign (resid  26  and name HB1 ) (resid   26 and name H1  ) 0 0 6.0 !a w (H1-H)
assign (resid  26  and name HB2 ) (resid   26 and name H1  ) 0 0 6.0 !a w (H1-H)
assign (resid  15  and name HB* ) (resid   26 and name H1  ) 0 0 7.0 !a vw (H1-H)
assign (resid  15  and name HB* ) (resid   26 and name H2  ) 0 0 8.0 !a vvw (H1-H)
assign (resid   4  and name HA  ) (resid   26 and name H2    ) 0 0 7.0 ! a vw
assign (resid   5  and name HA* ) (resid   26 and name H2    ) 0 0 8.0 !a vw    
assign (resid  20  and name HA  ) (resid   26 and name H2    ) 0 0 7.0 !a vw 
assign (resid  26  and name HA  ) (resid   26 and name H2    ) 0 0 4.5 !a m  
assign (resid  26  and name HB1 ) (resid   26 and name H2  ) 0 0 6.0 !a w (H2-H')
assign (resid  26  and name HB2 ) (resid   26 and name H2  ) 0 0 6.0 !a w (H2-H')
assign (resid  18  and name HA1 ) (resid  26  and name H1  ) 0 0 7.0 !a vw
assign (resid  18  and name HA2 ) (resid  26  and name H1  ) 0 0 7.0 !a vw
assign (resid  18  and name HA* ) (resid  26  and name H2  ) 0 0 8.0 !a vw
assign (resid  19  and name HN  ) (resid  26  and name H1  ) 0 0 5.0 !b w 
assign (resid  19  and name HN  ) (resid  26  and name H2  ) 0 0 5.0 !b w 
assign (resid  21  and name HN  ) (resid  26  and name H1  ) 0 0 5.0 !b w 
assign (resid  21  and name HN  ) (resid  26  and name H2  ) 0 0 5.0 !b w 

!ambiguous, det. from structures
assign (resid  26 and name HN  ) (resid  25  and name HN  ) 0 0 5.0 !b w 
assign (resid  1 and name HA  ) (resid   3  and name HN  ) 0 0 6.0 !A vW
assign (resid  22 and name HN  ) (resid  25  and name HN  ) 0 0 5.0 !B w 
assign (resid  20 and name HN  ) (resid  13  and name HE* ) 0 0 7.0 !b w 
assign (resid  8  and name HN  ) (resid  25  and name HN  ) 0 0 5.0 !b w 
assign (resid  4  and name HN  ) (resid  16  and name HB* ) 0 0 7.0 !a vw
assign (resid  13 and name HA ) (resid   14  and name HB1 ) 0 0 6.0 !c vw
assign (resid  13 and name HA ) (resid   14  and name HB2 ) 0 0 6.0 !c vw
assign (resid  1 and name HA ) (resid    2  and name HB* ) 0 0 7.0 !c vw
assign (resid  1 and name HA ) (resid    2  and name HD* ) 0 0 7.0 !c vw
assign (resid  9 and name HA ) (resid  10  and name HA  ) 0 0 6.0 !c vw
assign (resid  9 and name HA ) (resid  10  and name HE* ) 0 0 7.0 !c vw

!still ambig.
!assign (resid  5/21 and name HA* ) (resid  19/24 and name HB*/HA* ) 0 0 7.0 !c w
!assign (resid  5/21/24 and name HA* ) (resid  10/4/8 and name HE*/HBL ) 0 0 6.0 !c w
!assign (resid  20/22 and name HN  ) (resid   9  and name HA  ) 0 0 6.0 !A vw poss. neither
!assign (resid  19/24/4 and name HB*/HA ) (resid   21  and name HN  ) 0 0 6.0 !a vw ambiguous
!assign (resid  14/13  and name HN  ) (resid   7  and name HB* ) 0 0 7.0 !a vw neither
!assign (resid  19/18 and name HB*/HA ) (resid    6  and name HN  ) 0 0 6.0 !a vw neither

! Hbonds
assign (resid  25 and name  O     )(resid  21 and name  HN    ) 1.88 0.3 0.42
assign (resid  25 and name  O     )(resid  21 and name  N     ) 1.88 0.3 1.32
assign (resid  21 and name  O     )(resid  24 and name  HN    ) 1.88 0.3 0.42
assign (resid  21 and name  O     )(resid  24 and name  N     ) 1.88 0.3 1.32
assign (resid   3 and name  O     )(resid   6 and name  HN    ) 1.88 0.3 0.42
assign (resid   3 and name  O     )(resid   6 and name  N     ) 1.88 0.3 1.32
assign (resid   9 and name  O     )(resid  14 and name  HN    ) 1.88 0.3 0.42
assign (resid   9 and name  O     )(resid  14 and name  N     ) 1.88 0.3 1.32
assign (resid   9 and name  O     )(resid  12 and name  HN    ) 1.88 0.3 0.42
assign (resid   9 and name  O     )(resid  12 and name  N     ) 1.88 0.3 1.32
assign (resid  10 and name  O     )(resid  13 and name  HN    ) 1.88 0.3 0.42
assign (resid  10 and name  O     )(resid  13 and name  N     ) 1.88 0.3 1.32
assign (resid  15 and name  O     )(resid  18 and name  HN    ) 1.88 0.3 0.42
assign (resid  15 and name  O     )(resid  18 and name  N     ) 1.88 0.3 1.32
assign (resid   6 and name  O     )(resid  26 and name  HN    ) 1.88 0.3 0.42
assign (resid   6 and name  O     )(resid  26 and name  N     ) 1.88 0.3 1.32
assign (resid  26 and name  O     )(resid   5 and name  HN    ) 1.88 0.3 0.42
assign (resid  26 and name  O     )(resid   5 and name  N     ) 1.88 0.3 1.32
assign (resid  24 and name  O     )(resid   8 and name  HN    ) 1.88 0.3 0.42
assign (resid  24 and name  O     )(resid   8 and name  N     ) 1.88 0.3 1.32
assign (resid  14 and name  O     )(resid   2 and name  HN    ) 1.88 0.3 0.42
assign (resid  14 and name  O     )(resid   2 and name  N     ) 1.88 0.3 1.32
assign (resid   2 and name  O     )(resid  16 and name  HN    ) 1.88 0.3 0.42
assign (resid   2 and name  O     )(resid  16 and name  N     ) 1.88 0.3 1.32
assign (resid  19 and name  O     )(resid  26 and name  H1    ) 1.88 0.3 1.42
assign (resid  19 and name  O     )(resid  26 and name  H2    ) 1.88 0.3 1.42
assign (resid  19 and name  O     )(resid  26 and name  NT    ) 1.88 0.3 1.32


! phi angles
!! 1   
 assign (resid   7 and name C )   (resid   8 and name N ) 
        (resid   8 and name CA)   (resid   8 and name C )   1 -120.0   30.0  2
!! 2   
 assign (resid   8 and name C )   (resid   9 and name N ) 
        (resid   9 and name CA)   (resid   9 and name C )   1 -120.0   30.0  2
!! 2   
 assign (resid  11 and name C )   (resid  12 and name N ) 
        (resid  12 and name CA)   (resid  12 and name C )   1 -120.0   40.0  2
!! 2   
 assign (resid  13 and name C )   (resid  14 and name N ) 
        (resid  14 and name CA)   (resid  14 and name C )   1 -120.0   40.0  2
!! 3   
 assign (resid  18 and name C )   (resid  19 and name N ) 
        (resid  19 and name CA)   (resid  19 and name C )   1 -120.0   50.0  2
!! 3   
 assign (resid  22 and name C )   (resid  23 and name N ) 
        (resid  23 and name CA)   (resid  23 and name C )   1 -120.0   40.0  2
!! 4
 assign (resid  24 and name C )   (resid  25 and name N ) 
        (resid  25 and name CA)   (resid  25 and name C )   1 -120.0   30.0  2
!! 5     
 assign (resid  3 and name C )    (resid   4 and name N )
        (resid  4 and name CA)    (resid   4 and name C )   1 -65.0   30.0  2
!! 6
 assign (resid  5 and name C )    (resid   6 and name N )
        (resid  6 and name CA)    (resid   6 and name C )   1 -65.0   30.0  2
!! 7
 assign (resid  9 and name C )    (resid  10 and name N )
        (resid 10 and name CA)    (resid  10 and name C )   1 -65.0   30.0  2
!! 8
 assign (resid 15 and name C )    (resid  16 and name N )
        (resid 16 and name CA)    (resid  16 and name C )   1 -65.0   30.0  2 
!! 9
 assign (resid 21 and name C )    (resid  22 and name N )
        (resid 22 and name CA)    (resid  22 and name C )   1 -65.0   30.0  2
!! 10
 assign (resid 25 and name C )    (resid  26 and name N )
        (resid 26 and name CA)    (resid  26 and name C )   1 -65.0   30.0  2
!! 11
 assign (resid  1 and name C )    (resid   2 and name N )
        (resid  2 and name CA)    (resid   2 and name C )   1 -120.0  50.0  2
!! 12
 assign (resid  6 and name C )    (resid   7 and name N )
        (resid  7 and name CA)    (resid   7 and name C )   1 -90.0   70.0  2
!! 13
 assign (resid 14 and name C )    (resid  15 and name N )
        (resid 15 and name CA)    (resid  15 and name C )   1 -90.0   70.0  2
!! 14
 assign (resid 16 and name C )    (resid  17 and name N )
        (resid 17 and name CA)    (resid  17 and name C )   1 -90.0   70.0  2
!! 15
 assign (resid 19 and name C )    (resid  20 and name N )
        (resid 20 and name CA)    (resid  20 and name C )   1 -90.0   70.0  2


!! determined from structures
!! 1
assign (resid  4 and name C )    (resid   5 and name N )
       (resid  5 and name CA)    (resid   5 and name C )   1  90.0   50.0  2
!! 2
assign (resid 17 and name C )    (resid  18 and name N )
       (resid 18 and name CA)    (resid  18 and name C )   1  90.0   50.0  2
!! 3
assign (resid 20 and name C )    (resid  21 and name N )
       (resid 21 and name CA)    (resid  21 and name C )   1 -65.0   30.0  2
!! 4
assign (resid 23 and name C )    (resid  24 and name N )
       (resid 24 and name CA)    (resid  24 and name C )   1  90.0   60.0  2
!! 5
assign (resid 12 and name C )    (resid  13 and name N )
       (resid 13 and name CA)    (resid  13 and name C )   1  70.0   50.0  2


! chi angles
  !!    1
 assign (resid   1 and name N )   (resid   1 and name CA) 
        (resid   1 and name CB)   (resid   1 and name SG)   1  60.0   30.0  2
  !!    6
 assign (resid  13 and name N )   (resid  13 and name CA) 
        (resid  13 and name CB)   (resid  13 and name CG)   1 -60.0   30.0  2
  !!    7
 assign (resid  15 and name N )   (resid  15 and name CA) 
        (resid  15 and name CB)   (resid  15 and name SG)   1 -60.0   30.0  2
  !!    8
 assign (resid  16 and name N )   (resid  16 and name CA) 
        (resid  16 and name CB)   (resid  16 and name SG)   1 -60.0   30.0  2
  !!    8
 assign (resid  20 and name N )   (resid  20 and name CA) 
        (resid  20 and name CB)   (resid  20 and name SG)   1 180.0   30.0  2
  !!    9
 assign (resid  26 and name N )   (resid  26 and name CA) 
        (resid  26 and name CB)   (resid  26 and name SG)   1 -60.0   30.0  2
  !!   10
 assign (resid  19 and name N )   (resid  19 and name CA) 
        (resid  19 and name CB)   (resid  19 and name OG)   1  60.0   30.0  2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1H        CYS   1  -8.255   7.707   1.198
    2   2H    CYS   1          2H        CYS   1  -9.100   6.457   0.418
    3   3H    CYS   1          3H        CYS   1  -8.741   6.336   2.075
    4    HA   CYS   1           HA       CYS   1  -7.242   4.940   0.875
    5   1HB   CYS   1          1HB       CYS   1  -5.739   5.882  -0.799
    6   2HB   CYS   1          2HB       CYS   1  -7.389   6.130  -1.286
    7    H    LYS   2           H        LYS   2  -5.113   4.723   1.492
    8    HA   LYS   2           HA       LYS   2  -4.244   6.491   3.711
    9   1HB   LYS   2          1HB       LYS   2  -3.639   3.618   2.940
   10   2HB   LYS   2          2HB       LYS   2  -2.753   4.433   4.200
   11   1HG   LYS   2          1HG       LYS   2  -4.591   3.043   5.107
   12   2HG   LYS   2          2HG       LYS   2  -4.754   4.728   5.537
   13   1HD   LYS   2          1HD       LYS   2  -6.523   5.060   3.921
   14   2HD   LYS   2          2HD       LYS   2  -6.307   3.474   3.215
   15   1HE   LYS   2          1HE       LYS   2  -8.238   3.538   4.777
   16   2HE   LYS   2          2HE       LYS   2  -6.992   2.502   5.459
   17   1HZ   LYS   2          1HZ       LYS   2  -7.201   5.375   6.123
   18   2HZ   LYS   2          2HZ       LYS   2  -8.032   4.173   6.989
   19   3HZ   LYS   2          3HZ       LYS   2  -6.334   4.165   6.941
   20    H    GLY   3           H        GLY   3  -2.648   7.852   3.420
   21   1HA   GLY   3          1HA       GLY   3  -1.187   8.230   1.022
   22   2HA   GLY   3          2HA       GLY   3  -0.760   8.928   2.577
   23    H    LYS   4           H        LYS   4   1.289   8.346   0.995
   24    HA   LYS   4           HA       LYS   4   2.403   5.799   0.917
   25   1HB   LYS   4          1HB       LYS   4   3.773   8.493   1.212
   26   2HB   LYS   4          2HB       LYS   4   4.571   7.013   0.716
   27   1HG   LYS   4          1HG       LYS   4   3.039   6.817  -1.227
   28   2HG   LYS   4          2HG       LYS   4   2.222   8.297  -0.755
   29   1HD   LYS   4          1HD       LYS   4   4.366   9.552  -1.014
   30   2HD   LYS   4          2HD       LYS   4   5.166   8.073  -1.517
   31   1HE   LYS   4          1HE       LYS   4   2.812   9.383  -2.955
   32   2HE   LYS   4          2HE       LYS   4   4.484   9.414  -3.491
   33   1HZ   LYS   4          1HZ       LYS   4   4.156   6.815  -3.237
   34   2HZ   LYS   4          2HZ       LYS   4   2.550   7.251  -3.571
   35   3HZ   LYS   4          3HZ       LYS   4   3.784   7.655  -4.665
   36    H    GLY   5           H        GLY   5   3.390   4.488   2.245
   37   1HA   GLY   5          1HA       GLY   5   4.414   3.576   4.114
   38   2HA   GLY   5          2HA       GLY   5   4.756   5.197   4.683
   39    H    ALA   6           H        ALA   6   1.469   4.892   4.110
   40    HA   ALA   6           HA       ALA   6   0.899   4.797   6.996
   41   1HB   ALA   6          1HB       ALA   6  -0.208   6.479   5.572
   42   2HB   ALA   6          2HB       ALA   6  -0.924   5.200   4.606
   43   3HB   ALA   6          3HB       ALA   6  -1.416   5.417   6.272
   44    HA   PRO   7           HA       PRO   7  -0.121   0.600   7.295
   45   1HB   PRO   7          1HB       PRO   7  -2.305   0.630   9.067
   46   2HB   PRO   7          2HB       PRO   7  -0.606   0.704   9.498
   47   1HG   PRO   7          1HG       PRO   7  -2.614   2.874   9.449
   48   2HG   PRO   7          2HG       PRO   7  -1.121   2.764  10.369
   49   1HD   PRO   7          1HD       PRO   7  -1.528   4.337   8.061
   50   2HD   PRO   7          2HD       PRO   7   0.047   3.942   8.771
   51    H    CYS   8           H        CYS   8  -0.732   0.336   5.152
   52    HA   CYS   8           HA       CYS   8  -3.633   0.082   4.534
   53   1HB   CYS   8          1HB       CYS   8  -2.828   0.048   2.170
   54   2HB   CYS   8          2HB       CYS   8  -2.440   1.509   2.975
   55    H    ARG   9           H        ARG   9  -3.600  -1.507   2.496
   56    HA   ARG   9           HA       ARG   9  -2.284  -4.057   3.009
   57   1HB   ARG   9          1HB       ARG   9  -4.495  -5.285   3.003
   58   2HB   ARG   9          2HB       ARG   9  -4.191  -4.373   4.447
   59   1HG   ARG   9          1HG       ARG   9  -6.053  -3.467   2.201
   60   2HG   ARG   9          2HG       ARG   9  -6.571  -4.274   3.659
   61   1HD   ARG   9          1HD       ARG   9  -5.257  -1.514   3.552
   62   2HD   ARG   9          2HD       ARG   9  -6.923  -1.885   3.932
   63    HE   ARG   9           HE       ARG   9  -5.245  -3.338   5.716
   64   1HH1  ARG   9          1HH1      ARG   9  -6.251  -0.113   4.963
   65   2HH1  ARG   9          2HH1      ARG   9  -6.016   0.463   6.577
   66   1HH2  ARG   9          1HH2      ARG   9  -4.951  -2.639   7.774
   67   2HH2  ARG   9          2HH2      ARG   9  -5.277  -0.992   8.196
   68    H    LYS  10           H        LYS  10  -1.475  -4.426   1.201
   69    HA   LYS  10           HA       LYS  10  -2.279  -3.442  -1.355
   70   1HB   LYS  10          1HB       LYS  10  -0.494  -5.072  -2.166
   71   2HB   LYS  10          2HB       LYS  10   0.023  -3.965  -0.923
   72   1HG   LYS  10          1HG       LYS  10   0.955  -6.165  -0.487
   73   2HG   LYS  10          2HG       LYS  10  -0.147  -5.719   0.795
   74   1HD   LYS  10          1HD       LYS  10  -1.875  -7.166  -0.131
   75   2HD   LYS  10          2HD       LYS  10  -0.858  -7.556  -1.512
   76   1HE   LYS  10          1HE       LYS  10  -0.819  -9.346   0.221
   77   2HE   LYS  10          2HE       LYS  10   0.768  -8.601   0.132
   78   1HZ   LYS  10          1HZ       LYS  10  -1.298  -7.714   2.048
   79   2HZ   LYS  10          2HZ       LYS  10  -0.183  -8.944   2.405
   80   3HZ   LYS  10          3HZ       LYS  10   0.365  -7.372   2.068
   81    H    THR  11           H        THR  11  -3.567  -5.809   0.485
   82    HA   THR  11           HA       THR  11  -4.365  -7.903  -1.167
   83    HB   THR  11           HB       THR  11  -5.913  -6.481   1.080
   84    HG1  THR  11           HG1      THR  11  -3.965  -8.538   0.905
   85   1HG2  THR  11          1HG2      THR  11  -5.985  -9.426   0.134
   86   2HG2  THR  11          2HG2      THR  11  -6.941  -8.745   1.442
   87   3HG2  THR  11          3HG2      THR  11  -7.273  -8.286  -0.219
   88    H    MET  12           H        MET  12  -5.460  -4.670  -0.900
   89    HA   MET  12           HA       MET  12  -7.065  -4.881  -3.379
   90   1HB   MET  12          1HB       MET  12  -8.932  -3.604  -2.283
   91   2HB   MET  12          2HB       MET  12  -8.683  -5.161  -1.517
   92   1HG   MET  12          1HG       MET  12  -7.338  -4.102   0.256
   93   2HG   MET  12          2HG       MET  12  -7.504  -2.545  -0.500
   94   1HE   MET  12          1HE       MET  12  -9.877  -1.455  -0.933
   95   2HE   MET  12          2HE       MET  12 -10.739  -1.157   0.561
   96   3HE   MET  12          3HE       MET  12  -9.017  -0.806   0.484
   97    H    TYR  13           H        TYR  13  -4.523  -3.628  -2.059
   98    HA   TYR  13           HA       TYR  13  -3.295  -1.641  -2.180
   99   1HB   TYR  13          1HB       TYR  13  -5.008  -1.368  -4.713
  100   2HB   TYR  13          2HB       TYR  13  -3.483  -0.532  -4.431
  101    HD1  TYR  13           HD1      TYR  13  -1.482  -2.184  -3.672
  102    HD2  TYR  13           HD2      TYR  13  -4.910  -3.402  -5.890
  103    HE1  TYR  13           HE1      TYR  13  -0.266  -4.146  -4.473
  104    HE2  TYR  13           HE2      TYR  13  -3.688  -5.365  -6.688
  105    HH   TYR  13           HH       TYR  13  -1.811  -6.744  -6.060
  106    H    ASP  14           H        ASP  14  -4.471  -1.137  -0.330
  107    HA   ASP  14           HA       ASP  14  -6.732   0.683  -0.317
  108   1HB   ASP  14          1HB       ASP  14  -6.518  -1.004   1.357
  109   2HB   ASP  14          2HB       ASP  14  -4.899  -0.538   1.744
  110    H    CYS  15           H        CYS  15  -3.764   1.382  -1.216
  111    HA   CYS  15           HA       CYS  15  -3.499   3.898   0.348
  112   1HB   CYS  15          1HB       CYS  15  -1.607   2.650  -1.603
  113   2HB   CYS  15          2HB       CYS  15  -1.272   4.032  -0.589
  114    H    CYS  16           H        CYS  16  -2.938   5.859  -0.533
  115    HA   CYS  16           HA       CYS  16  -4.532   6.692  -2.793
  116   1HB   CYS  16          1HB       CYS  16  -2.345   8.165  -1.274
  117   2HB   CYS  16          2HB       CYS  16  -3.554   8.889  -2.291
  118    H    SER  17           H        SER  17  -1.284   5.840  -2.045
  119    HA   SER  17           HA       SER  17   0.119   6.765  -4.343
  120   1HB   SER  17          1HB       SER  17   1.261   5.953  -2.255
  121   2HB   SER  17          2HB       SER  17   0.688   4.311  -2.582
  122    HG   SER  17           HG       SER  17   2.167   5.875  -4.424
  123    H    GLY  18           H        GLY  18  -2.052   4.176  -3.781
  124   1HA   GLY  18          1HA       GLY  18  -3.211   2.910  -5.399
  125   2HA   GLY  18          2HA       GLY  18  -2.053   3.447  -6.611
  126    H    SER  19           H        SER  19  -0.141   2.443  -4.232
  127    HA   SER  19           HA       SER  19  -0.291  -0.450  -4.855
  128   1HB   SER  19          1HB       SER  19   2.159  -0.440  -5.543
  129   2HB   SER  19          2HB       SER  19   1.152   0.505  -6.648
  130    HG   SER  19           HG       SER  19   2.919   1.358  -4.655
  131    H    CYS  20           H        CYS  20  -0.822  -0.754  -2.712
  132    HA   CYS  20           HA       CYS  20   0.891   0.182  -0.567
  133   1HB   CYS  20          1HB       CYS  20  -1.464  -0.265  -0.152
  134   2HB   CYS  20          2HB       CYS  20  -1.321  -1.902  -0.630
  135    H    GLY  21           H        GLY  21   1.860  -1.324   0.915
  136   1HA   GLY  21          1HA       GLY  21   3.644  -3.234  -0.469
  137   2HA   GLY  21          2HA       GLY  21   3.933  -2.501   1.096
  138    H    ARG  22           H        ARG  22   4.269  -5.136   0.488
  139    HA   ARG  22           HA       ARG  22   2.076  -6.784   1.486
  140   1HB   ARG  22          1HB       ARG  22   5.028  -7.458   1.100
  141   2HB   ARG  22          2HB       ARG  22   3.750  -8.625   1.387
  142   1HG   ARG  22          1HG       ARG  22   2.634  -7.891  -0.749
  143   2HG   ARG  22          2HG       ARG  22   3.948  -6.765  -1.030
  144   1HD   ARG  22          1HD       ARG  22   4.318  -8.858  -2.304
  145   2HD   ARG  22          2HD       ARG  22   5.566  -8.670  -1.074
  146    HE   ARG  22           HE       ARG  22   3.374 -10.159   0.013
  147   1HH1  ARG  22          1HH1      ARG  22   5.993 -10.413  -2.243
  148   2HH1  ARG  22          2HH1      ARG  22   6.144 -12.127  -2.046
  149   1HH2  ARG  22          1HH2      ARG  22   3.546 -12.326   0.276
  150   2HH2  ARG  22          2HH2      ARG  22   4.739 -13.227  -0.600
  151    H    ARG  23           H        ARG  23   4.423  -4.826   2.793
  152    HA   ARG  23           HA       ARG  23   4.861  -6.160   5.353
  153   1HB   ARG  23          1HB       ARG  23   5.342  -3.260   4.540
  154   2HB   ARG  23          2HB       ARG  23   6.019  -4.062   5.945
  155   1HG   ARG  23          1HG       ARG  23   7.298  -5.594   4.483
  156   2HG   ARG  23          2HG       ARG  23   6.574  -4.872   3.055
  157   1HD   ARG  23          1HD       ARG  23   8.793  -3.883   3.441
  158   2HD   ARG  23          2HD       ARG  23   7.557  -2.661   3.691
  159    HE   ARG  23           HE       ARG  23   8.123  -3.949   6.184
  160   1HH1  ARG  23          1HH1      ARG  23   9.477  -1.756   3.867
  161   2HH1  ARG  23          2HH1      ARG  23  10.437  -0.925   5.044
  162   1HH2  ARG  23          1HH2      ARG  23   9.329  -2.912   7.692
  163   2HH2  ARG  23          2HH2      ARG  23  10.353  -1.589   7.244
  164    H    GLY  24           H        GLY  24   2.665  -4.009   3.871
  165   1HA   GLY  24          1HA       GLY  24   0.421  -3.726   4.759
  166   2HA   GLY  24          2HA       GLY  24   1.090  -3.716   6.390
  167    H    LYS  25           H        LYS  25   3.113  -1.996   4.290
  168    HA   LYS  25           HA       LYS  25   1.834   0.601   5.139
  169   1HB   LYS  25          1HB       LYS  25   4.731   0.201   4.380
  170   2HB   LYS  25          2HB       LYS  25   4.017   1.619   5.077
  171   1HG   LYS  25          1HG       LYS  25   4.213  -1.015   6.576
  172   2HG   LYS  25          2HG       LYS  25   5.255   0.372   6.818
  173   1HD   LYS  25          1HD       LYS  25   3.278   1.755   7.470
  174   2HD   LYS  25          2HD       LYS  25   2.222   0.379   7.233
  175   1HE   LYS  25          1HE       LYS  25   2.772   0.624   9.618
  176   2HE   LYS  25          2HE       LYS  25   3.462  -0.870   9.004
  177   1HZ   LYS  25          1HZ       LYS  25   5.044   1.607   8.996
  178   2HZ   LYS  25          2HZ       LYS  25   4.899   0.685  10.415
  179   3HZ   LYS  25          3HZ       LYS  25   5.575  -0.004   9.017
  180    H    CYS  26           H        CYS  26   1.914   2.261   3.682
  181    HA   CYS  26           HA       CYS  26   1.340   1.481   0.964
  182   1HB   CYS  26          1HB       CYS  26   1.512   4.151   2.287
  183   2HB   CYS  26          2HB       CYS  26   1.010   3.947   0.629
  184   1HN   NH2  27          1HT       NH2  27   2.133   2.488  -1.019
  185   2HN   NH2  27          2HT       NH2  27   3.787   2.797  -1.188
  Start of MODEL    2
    1   1H    CYS   1          1H        CYS   1  -8.036   8.099   0.825
    2   2H    CYS   1          2H        CYS   1  -8.982   6.863   0.144
    3   3H    CYS   1          3H        CYS   1  -8.602   6.829   1.800
    4    HA   CYS   1           HA       CYS   1  -7.239   5.250   0.660
    5   1HB   CYS   1          1HB       CYS   1  -5.667   5.991  -1.055
    6   2HB   CYS   1          2HB       CYS   1  -7.298   6.319  -1.559
    7    H    LYS   2           H        LYS   2  -5.351   4.808   1.593
    8    HA   LYS   2           HA       LYS   2  -4.341   6.579   3.685
    9   1HB   LYS   2          1HB       LYS   2  -3.739   3.757   2.801
   10   2HB   LYS   2          2HB       LYS   2  -2.765   4.535   4.007
   11   1HG   LYS   2          1HG       LYS   2  -4.522   3.040   4.933
   12   2HG   LYS   2          2HG       LYS   2  -4.557   4.661   5.563
   13   1HD   LYS   2          1HD       LYS   2  -6.430   3.801   3.331
   14   2HD   LYS   2          2HD       LYS   2  -6.776   3.500   5.018
   15   1HE   LYS   2          1HE       LYS   2  -6.366   6.307   3.890
   16   2HE   LYS   2          2HE       LYS   2  -7.899   5.552   4.235
   17   1HZ   LYS   2          1HZ       LYS   2  -6.950   5.212   6.543
   18   2HZ   LYS   2          2HZ       LYS   2  -5.763   6.340   6.094
   19   3HZ   LYS   2          3HZ       LYS   2  -7.402   6.786   6.091
   20    H    GLY   3           H        GLY   3  -2.690   7.785   3.632
   21   1HA   GLY   3          1HA       GLY   3  -1.229   8.419   1.247
   22   2HA   GLY   3          2HA       GLY   3  -0.788   8.965   2.858
   23    H    LYS   4           H        LYS   4   1.226   8.399   1.162
   24    HA   LYS   4           HA       LYS   4   2.187   5.745   1.021
   25   1HB   LYS   4          1HB       LYS   4   3.132   7.670  -0.254
   26   2HB   LYS   4          2HB       LYS   4   3.763   8.315   1.253
   27   1HG   LYS   4          1HG       LYS   4   5.216   6.328   1.537
   28   2HG   LYS   4          2HG       LYS   4   4.502   5.571   0.132
   29   1HD   LYS   4          1HD       LYS   4   6.701   6.458  -0.441
   30   2HD   LYS   4          2HD       LYS   4   5.479   7.345  -1.319
   31   1HE   LYS   4          1HE       LYS   4   6.821   8.343   1.227
   32   2HE   LYS   4          2HE       LYS   4   7.280   8.821  -0.396
   33   1HZ   LYS   4          1HZ       LYS   4   4.631   9.302  -0.364
   34   2HZ   LYS   4          2HZ       LYS   4   5.089   9.701   1.222
   35   3HZ   LYS   4          3HZ       LYS   4   5.845  10.456  -0.096
   36    H    GLY   5           H        GLY   5   3.289   4.457   2.342
   37   1HA   GLY   5          1HA       GLY   5   4.372   3.615   4.223
   38   2HA   GLY   5          2HA       GLY   5   4.638   5.256   4.774
   39    H    ALA   6           H        ALA   6   1.366   4.719   4.165
   40    HA   ALA   6           HA       ALA   6   0.814   4.570   7.070
   41   1HB   ALA   6          1HB       ALA   6  -1.004   5.160   4.719
   42   2HB   ALA   6          2HB       ALA   6  -1.487   5.265   6.401
   43   3HB   ALA   6          3HB       ALA   6  -0.269   6.359   5.766
   44    HA   PRO   7           HA       PRO   7  -0.242   0.350   7.090
   45   1HB   PRO   7          1HB       PRO   7  -2.518   0.406   8.800
   46   2HB   PRO   7          2HB       PRO   7  -0.839   0.177   9.248
   47   1HG   PRO   7          1HG       PRO   7  -2.519   2.554   9.567
   48   2HG   PRO   7          2HG       PRO   7  -0.976   2.183  10.321
   49   1HD   PRO   7          1HD       PRO   7  -1.417   4.056   8.228
   50   2HD   PRO   7          2HD       PRO   7   0.157   3.480   8.806
   51    H    CYS   8           H        CYS   8  -0.817  -0.089   5.049
   52    HA   CYS   8           HA       CYS   8  -3.709  -0.063   4.299
   53   1HB   CYS   8          1HB       CYS   8  -2.837  -0.201   1.980
   54   2HB   CYS   8          2HB       CYS   8  -2.427   1.267   2.771
   55    H    ARG   9           H        ARG   9  -3.983  -1.636   2.424
   56    HA   ARG   9           HA       ARG   9  -2.862  -4.315   2.962
   57   1HB   ARG   9          1HB       ARG   9  -5.179  -5.305   2.731
   58   2HB   ARG   9          2HB       ARG   9  -4.933  -4.416   4.203
   59   1HG   ARG   9          1HG       ARG   9  -6.327  -3.176   1.797
   60   2HG   ARG   9          2HG       ARG   9  -7.193  -4.090   3.008
   61   1HD   ARG   9          1HD       ARG   9  -5.551  -1.568   3.572
   62   2HD   ARG   9          2HD       ARG   9  -7.302  -1.671   3.504
   63    HE   ARG   9           HE       ARG   9  -6.776  -3.566   5.347
   64   1HH1  ARG   9          1HH1      ARG   9  -5.538  -0.348   4.979
   65   2HH1  ARG   9          2HH1      ARG   9  -5.296  -0.132   6.678
   66   1HH2  ARG   9          1HH2      ARG   9  -6.476  -3.309   7.492
   67   2HH2  ARG   9          2HH2      ARG   9  -5.831  -1.829   8.121
   68    H    LYS  10           H        LYS  10  -2.175  -5.063   1.291
   69    HA   LYS  10           HA       LYS  10  -2.221  -4.036  -1.366
   70   1HB   LYS  10          1HB       LYS  10  -1.740  -6.972  -0.622
   71   2HB   LYS  10          2HB       LYS  10  -1.233  -6.179  -2.085
   72   1HG   LYS  10          1HG       LYS  10   0.688  -6.481  -0.632
   73   2HG   LYS  10          2HG       LYS  10   0.354  -4.782  -0.843
   74   1HD   LYS  10          1HD       LYS  10   0.951  -5.445   1.480
   75   2HD   LYS  10          2HD       LYS  10  -0.540  -4.584   1.425
   76   1HE   LYS  10          1HE       LYS  10  -1.668  -6.922   1.541
   77   2HE   LYS  10          2HE       LYS  10  -0.055  -7.611   1.668
   78   1HZ   LYS  10          1HZ       LYS  10  -1.153  -5.579   3.519
   79   2HZ   LYS  10          2HZ       LYS  10  -1.175  -7.252   3.809
   80   3HZ   LYS  10          3HZ       LYS  10   0.307  -6.432   3.681
   81    H    THR  11           H        THR  11  -3.952  -6.322   0.376
   82    HA   THR  11           HA       THR  11  -5.511  -7.906  -1.127
   83    HB   THR  11           HB       THR  11  -6.591  -6.097   1.112
   84    HG1  THR  11           HG1      THR  11  -4.727  -7.261   1.611
   85   1HG2  THR  11          1HG2      THR  11  -7.405  -8.940   0.235
   86   2HG2  THR  11          2HG2      THR  11  -8.125  -8.016   1.546
   87   3HG2  THR  11          3HG2      THR  11  -8.377  -7.521  -0.119
   88    H    MET  12           H        MET  12  -6.073  -4.472  -0.781
   89    HA   MET  12           HA       MET  12  -7.658  -4.458  -3.296
   90   1HB   MET  12          1HB       MET  12  -9.374  -2.984  -2.221
   91   2HB   MET  12          2HB       MET  12  -9.313  -4.555  -1.452
   92   1HG   MET  12          1HG       MET  12  -7.901  -3.668   0.338
   93   2HG   MET  12          2HG       MET  12  -7.846  -2.101  -0.415
   94   1HE   MET  12          1HE       MET  12 -10.049  -0.696  -0.874
   95   2HE   MET  12          2HE       MET  12 -10.870  -0.290   0.618
   96   3HE   MET  12          3HE       MET  12  -9.117  -0.188   0.556
   97    H    TYR  13           H        TYR  13  -5.043  -3.408  -1.825
   98    HA   TYR  13           HA       TYR  13  -3.630  -1.558  -1.971
   99   1HB   TYR  13          1HB       TYR  13  -5.232  -1.212  -4.570
  100   2HB   TYR  13          2HB       TYR  13  -3.688  -0.433  -4.238
  101    HD1  TYR  13           HD1      TYR  13  -1.709  -2.005  -3.583
  102    HD2  TYR  13           HD2      TYR  13  -5.260  -3.415  -5.468
  103    HE1  TYR  13           HE1      TYR  13  -0.535  -4.035  -4.277
  104    HE2  TYR  13           HE2      TYR  13  -4.080  -5.444  -6.160
  105    HH   TYR  13           HH       TYR  13  -2.145  -6.769  -5.483
  106    H    ASP  14           H        ASP  14  -4.810  -0.972  -0.181
  107    HA   ASP  14           HA       ASP  14  -6.926   1.020  -0.238
  108   1HB   ASP  14          1HB       ASP  14  -6.857  -0.706   1.440
  109   2HB   ASP  14          2HB       ASP  14  -5.246  -0.270   1.932
  110    H    CYS  15           H        CYS  15  -4.054   1.487  -1.227
  111    HA   CYS  15           HA       CYS  15  -3.468   3.984   0.307
  112   1HB   CYS  15          1HB       CYS  15  -1.728   2.483  -1.612
  113   2HB   CYS  15          2HB       CYS  15  -1.251   3.870  -0.662
  114    H    CYS  16           H        CYS  16  -2.889   5.868  -0.679
  115    HA   CYS  16           HA       CYS  16  -4.427   6.642  -2.974
  116   1HB   CYS  16          1HB       CYS  16  -2.131   8.033  -1.551
  117   2HB   CYS  16          2HB       CYS  16  -3.244   8.808  -2.634
  118    H    SER  17           H        SER  17  -1.195   5.674  -2.277
  119    HA   SER  17           HA       SER  17   0.061   6.317  -4.788
  120   1HB   SER  17          1HB       SER  17   1.371   5.925  -2.679
  121   2HB   SER  17          2HB       SER  17   0.842   4.236  -2.669
  122    HG   SER  17           HG       SER  17   1.813   3.947  -4.658
  123    H    GLY  18           H        GLY  18  -1.893   3.745  -3.593
  124   1HA   GLY  18          1HA       GLY  18  -3.024   2.058  -4.753
  125   2HA   GLY  18          2HA       GLY  18  -2.246   2.590  -6.236
  126    H    SER  19           H        SER  19   0.331   2.266  -4.426
  127    HA   SER  19           HA       SER  19   0.692  -0.647  -5.000
  128   1HB   SER  19          1HB       SER  19   3.135  -0.015  -5.310
  129   2HB   SER  19          2HB       SER  19   2.092   0.856  -6.440
  130    HG   SER  19           HG       SER  19   3.323   1.744  -4.085
  131    H    CYS  20           H        CYS  20  -0.439  -0.639  -2.828
  132    HA   CYS  20           HA       CYS  20   0.858   0.219  -0.472
  133   1HB   CYS  20          1HB       CYS  20  -1.419  -0.436  -0.346
  134   2HB   CYS  20          2HB       CYS  20  -1.132  -2.033  -0.924
  135    H    GLY  21           H        GLY  21   2.549  -0.370   0.504
  136   1HA   GLY  21          1HA       GLY  21   4.487  -2.205  -0.288
  137   2HA   GLY  21          2HA       GLY  21   4.369  -1.549   1.340
  138    H    ARG  22           H        ARG  22   5.006  -4.137   0.202
  139    HA   ARG  22           HA       ARG  22   3.079  -6.148   0.783
  140   1HB   ARG  22          1HB       ARG  22   4.902  -7.743   0.542
  141   2HB   ARG  22          2HB       ARG  22   5.063  -6.506  -0.676
  142   1HG   ARG  22          1HG       ARG  22   6.704  -6.687   1.892
  143   2HG   ARG  22          2HG       ARG  22   7.257  -7.093   0.289
  144   1HD   ARG  22          1HD       ARG  22   6.956  -4.677  -0.402
  145   2HD   ARG  22          2HD       ARG  22   6.511  -4.308   1.262
  146    HE   ARG  22           HE       ARG  22   8.718  -4.554   1.939
  147   1HH1  ARG  22          1HH1      ARG  22   8.299  -5.718  -1.302
  148   2HH1  ARG  22          2HH1      ARG  22  10.000  -5.864  -1.586
  149   1HH2  ARG  22          1HH2      ARG  22  10.867  -4.735   1.600
  150   2HH2  ARG  22          2HH2      ARG  22  11.477  -5.300   0.080
  151    H    ARG  23           H        ARG  23   5.345  -4.511   2.859
  152    HA   ARG  23           HA       ARG  23   5.136  -6.504   4.982
  153   1HB   ARG  23          1HB       ARG  23   6.547  -4.925   6.254
  154   2HB   ARG  23          2HB       ARG  23   7.189  -5.236   4.666
  155   1HG   ARG  23          1HG       ARG  23   7.509  -2.908   5.064
  156   2HG   ARG  23          2HG       ARG  23   6.221  -3.028   3.889
  157   1HD   ARG  23          1HD       ARG  23   5.740  -1.340   5.626
  158   2HD   ARG  23          2HD       ARG  23   4.539  -2.608   5.685
  159    HE   ARG  23           HE       ARG  23   6.934  -2.679   7.473
  160   1HH1  ARG  23          1HH1      ARG  23   3.466  -2.635   7.095
  161   2HH1  ARG  23          2HH1      ARG  23   3.196  -2.950   8.772
  162   1HH2  ARG  23          1HH2      ARG  23   6.578  -3.072   9.570
  163   2HH2  ARG  23          2HH2      ARG  23   4.964  -3.202  10.185
  164    H    GLY  24           H        GLY  24   3.115  -4.005   3.932
  165   1HA   GLY  24          1HA       GLY  24   0.873  -4.067   5.051
  166   2HA   GLY  24          2HA       GLY  24   1.708  -3.952   6.581
  167    H    LYS  25           H        LYS  25   3.278  -1.909   4.452
  168    HA   LYS  25           HA       LYS  25   1.561   0.415   5.317
  169   1HB   LYS  25          1HB       LYS  25   4.576   0.383   4.824
  170   2HB   LYS  25          2HB       LYS  25   3.644   1.789   5.268
  171   1HG   LYS  25          1HG       LYS  25   3.910  -0.672   7.016
  172   2HG   LYS  25          2HG       LYS  25   4.823   0.806   7.232
  173   1HD   LYS  25          1HD       LYS  25   2.708   2.062   7.593
  174   2HD   LYS  25          2HD       LYS  25   1.780   0.608   7.341
  175   1HE   LYS  25          1HE       LYS  25   2.864  -0.431   9.322
  176   2HE   LYS  25          2HE       LYS  25   3.798   1.041   9.569
  177   1HZ   LYS  25          1HZ       LYS  25   0.903   1.295   9.334
  178   2HZ   LYS  25          2HZ       LYS  25   1.521   0.626  10.768
  179   3HZ   LYS  25          3HZ       LYS  25   2.002   2.180  10.278
  180    H    CYS  26           H        CYS  26   1.812   2.308   3.833
  181    HA   CYS  26           HA       CYS  26   1.307   1.370   1.132
  182   1HB   CYS  26          1HB       CYS  26   1.344   4.112   2.334
  183   2HB   CYS  26          2HB       CYS  26   0.898   3.777   0.681
  184   1HN   NH2  27          1HT       NH2  27   2.229   2.323  -0.834
  185   2HN   NH2  27          2HT       NH2  27   3.881   2.692  -0.893
  Start of MODEL    3
    1   1H    CYS   1          1H        CYS   1  -8.223   8.097   1.121
    2   2H    CYS   1          2H        CYS   1  -9.131   6.880   0.359
    3   3H    CYS   1          3H        CYS   1  -8.782   6.767   2.019
    4    HA   CYS   1           HA       CYS   1  -7.341   5.280   0.926
    5   1HB   CYS   1          1HB       CYS   1  -5.845   6.009  -0.855
    6   2HB   CYS   1          2HB       CYS   1  -7.496   6.283  -1.327
    7    H    LYS   2           H        LYS   2  -5.267   4.987   1.636
    8    HA   LYS   2           HA       LYS   2  -4.261   7.001   3.557
    9   1HB   LYS   2          1HB       LYS   2  -4.115   4.023   3.339
   10   2HB   LYS   2          2HB       LYS   2  -2.856   4.844   4.221
   11   1HG   LYS   2          1HG       LYS   2  -4.740   4.203   5.694
   12   2HG   LYS   2          2HG       LYS   2  -4.446   5.925   5.687
   13   1HD   LYS   2          1HD       LYS   2  -6.808   5.564   5.643
   14   2HD   LYS   2          2HD       LYS   2  -6.378   6.235   4.118
   15   1HE   LYS   2          1HE       LYS   2  -6.339   3.880   3.142
   16   2HE   LYS   2          2HE       LYS   2  -6.920   3.309   4.700
   17   1HZ   LYS   2          1HZ       LYS   2  -8.310   5.270   2.978
   18   2HZ   LYS   2          2HZ       LYS   2  -8.704   3.624   3.126
   19   3HZ   LYS   2          3HZ       LYS   2  -8.870   4.660   4.462
   20    H    GLY   3           H        GLY   3  -2.572   8.194   3.075
   21   1HA   GLY   3          1HA       GLY   3  -1.026   8.067   0.708
   22   2HA   GLY   3          2HA       GLY   3  -0.597   8.993   2.140
   23    H    LYS   4           H        LYS   4   1.327   7.882   0.577
   24    HA   LYS   4           HA       LYS   4   2.343   5.380   0.968
   25   1HB   LYS   4          1HB       LYS   4   4.535   6.389   0.610
   26   2HB   LYS   4          2HB       LYS   4   3.337   6.978  -0.520
   27   1HG   LYS   4          1HG       LYS   4   3.023   9.014   0.981
   28   2HG   LYS   4          2HG       LYS   4   4.363   8.448   1.952
   29   1HD   LYS   4          1HD       LYS   4   4.531   9.169  -0.989
   30   2HD   LYS   4          2HD       LYS   4   5.026  10.205   0.326
   31   1HE   LYS   4          1HE       LYS   4   7.010   9.157  -0.624
   32   2HE   LYS   4          2HE       LYS   4   6.755   8.473   0.970
   33   1HZ   LYS   4          1HZ       LYS   4   5.444   7.040  -1.155
   34   2HZ   LYS   4          2HZ       LYS   4   7.138   7.060  -1.263
   35   3HZ   LYS   4          3HZ       LYS   4   6.385   6.464   0.136
   36    H    GLY   5           H        GLY   5   3.334   4.223   2.426
   37   1HA   GLY   5          1HA       GLY   5   4.486   3.578   4.352
   38   2HA   GLY   5          2HA       GLY   5   4.619   5.254   4.831
   39    H    ALA   6           H        ALA   6   1.420   4.685   4.175
   40    HA   ALA   6           HA       ALA   6   0.767   4.495   7.047
   41   1HB   ALA   6          1HB       ALA   6  -0.936   5.033   4.616
   42   2HB   ALA   6          2HB       ALA   6  -1.520   5.154   6.268
   43   3HB   ALA   6          3HB       ALA   6  -0.281   6.254   5.693
   44    HA   PRO   7           HA       PRO   7  -0.262   0.289   7.057
   45   1HB   PRO   7          1HB       PRO   7  -2.437   0.192   8.816
   46   2HB   PRO   7          2HB       PRO   7  -0.744   0.293   9.268
   47   1HG   PRO   7          1HG       PRO   7  -2.806   2.420   9.280
   48   2HG   PRO   7          2HG       PRO   7  -1.343   2.284  10.246
   49   1HD   PRO   7          1HD       PRO   7  -1.687   3.978   8.018
   50   2HD   PRO   7          2HD       PRO   7  -0.127   3.544   8.743
   51    H    CYS   8           H        CYS   8  -0.868  -0.067   4.979
   52    HA   CYS   8           HA       CYS   8  -3.743  -0.045   4.244
   53   1HB   CYS   8          1HB       CYS   8  -2.799  -0.358   1.934
   54   2HB   CYS   8          2HB       CYS   8  -2.539   1.172   2.671
   55    H    ARG   9           H        ARG   9  -4.410  -1.581   2.692
   56    HA   ARG   9           HA       ARG   9  -3.517  -4.371   3.237
   57   1HB   ARG   9          1HB       ARG   9  -5.984  -4.915   2.730
   58   2HB   ARG   9          2HB       ARG   9  -5.676  -4.103   4.251
   59   1HG   ARG   9          1HG       ARG   9  -6.322  -1.959   3.219
   60   2HG   ARG   9          2HG       ARG   9  -6.644  -2.771   1.700
   61   1HD   ARG   9          1HD       ARG   9  -8.372  -4.189   2.877
   62   2HD   ARG   9          2HD       ARG   9  -8.009  -3.370   4.382
   63    HE   ARG   9           HE       ARG   9  -9.577  -2.298   2.167
   64   1HH1  ARG   9          1HH1      ARG   9  -7.600  -1.569   4.920
   65   2HH1  ARG   9          2HH1      ARG   9  -8.297  -0.002   5.151
   66   1HH2  ARG   9          1HH2      ARG   9 -10.474  -0.315   2.440
   67   2HH2  ARG   9          2HH2      ARG   9  -9.947   0.721   3.726
   68    H    LYS  10           H        LYS  10  -2.572  -5.138   1.690
   69    HA   LYS  10           HA       LYS  10  -2.180  -4.230  -0.948
   70   1HB   LYS  10          1HB       LYS  10  -2.071  -7.174  -0.142
   71   2HB   LYS  10          2HB       LYS  10  -1.253  -6.434  -1.485
   72   1HG   LYS  10          1HG       LYS  10   0.394  -6.946   0.176
   73   2HG   LYS  10          2HG       LYS  10   0.224  -5.206   0.146
   74   1HD   LYS  10          1HD       LYS  10  -0.982  -5.163   2.209
   75   2HD   LYS  10          2HD       LYS  10  -1.301  -6.897   2.178
   76   1HE   LYS  10          1HE       LYS  10   1.208  -7.211   2.466
   77   2HE   LYS  10          2HE       LYS  10   1.363  -5.463   2.574
   78   1HZ   LYS  10          1HZ       LYS  10  -0.404  -5.698   4.398
   79   2HZ   LYS  10          2HZ       LYS  10   0.109  -7.318   4.451
   80   3HZ   LYS  10          3HZ       LYS  10   1.218  -6.065   4.744
   81    H    THR  11           H        THR  11  -4.385  -6.401   0.473
   82    HA   THR  11           HA       THR  11  -5.698  -7.872  -1.322
   83    HB   THR  11           HB       THR  11  -6.972  -6.082   0.817
   84    HG1  THR  11           HG1      THR  11  -5.865  -8.690   0.699
   85   1HG2  THR  11          1HG2      THR  11  -7.892  -8.802  -0.331
   86   2HG2  THR  11          2HG2      THR  11  -8.709  -7.883   0.921
   87   3HG2  THR  11          3HG2      THR  11  -8.691  -7.292  -0.731
   88    H    MET  12           H        MET  12  -6.090  -4.395  -1.093
   89    HA   MET  12           HA       MET  12  -7.209  -4.351  -3.833
   90   1HB   MET  12          1HB       MET  12  -9.130  -2.888  -3.126
   91   2HB   MET  12          2HB       MET  12  -9.208  -4.483  -2.410
   92   1HG   MET  12          1HG       MET  12  -8.080  -2.077  -0.972
   93   2HG   MET  12          2HG       MET  12  -9.710  -2.645  -0.772
   94   1HE   MET  12          1HE       MET  12 -10.116  -5.327  -0.266
   95   2HE   MET  12          2HE       MET  12  -9.628  -5.623   1.390
   96   3HE   MET  12          3HE       MET  12 -10.488  -4.141   1.009
   97    H    TYR  13           H        TYR  13  -4.920  -3.369  -1.959
   98    HA   TYR  13           HA       TYR  13  -3.510  -1.527  -1.803
   99   1HB   TYR  13          1HB       TYR  13  -4.736  -1.022  -4.577
  100   2HB   TYR  13          2HB       TYR  13  -3.277  -0.239  -3.971
  101    HD1  TYR  13           HD1      TYR  13  -1.356  -1.723  -3.221
  102    HD2  TYR  13           HD2      TYR  13  -4.604  -3.235  -5.512
  103    HE1  TYR  13           HE1      TYR  13  -0.003  -3.670  -3.840
  104    HE2  TYR  13           HE2      TYR  13  -3.256  -5.183  -6.134
  105    HH   TYR  13           HH       TYR  13  -0.563  -5.581  -6.310
  106    H    ASP  14           H        ASP  14  -4.831  -0.972  -0.142
  107    HA   ASP  14           HA       ASP  14  -6.970   0.987  -0.357
  108   1HB   ASP  14          1HB       ASP  14  -7.037  -0.693   1.323
  109   2HB   ASP  14          2HB       ASP  14  -5.453  -0.323   1.924
  110    H    CYS  15           H        CYS  15  -4.061   1.515  -1.139
  111    HA   CYS  15           HA       CYS  15  -3.579   3.989   0.452
  112   1HB   CYS  15          1HB       CYS  15  -1.779   2.674  -1.559
  113   2HB   CYS  15          2HB       CYS  15  -1.373   3.975  -0.462
  114    H    CYS  16           H        CYS  16  -2.983   5.946  -0.546
  115    HA   CYS  16           HA       CYS  16  -4.590   6.645  -2.840
  116   1HB   CYS  16          1HB       CYS  16  -2.359   8.170  -1.454
  117   2HB   CYS  16          2HB       CYS  16  -3.536   8.847  -2.539
  118    H    SER  17           H        SER  17  -1.331   5.794  -2.127
  119    HA   SER  17           HA       SER  17  -0.046   6.526  -4.583
  120   1HB   SER  17          1HB       SER  17   1.229   6.049  -2.469
  121   2HB   SER  17          2HB       SER  17   0.713   4.357  -2.543
  122    HG   SER  17           HG       SER  17   1.721   4.180  -4.542
  123    H    GLY  18           H        GLY  18  -2.130   3.977  -3.669
  124   1HA   GLY  18          1HA       GLY  18  -3.176   2.350  -4.982
  125   2HA   GLY  18          2HA       GLY  18  -2.244   2.915  -6.369
  126    H    SER  19           H        SER  19  -0.044   2.447  -4.063
  127    HA   SER  19           HA       SER  19   0.401  -0.450  -4.625
  128   1HB   SER  19          1HB       SER  19   2.863   0.119  -4.873
  129   2HB   SER  19          2HB       SER  19   1.889   0.950  -6.094
  130    HG   SER  19           HG       SER  19   1.729   2.666  -4.419
  131    H    CYS  20           H        CYS  20   0.401  -1.495  -2.803
  132    HA   CYS  20           HA       CYS  20   1.315  -0.153  -0.294
  133   1HB   CYS  20          1HB       CYS  20  -1.059  -0.612  -0.250
  134   2HB   CYS  20          2HB       CYS  20  -0.856  -2.267  -0.694
  135    H    GLY  21           H        GLY  21   3.156  -0.826   0.294
  136   1HA   GLY  21          1HA       GLY  21   4.705  -2.943  -0.646
  137   2HA   GLY  21          2HA       GLY  21   4.963  -2.133   0.891
  138    H    ARG  22           H        ARG  22   5.563  -4.710   0.523
  139    HA   ARG  22           HA       ARG  22   3.571  -6.612   1.352
  140   1HB   ARG  22          1HB       ARG  22   6.613  -6.735   1.519
  141   2HB   ARG  22          2HB       ARG  22   5.559  -8.116   1.736
  142   1HG   ARG  22          1HG       ARG  22   5.779  -6.459  -0.817
  143   2HG   ARG  22          2HG       ARG  22   6.517  -8.025  -0.559
  144   1HD   ARG  22          1HD       ARG  22   4.214  -9.029  -0.242
  145   2HD   ARG  22          2HD       ARG  22   3.513  -7.452  -0.575
  146    HE   ARG  22           HE       ARG  22   3.946  -7.754  -2.842
  147   1HH1  ARG  22          1HH1      ARG  22   5.784 -10.012  -0.958
  148   2HH1  ARG  22          2HH1      ARG  22   6.324 -10.898  -2.345
  149   1HH2  ARG  22          1HH2      ARG  22   4.620  -8.861  -4.606
  150   2HH2  ARG  22          2HH2      ARG  22   5.659 -10.238  -4.439
  151    H    ARG  23           H        ARG  23   5.504  -4.380   3.063
  152    HA   ARG  23           HA       ARG  23   5.336  -5.730   5.650
  153   1HB   ARG  23          1HB       ARG  23   6.329  -3.626   6.523
  154   2HB   ARG  23          2HB       ARG  23   7.227  -4.240   5.151
  155   1HG   ARG  23          1HG       ARG  23   6.132  -2.630   3.638
  156   2HG   ARG  23          2HG       ARG  23   5.109  -2.049   4.932
  157   1HD   ARG  23          1HD       ARG  23   8.159  -1.858   4.873
  158   2HD   ARG  23          2HD       ARG  23   7.041  -0.528   4.570
  159    HE   ARG  23           HE       ARG  23   6.440  -1.720   7.106
  160   1HH1  ARG  23          1HH1      ARG  23   8.790   0.252   5.498
  161   2HH1  ARG  23          2HH1      ARG  23   9.258   1.075   6.949
  162   1HH2  ARG  23          1HH2      ARG  23   7.013  -0.692   8.953
  163   2HH2  ARG  23          2HH2      ARG  23   8.240   0.532   8.933
  164    H    GLY  24           H        GLY  24   3.037  -4.400   3.820
  165   1HA   GLY  24          1HA       GLY  24   0.802  -3.938   4.344
  166   2HA   GLY  24          2HA       GLY  24   1.205  -3.988   6.055
  167    H    LYS  25           H        LYS  25   3.194  -1.992   4.102
  168    HA   LYS  25           HA       LYS  25   1.715   0.439   5.089
  169   1HB   LYS  25          1HB       LYS  25   4.661   0.262   4.356
  170   2HB   LYS  25          2HB       LYS  25   3.840   1.628   5.047
  171   1HG   LYS  25          1HG       LYS  25   4.153  -1.013   6.517
  172   2HG   LYS  25          2HG       LYS  25   5.131   0.418   6.772
  173   1HD   LYS  25          1HD       LYS  25   3.130   1.696   7.469
  174   2HD   LYS  25          2HD       LYS  25   2.106   0.310   7.173
  175   1HE   LYS  25          1HE       LYS  25   2.676   0.485   9.577
  176   2HE   LYS  25          2HE       LYS  25   3.373  -0.979   8.901
  177   1HZ   LYS  25          1HZ       LYS  25   4.876   1.559   9.094
  178   2HZ   LYS  25          2HZ       LYS  25   4.865   0.398  10.335
  179   3HZ   LYS  25          3HZ       LYS  25   5.483  -0.001   8.803
  180    H    CYS  26           H        CYS  26   1.818   2.251   3.704
  181    HA   CYS  26           HA       CYS  26   1.279   1.532   0.935
  182   1HB   CYS  26          1HB       CYS  26   1.225   4.137   2.406
  183   2HB   CYS  26          2HB       CYS  26   0.722   3.953   0.744
  184   1HN   NH2  27          1HT       NH2  27   2.033   3.242  -0.818
  185   2HN   NH2  27          2HT       NH2  27   3.707   3.461  -0.918
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1  -8.157   7.826   1.122
    2   2H    CYS   1          2H        CYS   1  -9.065   6.632   0.326
    3   3H    CYS   1          3H        CYS   1  -8.662   6.440   1.965
    4    HA   CYS   1           HA       CYS   1  -7.227   5.037   0.735
    5   1HB   CYS   1          1HB       CYS   1  -5.824   5.901  -1.056
    6   2HB   CYS   1          2HB       CYS   1  -7.490   6.226  -1.431
    7    H    LYS   2           H        LYS   2  -5.350   4.664   1.705
    8    HA   LYS   2           HA       LYS   2  -4.338   6.569   3.694
    9   1HB   LYS   2          1HB       LYS   2  -3.674   3.703   3.007
   10   2HB   LYS   2          2HB       LYS   2  -2.746   4.595   4.175
   11   1HG   LYS   2          1HG       LYS   2  -4.472   3.106   5.177
   12   2HG   LYS   2          2HG       LYS   2  -4.569   4.765   5.696
   13   1HD   LYS   2          1HD       LYS   2  -6.362   3.717   3.479
   14   2HD   LYS   2          2HD       LYS   2  -6.739   3.504   5.172
   15   1HE   LYS   2          1HE       LYS   2  -6.886   5.846   5.573
   16   2HE   LYS   2          2HE       LYS   2  -6.312   6.294   3.999
   17   1HZ   LYS   2          1HZ       LYS   2  -8.258   5.065   3.088
   18   2HZ   LYS   2          2HZ       LYS   2  -8.833   4.922   4.679
   19   3HZ   LYS   2          3HZ       LYS   2  -8.633   6.459   3.984
   20    H    GLY   3           H        GLY   3  -2.706   7.767   3.557
   21   1HA   GLY   3          1HA       GLY   3  -1.262   8.334   1.163
   22   2HA   GLY   3          2HA       GLY   3  -0.767   8.870   2.765
   23    H    LYS   4           H        LYS   4   1.184   8.240   0.951
   24    HA   LYS   4           HA       LYS   4   2.072   5.571   0.878
   25   1HB   LYS   4          1HB       LYS   4   4.252   6.571   0.295
   26   2HB   LYS   4          2HB       LYS   4   2.933   7.300  -0.586
   27   1HG   LYS   4          1HG       LYS   4   2.939   9.230   1.017
   28   2HG   LYS   4          2HG       LYS   4   4.298   8.502   1.866
   29   1HD   LYS   4          1HD       LYS   4   5.644   8.574  -0.235
   30   2HD   LYS   4          2HD       LYS   4   4.289   9.308  -1.075
   31   1HE   LYS   4          1HE       LYS   4   4.394  11.261   0.482
   32   2HE   LYS   4          2HE       LYS   4   5.771  10.527   1.289
   33   1HZ   LYS   4          1HZ       LYS   4   6.103  10.638  -1.541
   34   2HZ   LYS   4          2HZ       LYS   4   5.869  12.174  -0.859
   35   3HZ   LYS   4          3HZ       LYS   4   7.129  11.180  -0.301
   36    H    GLY   5           H        GLY   5   3.253   4.327   2.177
   37   1HA   GLY   5          1HA       GLY   5   4.475   3.560   4.008
   38   2HA   GLY   5          2HA       GLY   5   4.737   5.218   4.509
   39    H    ALA   6           H        ALA   6   1.472   4.775   4.088
   40    HA   ALA   6           HA       ALA   6   1.038   4.576   7.006
   41   1HB   ALA   6          1HB       ALA   6  -0.045   6.410   5.762
   42   2HB   ALA   6          2HB       ALA   6  -0.861   5.241   4.736
   43   3HB   ALA   6          3HB       ALA   6  -1.273   5.350   6.433
   44    HA   PRO   7           HA       PRO   7  -0.151   0.420   7.092
   45   1HB   PRO   7          1HB       PRO   7  -2.464   0.538   8.758
   46   2HB   PRO   7          2HB       PRO   7  -0.798   0.271   9.237
   47   1HG   PRO   7          1HG       PRO   7  -2.427   2.697   9.494
   48   2HG   PRO   7          2HG       PRO   7  -0.908   2.300  10.285
   49   1HD   PRO   7          1HD       PRO   7  -1.261   4.157   8.172
   50   2HD   PRO   7          2HD       PRO   7   0.288   3.542   8.769
   51    H    CYS   8           H        CYS   8  -0.746  -0.159   5.087
   52    HA   CYS   8           HA       CYS   8  -3.619   0.038   4.298
   53   1HB   CYS   8          1HB       CYS   8  -2.698  -0.229   1.976
   54   2HB   CYS   8          2HB       CYS   8  -2.367   1.239   2.776
   55    H    ARG   9           H        ARG   9  -3.823  -1.530   2.292
   56    HA   ARG   9           HA       ARG   9  -3.017  -4.292   2.890
   57   1HB   ARG   9          1HB       ARG   9  -5.076  -3.831   4.188
   58   2HB   ARG   9          2HB       ARG   9  -5.849  -3.256   2.721
   59   1HG   ARG   9          1HG       ARG   9  -5.560  -5.488   1.722
   60   2HG   ARG   9          2HG       ARG   9  -4.841  -6.081   3.200
   61   1HD   ARG   9          1HD       ARG   9  -7.288  -6.639   3.084
   62   2HD   ARG   9          2HD       ARG   9  -6.922  -5.623   4.469
   63    HE   ARG   9           HE       ARG   9  -8.377  -4.820   2.013
   64   1HH1  ARG   9          1HH1      ARG   9  -6.963  -3.894   5.059
   65   2HH1  ARG   9          2HH1      ARG   9  -7.847  -2.409   5.128
   66   1HH2  ARG   9          1HH2      ARG   9  -9.486  -2.938   2.113
   67   2HH2  ARG   9          2HH2      ARG   9  -9.280  -1.856   3.449
   68    H    LYS  10           H        LYS  10  -2.070  -4.649   1.093
   69    HA   LYS  10           HA       LYS  10  -2.346  -3.588  -1.481
   70   1HB   LYS  10          1HB       LYS  10  -1.624  -6.526  -1.164
   71   2HB   LYS  10          2HB       LYS  10  -1.051  -5.389  -2.350
   72   1HG   LYS  10          1HG       LYS  10   0.837  -5.507  -1.016
   73   2HG   LYS  10          2HG       LYS  10   0.018  -4.138  -0.310
   74   1HD   LYS  10          1HD       LYS  10   0.790  -5.567   1.500
   75   2HD   LYS  10          2HD       LYS  10  -0.929  -5.668   1.524
   76   1HE   LYS  10          1HE       LYS  10   0.021  -7.892   1.760
   77   2HE   LYS  10          2HE       LYS  10  -0.881  -7.802   0.260
   78   1HZ   LYS  10          1HZ       LYS  10   1.977  -7.161   0.221
   79   2HZ   LYS  10          2HZ       LYS  10   1.505  -8.788   0.333
   80   3HZ   LYS  10          3HZ       LYS  10   1.004  -7.844  -0.987
   81    H    THR  11           H        THR  11  -4.034  -6.126   0.052
   82    HA   THR  11           HA       THR  11  -5.322  -7.689  -1.734
   83    HB   THR  11           HB       THR  11  -6.828  -6.137   0.441
   84    HG1  THR  11           HG1      THR  11  -5.253  -8.516   0.344
   85   1HG2  THR  11          1HG2      THR  11  -7.243  -8.970  -0.696
   86   2HG2  THR  11          2HG2      THR  11  -8.211  -8.211   0.558
   87   3HG2  THR  11          3HG2      THR  11  -8.288  -7.612  -1.088
   88    H    MET  12           H        MET  12  -6.269  -4.376  -1.088
   89    HA   MET  12           HA       MET  12  -7.567  -4.232  -3.771
   90   1HB   MET  12          1HB       MET  12  -9.478  -2.985  -2.749
   91   2HB   MET  12          2HB       MET  12  -9.338  -4.615  -2.126
   92   1HG   MET  12          1HG       MET  12  -8.267  -3.851  -0.103
   93   2HG   MET  12          2HG       MET  12  -8.225  -2.209  -0.662
   94   1HE   MET  12          1HE       MET  12  -9.904  -5.018   0.936
   95   2HE   MET  12          2HE       MET  12 -11.506  -4.489   1.391
   96   3HE   MET  12          3HE       MET  12 -11.215  -5.044  -0.259
   97    H    TYR  13           H        TYR  13  -5.117  -3.275  -2.205
   98    HA   TYR  13           HA       TYR  13  -3.762  -1.401  -2.074
   99   1HB   TYR  13          1HB       TYR  13  -5.354  -0.727  -4.612
  100   2HB   TYR  13          2HB       TYR  13  -3.838   0.038  -4.147
  101    HD1  TYR  13           HD1      TYR  13  -1.884  -1.645  -3.543
  102    HD2  TYR  13           HD2      TYR  13  -5.228  -2.661  -5.979
  103    HE1  TYR  13           HE1      TYR  13  -0.614  -3.496  -4.510
  104    HE2  TYR  13           HE2      TYR  13  -3.951  -4.513  -6.946
  105    HH   TYR  13           HH       TYR  13  -1.351  -4.981  -7.272
  106    H    ASP  14           H        ASP  14  -4.860  -1.009  -0.221
  107    HA   ASP  14           HA       ASP  14  -6.987   0.965   0.010
  108   1HB   ASP  14          1HB       ASP  14  -6.807  -0.903   1.570
  109   2HB   ASP  14          2HB       ASP  14  -5.197  -0.487   2.015
  110    H    CYS  15           H        CYS  15  -4.272   1.536  -1.193
  111    HA   CYS  15           HA       CYS  15  -3.561   3.942   0.431
  112   1HB   CYS  15          1HB       CYS  15  -1.831   2.496  -1.559
  113   2HB   CYS  15          2HB       CYS  15  -1.360   3.845  -0.560
  114    H    CYS  16           H        CYS  16  -3.022   5.857  -0.571
  115    HA   CYS  16           HA       CYS  16  -4.578   6.546  -2.882
  116   1HB   CYS  16          1HB       CYS  16  -2.323   8.043  -1.497
  117   2HB   CYS  16          2HB       CYS  16  -3.487   8.752  -2.580
  118    H    SER  17           H        SER  17  -1.354   5.618  -2.140
  119    HA   SER  17           HA       SER  17  -0.012   6.278  -4.591
  120   1HB   SER  17          1HB       SER  17   1.210   5.798  -2.454
  121   2HB   SER  17          2HB       SER  17   0.648   4.121  -2.510
  122    HG   SER  17           HG       SER  17   2.437   5.472  -4.183
  123    H    GLY  18           H        GLY  18  -2.018   3.677  -3.520
  124   1HA   GLY  18          1HA       GLY  18  -3.093   1.990  -4.713
  125   2HA   GLY  18          2HA       GLY  18  -2.398   2.648  -6.186
  126    H    SER  19           H        SER  19   0.075   2.164  -4.104
  127    HA   SER  19           HA       SER  19   0.598  -0.652  -4.948
  128   1HB   SER  19          1HB       SER  19   2.993   0.082  -5.417
  129   2HB   SER  19          2HB       SER  19   1.844   0.926  -6.464
  130    HG   SER  19           HG       SER  19   3.224   1.841  -4.214
  131    H    CYS  20           H        CYS  20  -0.332  -0.832  -2.765
  132    HA   CYS  20           HA       CYS  20   1.113   0.069  -0.468
  133   1HB   CYS  20          1HB       CYS  20  -1.205  -0.481  -0.280
  134   2HB   CYS  20          2HB       CYS  20  -0.979  -2.099  -0.817
  135    H    GLY  21           H        GLY  21   2.692  -0.697   0.605
  136   1HA   GLY  21          1HA       GLY  21   4.463  -2.726  -0.359
  137   2HA   GLY  21          2HA       GLY  21   4.591  -1.900   1.193
  138    H    ARG  22           H        ARG  22   4.977  -4.674   0.507
  139    HA   ARG  22           HA       ARG  22   2.805  -6.276   1.562
  140   1HB   ARG  22          1HB       ARG  22   4.469  -7.102  -0.118
  141   2HB   ARG  22          2HB       ARG  22   5.736  -6.985   1.087
  142   1HG   ARG  22          1HG       ARG  22   4.614  -8.695   2.484
  143   2HG   ARG  22          2HG       ARG  22   3.255  -8.750   1.379
  144   1HD   ARG  22          1HD       ARG  22   4.758 -10.650   0.924
  145   2HD   ARG  22          2HD       ARG  22   4.829  -9.535  -0.424
  146    HE   ARG  22           HE       ARG  22   7.010  -8.841   0.236
  147   1HH1  ARG  22          1HH1      ARG  22   5.650 -11.207   2.397
  148   2HH1  ARG  22          2HH1      ARG  22   7.179 -11.567   3.120
  149   1HH2  ARG  22          1HH2      ARG  22   8.935  -9.291   1.158
  150   2HH2  ARG  22          2HH2      ARG  22   9.056 -10.473   2.419
  151    H    ARG  23           H        ARG  23   5.199  -4.392   2.999
  152    HA   ARG  23           HA       ARG  23   5.469  -5.950   5.464
  153   1HB   ARG  23          1HB       ARG  23   6.724  -3.965   6.278
  154   2HB   ARG  23          2HB       ARG  23   7.294  -4.464   4.699
  155   1HG   ARG  23          1HG       ARG  23   5.933  -2.676   3.621
  156   2HG   ARG  23          2HG       ARG  23   5.319  -2.188   5.189
  157   1HD   ARG  23          1HD       ARG  23   7.623  -1.659   5.933
  158   2HD   ARG  23          2HD       ARG  23   8.254  -2.132   4.355
  159    HE   ARG  23           HE       ARG  23   6.442  -0.303   3.592
  160   1HH1  ARG  23          1HH1      ARG  23   8.736  -0.206   6.200
  161   2HH1  ARG  23          2HH1      ARG  23   8.878   1.517   6.145
  162   1HH2  ARG  23          1HH2      ARG  23   6.617   1.867   3.515
  163   2HH2  ARG  23          2HH2      ARG  23   7.669   2.707   4.606
  164    H    GLY  24           H        GLY  24   3.003  -4.255   4.136
  165   1HA   GLY  24          1HA       GLY  24   0.881  -3.958   5.161
  166   2HA   GLY  24          2HA       GLY  24   1.644  -3.885   6.739
  167    H    LYS  25           H        LYS  25   3.291  -1.993   4.483
  168    HA   LYS  25           HA       LYS  25   1.844   0.491   5.389
  169   1HB   LYS  25          1HB       LYS  25   4.764   0.230   4.596
  170   2HB   LYS  25          2HB       LYS  25   3.994   1.669   5.204
  171   1HG   LYS  25          1HG       LYS  25   4.311  -0.887   6.828
  172   2HG   LYS  25          2HG       LYS  25   5.324   0.534   6.984
  173   1HD   LYS  25          1HD       LYS  25   3.385   1.896   7.649
  174   2HD   LYS  25          2HD       LYS  25   2.301   0.542   7.430
  175   1HE   LYS  25          1HE       LYS  25   3.545  -0.705   9.206
  176   2HE   LYS  25          2HE       LYS  25   4.597   0.692   9.423
  177   1HZ   LYS  25          1HZ       LYS  25   1.654   0.796   9.709
  178   2HZ   LYS  25          2HZ       LYS  25   2.726   0.548  11.005
  179   3HZ   LYS  25          3HZ       LYS  25   2.780   2.000  10.122
  180    H    CYS  26           H        CYS  26   1.976   2.245   3.825
  181    HA   CYS  26           HA       CYS  26   1.375   1.243   1.147
  182   1HB   CYS  26          1HB       CYS  26   1.350   4.010   2.300
  183   2HB   CYS  26          2HB       CYS  26   0.889   3.642   0.660
  184   1HN   NH2  27          1HT       NH2  27   2.167   2.536  -0.831
  185   2HN   NH2  27          2HT       NH2  27   3.837   2.825  -0.915
  Start of MODEL    5
    1   1H    CYS   1          1H        CYS   1  -8.157   8.052   1.225
    2   2H    CYS   1          2H        CYS   1  -9.054   6.811   0.493
    3   3H    CYS   1          3H        CYS   1  -8.705   6.741   2.154
    4    HA   CYS   1           HA       CYS   1  -7.269   5.231   1.015
    5   1HB   CYS   1          1HB       CYS   1  -5.705   6.044  -0.671
    6   2HB   CYS   1          2HB       CYS   1  -7.340   6.315  -1.195
    7    H    LYS   2           H        LYS   2  -5.206   4.900   1.649
    8    HA   LYS   2           HA       LYS   2  -4.234   6.631   3.834
    9   1HB   LYS   2          1HB       LYS   2  -3.635   3.774   2.981
   10   2HB   LYS   2          2HB       LYS   2  -2.773   4.557   4.276
   11   1HG   LYS   2          1HG       LYS   2  -4.589   3.144   5.134
   12   2HG   LYS   2          2HG       LYS   2  -4.796   4.821   5.588
   13   1HD   LYS   2          1HD       LYS   2  -6.548   5.118   3.908
   14   2HD   LYS   2          2HD       LYS   2  -6.280   3.519   3.252
   15   1HE   LYS   2          1HE       LYS   2  -8.253   3.561   4.754
   16   2HE   LYS   2          2HE       LYS   2  -6.999   2.601   5.521
   17   1HZ   LYS   2          1HZ       LYS   2  -7.291   5.484   6.060
   18   2HZ   LYS   2          2HZ       LYS   2  -8.162   4.310   6.925
   19   3HZ   LYS   2          3HZ       LYS   2  -6.464   4.313   6.970
   20    H    GLY   3           H        GLY   3  -2.534   7.878   3.636
   21   1HA   GLY   3          1HA       GLY   3  -1.151   8.334   1.180
   22   2HA   GLY   3          2HA       GLY   3  -0.669   8.976   2.741
   23    H    LYS   4           H        LYS   4   1.430   8.498   1.388
   24    HA   LYS   4           HA       LYS   4   2.421   5.856   1.101
   25   1HB   LYS   4          1HB       LYS   4   3.425   7.845   0.019
   26   2HB   LYS   4          2HB       LYS   4   3.960   8.425   1.586
   27   1HG   LYS   4          1HG       LYS   4   5.399   6.412   1.864
   28   2HG   LYS   4          2HG       LYS   4   4.799   5.752   0.359
   29   1HD   LYS   4          1HD       LYS   4   7.008   6.747   0.009
   30   2HD   LYS   4          2HD       LYS   4   5.810   7.672  -0.872
   31   1HE   LYS   4          1HE       LYS   4   5.791   9.390   0.931
   32   2HE   LYS   4          2HE       LYS   4   6.959   8.444   1.848
   33   1HZ   LYS   4          1HZ       LYS   4   8.502   8.668   0.001
   34   2HZ   LYS   4          2HZ       LYS   4   7.371   9.609  -0.845
   35   3HZ   LYS   4          3HZ       LYS   4   8.033  10.181   0.611
   36    H    GLY   5           H        GLY   5   3.462   4.492   2.367
   37   1HA   GLY   5          1HA       GLY   5   4.386   3.460   4.227
   38   2HA   GLY   5          2HA       GLY   5   4.719   5.045   4.894
   39    H    ALA   6           H        ALA   6   1.488   4.902   4.193
   40    HA   ALA   6           HA       ALA   6   0.788   4.617   7.034
   41   1HB   ALA   6          1HB       ALA   6  -0.910   5.241   4.598
   42   2HB   ALA   6          2HB       ALA   6  -1.471   5.356   6.254
   43   3HB   ALA   6          3HB       ALA   6  -0.207   6.428   5.679
   44    HA   PRO   7           HA       PRO   7  -0.243   0.434   6.939
   45   1HB   PRO   7          1HB       PRO   7  -2.371   0.272   8.739
   46   2HB   PRO   7          2HB       PRO   7  -0.672   0.412   9.161
   47   1HG   PRO   7          1HG       PRO   7  -2.789   2.493   9.226
   48   2HG   PRO   7          2HG       PRO   7  -1.318   2.370  10.182
   49   1HD   PRO   7          1HD       PRO   7  -1.695   4.093   7.976
   50   2HD   PRO   7          2HD       PRO   7  -0.132   3.669   8.695
   51    H    CYS   8           H        CYS   8  -0.870   0.249   4.831
   52    HA   CYS   8           HA       CYS   8  -3.723   0.335   4.073
   53   1HB   CYS   8          1HB       CYS   8  -2.788  -0.071   1.795
   54   2HB   CYS   8          2HB       CYS   8  -2.238   1.367   2.540
   55    H    ARG   9           H        ARG   9  -3.860  -1.423   2.140
   56    HA   ARG   9           HA       ARG   9  -3.270  -4.148   3.121
   57   1HB   ARG   9          1HB       ARG   9  -6.041  -3.151   2.260
   58   2HB   ARG   9          2HB       ARG   9  -5.651  -4.804   2.703
   59   1HG   ARG   9          1HG       ARG   9  -5.105  -4.056   5.018
   60   2HG   ARG   9          2HG       ARG   9  -5.491  -2.401   4.579
   61   1HD   ARG   9          1HD       ARG   9  -7.447  -4.739   4.480
   62   2HD   ARG   9          2HD       ARG   9  -7.435  -3.485   5.710
   63    HE   ARG   9           HE       ARG   9  -8.481  -3.243   3.004
   64   1HH1  ARG   9          1HH1      ARG   9  -7.105  -1.524   5.686
   65   2HH1  ARG   9          2HH1      ARG   9  -7.822  -0.017   5.225
   66   1HH2  ARG   9          1HH2      ARG   9  -9.398  -1.348   2.416
   67   2HH2  ARG   9          2HH2      ARG   9  -9.136   0.086   3.353
   68    H    LYS  10           H        LYS  10  -2.283  -4.980   1.630
   69    HA   LYS  10           HA       LYS  10  -1.857  -4.205  -1.066
   70   1HB   LYS  10          1HB       LYS  10  -1.842  -7.054  -0.014
   71   2HB   LYS  10          2HB       LYS  10  -0.912  -6.393  -1.352
   72   1HG   LYS  10          1HG       LYS  10   0.523  -5.206   0.039
   73   2HG   LYS  10          2HG       LYS  10  -0.547  -5.210   1.422
   74   1HD   LYS  10          1HD       LYS  10   1.059  -6.779   1.936
   75   2HD   LYS  10          2HD       LYS  10  -0.341  -7.687   1.472
   76   1HE   LYS  10          1HE       LYS  10   1.932  -7.191  -0.452
   77   2HE   LYS  10          2HE       LYS  10   1.750  -8.661   0.502
   78   1HZ   LYS  10          1HZ       LYS  10  -0.636  -8.515  -0.642
   79   2HZ   LYS  10          2HZ       LYS  10   0.308  -7.769  -1.842
   80   3HZ   LYS  10          3HZ       LYS  10   0.680  -9.340  -1.321
   81    H    THR  11           H        THR  11  -3.814  -6.428   0.492
   82    HA   THR  11           HA       THR  11  -5.278  -7.980  -1.088
   83    HB   THR  11           HB       THR  11  -6.438  -6.170   1.098
   84    HG1  THR  11           HG1      THR  11  -5.150  -7.363   2.232
   85   1HG2  THR  11          1HG2      THR  11  -7.260  -9.006   0.186
   86   2HG2  THR  11          2HG2      THR  11  -8.011  -8.083   1.480
   87   3HG2  THR  11          3HG2      THR  11  -8.208  -7.576  -0.187
   88    H    MET  12           H        MET  12  -5.671  -4.577  -0.937
   89    HA   MET  12           HA       MET  12  -7.205  -4.551  -3.467
   90   1HB   MET  12          1HB       MET  12  -9.023  -3.126  -2.480
   91   2HB   MET  12          2HB       MET  12  -8.974  -4.719  -1.749
   92   1HG   MET  12          1HG       MET  12  -7.684  -3.841   0.156
   93   2HG   MET  12          2HG       MET  12  -7.630  -2.259  -0.562
   94   1HE   MET  12          1HE       MET  12  -9.844  -0.856  -1.070
   95   2HE   MET  12          2HE       MET  12 -10.668  -0.505   0.438
   96   3HE   MET  12          3HE       MET  12  -8.915  -0.433   0.388
   97    H    TYR  13           H        TYR  13  -4.717  -3.406  -1.868
   98    HA   TYR  13           HA       TYR  13  -3.375  -1.502  -1.941
   99   1HB   TYR  13          1HB       TYR  13  -4.897  -1.170  -4.586
  100   2HB   TYR  13          2HB       TYR  13  -3.394  -0.352  -4.187
  101    HD1  TYR  13           HD1      TYR  13  -1.411  -1.917  -3.425
  102    HD2  TYR  13           HD2      TYR  13  -4.792  -3.298  -5.619
  103    HE1  TYR  13           HE1      TYR  13  -0.146  -3.882  -4.139
  104    HE2  TYR  13           HE2      TYR  13  -3.524  -5.263  -6.331
  105    HH   TYR  13           HH       TYR  13  -0.292  -5.511  -6.212
  106    H    ASP  14           H        ASP  14  -4.600  -0.929  -0.183
  107    HA   ASP  14           HA       ASP  14  -6.788   0.973  -0.276
  108   1HB   ASP  14          1HB       ASP  14  -6.690  -0.758   1.395
  109   2HB   ASP  14          2HB       ASP  14  -5.117  -0.300   1.928
  110    H    CYS  15           H        CYS  15  -3.924   1.532  -1.229
  111    HA   CYS  15           HA       CYS  15  -3.354   4.012   0.327
  112   1HB   CYS  15          1HB       CYS  15  -1.696   2.670  -1.776
  113   2HB   CYS  15          2HB       CYS  15  -1.220   4.007  -0.747
  114    H    CYS  16           H        CYS  16  -2.957   5.964  -0.649
  115    HA   CYS  16           HA       CYS  16  -4.720   6.717  -2.774
  116   1HB   CYS  16          1HB       CYS  16  -2.312   8.149  -1.605
  117   2HB   CYS  16          2HB       CYS  16  -3.574   8.907  -2.527
  118    H    SER  17           H        SER  17  -1.473   5.729  -2.466
  119    HA   SER  17           HA       SER  17  -0.583   6.367  -5.177
  120   1HB   SER  17          1HB       SER  17   0.978   6.359  -3.176
  121   2HB   SER  17          2HB       SER  17   0.709   4.622  -3.023
  122    HG   SER  17           HG       SER  17   1.431   4.359  -5.149
  123    H    GLY  18           H        GLY  18  -1.970   3.757  -3.401
  124   1HA   GLY  18          1HA       GLY  18  -2.945   1.766  -4.092
  125   2HA   GLY  18          2HA       GLY  18  -2.649   2.241  -5.764
  126    H    SER  19           H        SER  19   0.130   2.403  -3.925
  127    HA   SER  19           HA       SER  19   1.132  -0.216  -4.958
  128   1HB   SER  19          1HB       SER  19   3.395   0.931  -4.879
  129   2HB   SER  19          2HB       SER  19   2.256   1.841  -5.881
  130    HG   SER  19           HG       SER  19   3.013   2.304  -3.203
  131    H    CYS  20           H        CYS  20  -0.309  -0.502  -2.777
  132    HA   CYS  20           HA       CYS  20   1.035  -0.116  -0.286
  133   1HB   CYS  20          1HB       CYS  20  -1.360  -0.472  -0.425
  134   2HB   CYS  20          2HB       CYS  20  -1.156  -2.076  -1.036
  135    H    GLY  21           H        GLY  21   2.806  -0.936   0.289
  136   1HA   GLY  21          1HA       GLY  21   4.244  -3.093  -0.792
  137   2HA   GLY  21          2HA       GLY  21   4.576  -2.329   0.747
  138    H    ARG  22           H        ARG  22   5.177  -4.788   0.448
  139    HA   ARG  22           HA       ARG  22   3.297  -6.831   1.164
  140   1HB   ARG  22          1HB       ARG  22   5.572  -7.047   0.017
  141   2HB   ARG  22          2HB       ARG  22   6.319  -6.739   1.560
  142   1HG   ARG  22          1HG       ARG  22   4.566  -9.129   0.918
  143   2HG   ARG  22          2HG       ARG  22   6.309  -9.143   0.928
  144   1HD   ARG  22          1HD       ARG  22   6.283  -8.638   3.393
  145   2HD   ARG  22          2HD       ARG  22   4.529  -8.771   3.374
  146    HE   ARG  22           HE       ARG  22   6.377 -10.977   3.220
  147   1HH1  ARG  22          1HH1      ARG  22   3.218  -9.832   2.359
  148   2HH1  ARG  22          2HH1      ARG  22   2.546 -11.425   2.265
  149   1HH2  ARG  22          1HH2      ARG  22   5.546 -12.997   3.105
  150   2HH2  ARG  22          2HH2      ARG  22   3.881 -13.243   2.693
  151    H    ARG  23           H        ARG  23   5.254  -4.583   2.938
  152    HA   ARG  23           HA       ARG  23   4.817  -5.800   5.551
  153   1HB   ARG  23          1HB       ARG  23   5.912  -3.705   6.391
  154   2HB   ARG  23          2HB       ARG  23   6.848  -4.514   5.156
  155   1HG   ARG  23          1HG       ARG  23   6.049  -2.941   3.431
  156   2HG   ARG  23          2HG       ARG  23   4.974  -2.168   4.577
  157   1HD   ARG  23          1HD       ARG  23   8.020  -2.250   4.821
  158   2HD   ARG  23          2HD       ARG  23   7.080  -0.868   4.257
  159    HE   ARG  23           HE       ARG  23   6.106  -1.754   6.809
  160   1HH1  ARG  23          1HH1      ARG  23   8.733  -0.068   5.305
  161   2HH1  ARG  23          2HH1      ARG  23   9.068   0.887   6.708
  162   1HH2  ARG  23          1HH2      ARG  23   6.507  -0.565   8.588
  163   2HH2  ARG  23          2HH2      ARG  23   7.788   0.599   8.606
  164    H    GLY  24           H        GLY  24   2.588  -4.613   3.684
  165   1HA   GLY  24          1HA       GLY  24   0.432  -3.848   4.078
  166   2HA   GLY  24          2HA       GLY  24   0.763  -3.942   5.802
  167    H    LYS  25           H        LYS  25   3.012  -2.050   4.095
  168    HA   LYS  25           HA       LYS  25   1.646   0.468   5.022
  169   1HB   LYS  25          1HB       LYS  25   4.595   0.100   4.371
  170   2HB   LYS  25          2HB       LYS  25   3.856   1.500   5.098
  171   1HG   LYS  25          1HG       LYS  25   4.032  -1.223   6.424
  172   2HG   LYS  25          2HG       LYS  25   5.006   0.185   6.800
  173   1HD   LYS  25          1HD       LYS  25   3.078   1.446   7.555
  174   2HD   LYS  25          2HD       LYS  25   1.989   0.149   7.116
  175   1HE   LYS  25          1HE       LYS  25   4.233  -0.035   9.179
  176   2HE   LYS  25          2HE       LYS  25   2.518   0.071   9.548
  177   1HZ   LYS  25          1HZ       LYS  25   2.453  -2.002   7.958
  178   2HZ   LYS  25          2HZ       LYS  25   4.057  -2.165   8.487
  179   3HZ   LYS  25          3HZ       LYS  25   2.788  -2.153   9.618
  180    H    CYS  26           H        CYS  26   1.949   2.302   3.603
  181    HA   CYS  26           HA       CYS  26   1.512   1.526   0.822
  182   1HB   CYS  26          1HB       CYS  26   1.515   4.166   2.203
  183   2HB   CYS  26          2HB       CYS  26   1.091   3.966   0.519
  184   1HN   NH2  27          1HT       NH2  27   2.531   2.457  -1.044
  185   2HN   NH2  27          2HT       NH2  27   4.170   2.877  -1.025
  Start of MODEL    6
    1   1H    CYS   1          1H        CYS   1  -8.782   6.568   1.958
    2   2H    CYS   1          2H        CYS   1  -8.220   7.899   1.065
    3   3H    CYS   1          3H        CYS   1  -9.116   6.678   0.295
    4    HA   CYS   1           HA       CYS   1  -7.362   5.084   0.717
    5   1HB   CYS   1          1HB       CYS   1  -5.724   6.018  -0.833
    6   2HB   CYS   1          2HB       CYS   1  -7.336   6.365  -1.380
    7    H    LYS   2           H        LYS   2  -4.985   4.955   1.082
    8    HA   LYS   2           HA       LYS   2  -4.245   6.461   3.562
    9   1HB   LYS   2          1HB       LYS   2  -3.412   3.682   2.651
   10   2HB   LYS   2          2HB       LYS   2  -2.893   4.435   4.135
   11   1HG   LYS   2          1HG       LYS   2  -5.759   3.687   3.405
   12   2HG   LYS   2          2HG       LYS   2  -4.735   2.868   4.562
   13   1HD   LYS   2          1HD       LYS   2  -5.797   5.714   4.846
   14   2HD   LYS   2          2HD       LYS   2  -6.362   4.305   5.711
   15   1HE   LYS   2          1HE       LYS   2  -4.120   4.035   6.773
   16   2HE   LYS   2          2HE       LYS   2  -3.565   5.470   5.917
   17   1HZ   LYS   2          1HZ       LYS   2  -5.825   5.414   7.817
   18   2HZ   LYS   2          2HZ       LYS   2  -4.254   5.959   8.165
   19   3HZ   LYS   2          3HZ       LYS   2  -5.203   6.780   7.022
   20    H    GLY   3           H        GLY   3  -2.698   7.833   3.375
   21   1HA   GLY   3          1HA       GLY   3  -1.096   8.308   1.080
   22   2HA   GLY   3          2HA       GLY   3  -0.764   8.955   2.681
   23    H    LYS   4           H        LYS   4   1.352   8.338   1.099
   24    HA   LYS   4           HA       LYS   4   2.436   5.793   1.074
   25   1HB   LYS   4          1HB       LYS   4   3.870   8.440   1.464
   26   2HB   LYS   4          2HB       LYS   4   4.610   6.914   1.018
   27   1HG   LYS   4          1HG       LYS   4   3.246   6.795  -1.035
   28   2HG   LYS   4          2HG       LYS   4   2.396   8.256  -0.589
   29   1HD   LYS   4          1HD       LYS   4   4.049   8.786  -2.294
   30   2HD   LYS   4          2HD       LYS   4   4.497   9.563  -0.796
   31   1HE   LYS   4          1HE       LYS   4   5.734   6.968  -1.813
   32   2HE   LYS   4          2HE       LYS   4   6.455   8.556  -1.995
   33   1HZ   LYS   4          1HZ       LYS   4   5.959   8.438   0.646
   34   2HZ   LYS   4          2HZ       LYS   4   6.382   6.831   0.286
   35   3HZ   LYS   4          3HZ       LYS   4   7.448   8.096  -0.096
   36    H    GLY   5           H        GLY   5   3.411   4.476   2.381
   37   1HA   GLY   5          1HA       GLY   5   4.386   3.515   4.254
   38   2HA   GLY   5          2HA       GLY   5   4.687   5.122   4.881
   39    H    ALA   6           H        ALA   6   1.430   4.806   4.202
   40    HA   ALA   6           HA       ALA   6   0.781   4.607   7.066
   41   1HB   ALA   6          1HB       ALA   6  -0.311   6.319   5.664
   42   2HB   ALA   6          2HB       ALA   6  -0.988   5.059   4.644
   43   3HB   ALA   6          3HB       ALA   6  -1.508   5.212   6.311
   44    HA   PRO   7           HA       PRO   7  -0.159   0.372   7.116
   45   1HB   PRO   7          1HB       PRO   7  -2.268   0.234   8.944
   46   2HB   PRO   7          2HB       PRO   7  -0.567   0.404   9.346
   47   1HG   PRO   7          1HG       PRO   7  -2.704   2.460   9.388
   48   2HG   PRO   7          2HG       PRO   7  -1.214   2.385  10.317
   49   1HD   PRO   7          1HD       PRO   7  -1.667   4.033   8.068
   50   2HD   PRO   7          2HD       PRO   7  -0.083   3.670   8.775
   51    H    CYS   8           H        CYS   8  -0.804   0.242   4.982
   52    HA   CYS   8           HA       CYS   8  -3.694   0.115   4.352
   53   1HB   CYS   8          1HB       CYS   8  -2.827  -0.092   2.010
   54   2HB   CYS   8          2HB       CYS   8  -2.543   1.428   2.763
   55    H    ARG   9           H        ARG   9  -4.498  -1.409   3.034
   56    HA   ARG   9           HA       ARG   9  -3.431  -4.162   3.334
   57   1HB   ARG   9          1HB       ARG   9  -5.866  -4.769   3.158
   58   2HB   ARG   9          2HB       ARG   9  -5.473  -3.714   4.503
   59   1HG   ARG   9          1HG       ARG   9  -6.274  -1.761   3.192
   60   2HG   ARG   9          2HG       ARG   9  -6.730  -2.792   1.859
   61   1HD   ARG   9          1HD       ARG   9  -8.718  -2.306   3.151
   62   2HD   ARG   9          2HD       ARG   9  -8.306  -3.966   3.568
   63    HE   ARG   9           HE       ARG   9  -7.981  -1.578   5.274
   64   1HH1  ARG   9          1HH1      ARG   9  -7.306  -4.943   4.807
   65   2HH1  ARG   9          2HH1      ARG   9  -6.906  -5.203   6.471
   66   1HH2  ARG   9          1HH2      ARG   9  -7.484  -1.861   7.338
   67   2HH2  ARG   9          2HH2      ARG   9  -7.007  -3.415   7.942
   68    H    LYS  10           H        LYS  10  -2.225  -4.376   1.611
   69    HA   LYS  10           HA       LYS  10  -2.617  -3.306  -1.002
   70   1HB   LYS  10          1HB       LYS  10  -0.845  -4.835  -1.711
   71   2HB   LYS  10          2HB       LYS  10  -0.448  -4.208  -0.131
   72   1HG   LYS  10          1HG       LYS  10  -1.586  -6.973  -0.649
   73   2HG   LYS  10          2HG       LYS  10   0.089  -6.603  -0.325
   74   1HD   LYS  10          1HD       LYS  10  -0.610  -5.690   1.946
   75   2HD   LYS  10          2HD       LYS  10  -2.244  -6.250   1.605
   76   1HE   LYS  10          1HE       LYS  10  -1.069  -7.930   2.937
   77   2HE   LYS  10          2HE       LYS  10  -1.459  -8.566   1.346
   78   1HZ   LYS  10          1HZ       LYS  10   1.139  -7.273   1.794
   79   2HZ   LYS  10          2HZ       LYS  10   0.892  -8.870   2.320
   80   3HZ   LYS  10          3HZ       LYS  10   0.710  -8.478   0.677
   81    H    THR  11           H        THR  11  -4.179  -5.727   0.620
   82    HA   THR  11           HA       THR  11  -4.926  -7.717  -1.141
   83    HB   THR  11           HB       THR  11  -6.576  -6.241   0.984
   84    HG1  THR  11           HG1      THR  11  -4.886  -8.513   0.925
   85   1HG2  THR  11          1HG2      THR  11  -6.844  -9.131  -0.074
   86   2HG2  THR  11          2HG2      THR  11  -7.834  -8.400   1.179
   87   3HG2  THR  11          3HG2      THR  11  -7.988  -7.864  -0.486
   88    H    MET  12           H        MET  12  -6.017  -4.440  -0.955
   89    HA   MET  12           HA       MET  12  -7.281  -4.617  -3.630
   90   1HB   MET  12          1HB       MET  12  -9.285  -3.338  -2.802
   91   2HB   MET  12          2HB       MET  12  -9.128  -4.913  -2.059
   92   1HG   MET  12          1HG       MET  12  -8.191  -2.373  -0.739
   93   2HG   MET  12          2HG       MET  12  -9.742  -3.104  -0.452
   94   1HE   MET  12          1HE       MET  12  -9.825  -5.807   0.147
   95   2HE   MET  12          2HE       MET  12  -9.174  -6.043   1.755
   96   3HE   MET  12          3HE       MET  12 -10.224  -4.668   1.455
   97    H    TYR  13           H        TYR  13  -4.913  -3.431  -2.125
   98    HA   TYR  13           HA       TYR  13  -3.627  -1.500  -2.114
   99   1HB   TYR  13          1HB       TYR  13  -5.186  -1.094  -4.727
  100   2HB   TYR  13          2HB       TYR  13  -3.697  -0.255  -4.308
  101    HD1  TYR  13           HD1      TYR  13  -1.588  -1.588  -3.941
  102    HD2  TYR  13           HD2      TYR  13  -5.132  -3.399  -5.461
  103    HE1  TYR  13           HE1      TYR  13  -0.280  -3.511  -4.703
  104    HE2  TYR  13           HE2      TYR  13  -3.820  -5.321  -6.221
  105    HH   TYR  13           HH       TYR  13  -0.565  -5.312  -6.561
  106    H    ASP  14           H        ASP  14  -4.839  -1.000  -0.303
  107    HA   ASP  14           HA       ASP  14  -6.973   0.974  -0.321
  108   1HB   ASP  14          1HB       ASP  14  -6.891  -0.738   1.307
  109   2HB   ASP  14          2HB       ASP  14  -5.277  -0.369   1.802
  110    H    CYS  15           H        CYS  15  -4.018   1.467  -1.224
  111    HA   CYS  15           HA       CYS  15  -3.474   3.939   0.344
  112   1HB   CYS  15          1HB       CYS  15  -1.788   2.546  -1.703
  113   2HB   CYS  15          2HB       CYS  15  -1.303   3.936  -0.765
  114    H    CYS  16           H        CYS  16  -2.935   5.877  -0.602
  115    HA   CYS  16           HA       CYS  16  -4.608   6.708  -2.794
  116   1HB   CYS  16          1HB       CYS  16  -2.260   8.119  -1.466
  117   2HB   CYS  16          2HB       CYS  16  -3.512   8.876  -2.409
  118    H    SER  17           H        SER  17  -1.361   5.739  -2.252
  119    HA   SER  17           HA       SER  17  -0.253   6.437  -4.845
  120   1HB   SER  17          1HB       SER  17   1.150   6.233  -2.748
  121   2HB   SER  17          2HB       SER  17   0.787   4.503  -2.701
  122    HG   SER  17           HG       SER  17   1.642   4.349  -4.817
  123    H    GLY  18           H        GLY  18  -2.035   3.856  -3.460
  124   1HA   GLY  18          1HA       GLY  18  -2.984   1.939  -4.345
  125   2HA   GLY  18          2HA       GLY  18  -2.578   2.555  -5.945
  126    H    SER  19           H        SER  19  -0.053   2.178  -3.676
  127    HA   SER  19           HA       SER  19   0.775  -0.471  -4.761
  128   1HB   SER  19          1HB       SER  19   3.114   0.482  -5.092
  129   2HB   SER  19          2HB       SER  19   1.934   1.312  -6.116
  130    HG   SER  19           HG       SER  19   1.696   2.826  -4.358
  131    H    CYS  20           H        CYS  20  -0.191  -0.901  -2.637
  132    HA   CYS  20           HA       CYS  20   1.337  -0.119  -0.265
  133   1HB   CYS  20          1HB       CYS  20  -1.094  -0.374  -0.191
  134   2HB   CYS  20          2HB       CYS  20  -0.993  -2.035  -0.619
  135    H    GLY  21           H        GLY  21   3.139  -1.025   0.219
  136   1HA   GLY  21          1HA       GLY  21   4.344  -3.289  -0.916
  137   2HA   GLY  21          2HA       GLY  21   4.854  -2.517   0.565
  138    H    ARG  22           H        ARG  22   5.403  -4.917   0.465
  139    HA   ARG  22           HA       ARG  22   3.526  -6.925   1.280
  140   1HB   ARG  22          1HB       ARG  22   6.546  -6.760   1.565
  141   2HB   ARG  22          2HB       ARG  22   5.636  -8.168   2.033
  142   1HG   ARG  22          1HG       ARG  22   6.696  -8.490  -0.144
  143   2HG   ARG  22          2HG       ARG  22   4.961  -8.576  -0.277
  144   1HD   ARG  22          1HD       ARG  22   6.538  -6.079  -0.998
  145   2HD   ARG  22          2HD       ARG  22   6.122  -7.338  -2.157
  146    HE   ARG  22           HE       ARG  22   3.780  -6.443  -0.735
  147   1HH1  ARG  22          1HH1      ARG  22   4.870  -4.622  -4.093
  148   2HH1  ARG  22          2HH1      ARG  22   6.021  -5.594  -3.239
  149   1HH2  ARG  22          1HH2      ARG  22   2.313  -5.218  -1.796
  150   2HH2  ARG  22          2HH2      ARG  22   2.739  -4.403  -3.264
  151    H    ARG  23           H        ARG  23   5.388  -4.577   2.997
  152    HA   ARG  23           HA       ARG  23   5.011  -5.767   5.637
  153   1HB   ARG  23          1HB       ARG  23   6.047  -3.652   6.445
  154   2HB   ARG  23          2HB       ARG  23   6.992  -4.393   5.170
  155   1HG   ARG  23          1HG       ARG  23   6.037  -2.846   3.491
  156   2HG   ARG  23          2HG       ARG  23   4.999  -2.127   4.703
  157   1HD   ARG  23          1HD       ARG  23   8.052  -2.098   4.769
  158   2HD   ARG  23          2HD       ARG  23   7.027  -0.742   4.303
  159    HE   ARG  23           HE       ARG  23   6.252  -1.689   6.896
  160   1HH1  ARG  23          1HH1      ARG  23   8.766   0.033   5.249
  161   2HH1  ARG  23          2HH1      ARG  23   9.204   0.955   6.647
  162   1HH2  ARG  23          1HH2      ARG  23   6.789  -0.538   8.677
  163   2HH2  ARG  23          2HH2      ARG  23   8.070   0.627   8.618
  164    H    GLY  24           H        GLY  24   2.800  -4.594   3.679
  165   1HA   GLY  24          1HA       GLY  24   0.609  -3.901   4.029
  166   2HA   GLY  24          2HA       GLY  24   0.896  -4.002   5.761
  167    H    LYS  25           H        LYS  25   3.051  -2.043   3.905
  168    HA   LYS  25           HA       LYS  25   1.661   0.426   4.927
  169   1HB   LYS  25          1HB       LYS  25   4.622   0.150   4.281
  170   2HB   LYS  25          2HB       LYS  25   3.831   1.528   4.985
  171   1HG   LYS  25          1HG       LYS  25   4.024  -1.162   6.385
  172   2HG   LYS  25          2HG       LYS  25   5.017   0.242   6.717
  173   1HD   LYS  25          1HD       LYS  25   3.031   1.546   7.380
  174   2HD   LYS  25          2HD       LYS  25   1.988   0.188   7.015
  175   1HE   LYS  25          1HE       LYS  25   2.472   0.284   9.439
  176   2HE   LYS  25          2HE       LYS  25   3.156  -1.177   8.740
  177   1HZ   LYS  25          1HZ       LYS  25   4.813   1.235   8.871
  178   2HZ   LYS  25          2HZ       LYS  25   4.557   0.336  10.289
  179   3HZ   LYS  25          3HZ       LYS  25   5.268  -0.399   8.933
  180    H    CYS  26           H        CYS  26   1.882   2.269   3.588
  181    HA   CYS  26           HA       CYS  26   1.425   1.610   0.786
  182   1HB   CYS  26          1HB       CYS  26   1.408   4.203   2.271
  183   2HB   CYS  26          2HB       CYS  26   0.946   4.040   0.595
  184   1HN   NH2  27          1HT       NH2  27   2.381   2.840  -1.026
  185   2HN   NH2  27          2HT       NH2  27   4.036   3.197  -1.003
  Start of MODEL    7
    1   1H    CYS   1          1H        CYS   1  -8.193   7.574   1.395
    2   2H    CYS   1          2H        CYS   1  -9.059   6.421   0.496
    3   3H    CYS   1          3H        CYS   1  -8.760   6.161   2.149
    4    HA   CYS   1           HA       CYS   1  -7.293   4.810   0.824
    5   1HB   CYS   1          1HB       CYS   1  -5.651   5.886  -0.632
    6   2HB   CYS   1          2HB       CYS   1  -7.263   6.241  -1.166
    7    H    LYS   2           H        LYS   2  -4.800   4.919   1.050
    8    HA   LYS   2           HA       LYS   2  -4.109   6.158   3.686
    9   1HB   LYS   2          1HB       LYS   2  -3.271   3.457   2.554
   10   2HB   LYS   2          2HB       LYS   2  -2.696   4.096   4.070
   11   1HG   LYS   2          1HG       LYS   2  -5.598   3.419   3.379
   12   2HG   LYS   2          2HG       LYS   2  -4.543   2.467   4.396
   13   1HD   LYS   2          1HD       LYS   2  -5.536   5.287   5.029
   14   2HD   LYS   2          2HD       LYS   2  -6.127   3.805   5.742
   15   1HE   LYS   2          1HE       LYS   2  -3.877   3.353   6.712
   16   2HE   LYS   2          2HE       LYS   2  -3.283   4.841   5.990
   17   1HZ   LYS   2          1HZ       LYS   2  -5.397   5.753   7.288
   18   2HZ   LYS   2          2HZ       LYS   2  -4.959   4.464   8.303
   19   3HZ   LYS   2          3HZ       LYS   2  -3.833   5.685   7.947
   20    H    GLY   3           H        GLY   3  -2.671   7.658   3.440
   21   1HA   GLY   3          1HA       GLY   3  -1.152   8.311   1.172
   22   2HA   GLY   3          2HA       GLY   3  -0.738   8.818   2.805
   23    H    LYS   4           H        LYS   4   1.298   8.387   1.070
   24    HA   LYS   4           HA       LYS   4   2.389   5.814   0.827
   25   1HB   LYS   4          1HB       LYS   4   3.276   7.836  -0.290
   26   2HB   LYS   4          2HB       LYS   4   3.854   8.448   1.248
   27   1HG   LYS   4          1HG       LYS   4   5.378   6.493   1.476
   28   2HG   LYS   4          2HG       LYS   4   4.768   5.834  -0.033
   29   1HD   LYS   4          1HD       LYS   4   5.592   7.848  -1.244
   30   2HD   LYS   4          2HD       LYS   4   6.180   8.524   0.265
   31   1HE   LYS   4          1HE       LYS   4   7.717   6.588   0.537
   32   2HE   LYS   4          2HE       LYS   4   7.122   5.897  -0.969
   33   1HZ   LYS   4          1HZ       LYS   4   7.796   8.143  -1.956
   34   2HZ   LYS   4          2HZ       LYS   4   8.737   8.316  -0.554
   35   3HZ   LYS   4          3HZ       LYS   4   9.007   7.007  -1.602
   36    H    GLY   5           H        GLY   5   3.344   4.432   2.111
   37   1HA   GLY   5          1HA       GLY   5   4.348   3.425   3.955
   38   2HA   GLY   5          2HA       GLY   5   4.753   5.023   4.554
   39    H    ALA   6           H        ALA   6   1.438   4.702   3.954
   40    HA   ALA   6           HA       ALA   6   0.892   4.564   6.864
   41   1HB   ALA   6          1HB       ALA   6  -0.089   6.419   5.546
   42   2HB   ALA   6          2HB       ALA   6  -0.928   5.259   4.527
   43   3HB   ALA   6          3HB       ALA   6  -1.355   5.417   6.215
   44    HA   PRO   7           HA       PRO   7  -0.384   0.450   6.967
   45   1HB   PRO   7          1HB       PRO   7  -2.716   0.586   8.573
   46   2HB   PRO   7          2HB       PRO   7  -1.057   0.412   9.108
   47   1HG   PRO   7          1HG       PRO   7  -2.784   2.786   9.172
   48   2HG   PRO   7          2HG       PRO   7  -1.306   2.468  10.069
   49   1HD   PRO   7          1HD       PRO   7  -1.582   4.215   7.864
   50   2HD   PRO   7          2HD       PRO   7  -0.052   3.665   8.569
   51    H    CYS   8           H        CYS   8  -0.873   0.078   4.834
   52    HA   CYS   8           HA       CYS   8  -3.731   0.084   4.005
   53   1HB   CYS   8          1HB       CYS   8  -2.834  -0.272   1.740
   54   2HB   CYS   8          2HB       CYS   8  -2.356   1.235   2.408
   55    H    ARG   9           H        ARG   9  -4.347  -1.580   2.530
   56    HA   ARG   9           HA       ARG   9  -3.302  -4.295   3.162
   57   1HB   ARG   9          1HB       ARG   9  -5.846  -4.874   2.631
   58   2HB   ARG   9          2HB       ARG   9  -5.445  -4.281   4.227
   59   1HG   ARG   9          1HG       ARG   9  -6.073  -1.961   3.430
   60   2HG   ARG   9          2HG       ARG   9  -6.539  -2.688   1.898
   61   1HD   ARG   9          1HD       ARG   9  -8.331  -3.941   2.972
   62   2HD   ARG   9          2HD       ARG   9  -7.716  -3.558   4.580
   63    HE   ARG   9           HE       ARG   9  -8.798  -1.498   4.436
   64   1HH1  ARG   9          1HH1      ARG   9  -8.330  -2.799   1.276
   65   2HH1  ARG   9          2HH1      ARG   9  -9.175  -1.510   0.490
   66   1HH2  ARG   9          1HH2      ARG   9  -9.866   0.141   3.490
   67   2HH2  ARG   9          2HH2      ARG   9 -10.068   0.188   1.768
   68    H    LYS  10           H        LYS  10  -2.368  -5.001   1.538
   69    HA   LYS  10           HA       LYS  10  -2.202  -3.992  -1.115
   70   1HB   LYS  10          1HB       LYS  10  -1.762  -6.948  -0.396
   71   2HB   LYS  10          2HB       LYS  10  -1.089  -6.073  -1.727
   72   1HG   LYS  10          1HG       LYS  10   0.665  -6.405  -0.124
   73   2HG   LYS  10          2HG       LYS  10   0.290  -4.707  -0.223
   74   1HD   LYS  10          1HD       LYS  10   0.747  -5.459   2.072
   75   2HD   LYS  10          2HD       LYS  10  -0.805  -4.733   1.987
   76   1HE   LYS  10          1HE       LYS  10  -0.080  -7.720   2.068
   77   2HE   LYS  10          2HE       LYS  10  -0.771  -6.799   3.387
   78   1HZ   LYS  10          1HZ       LYS  10  -2.581  -6.476   1.403
   79   2HZ   LYS  10          2HZ       LYS  10  -2.056  -8.071   1.182
   80   3HZ   LYS  10          3HZ       LYS  10  -2.688  -7.583   2.679
   81    H    THR  11           H        THR  11  -3.978  -6.334   0.486
   82    HA   THR  11           HA       THR  11  -5.404  -7.909  -1.149
   83    HB   THR  11           HB       THR  11  -6.538  -6.269   1.169
   84    HG1  THR  11           HG1      THR  11  -4.919  -8.550   0.824
   85   1HG2  THR  11          1HG2      THR  11  -7.274  -9.089   0.136
   86   2HG2  THR  11          2HG2      THR  11  -8.013  -8.276   1.507
   87   3HG2  THR  11          3HG2      THR  11  -8.293  -7.683  -0.118
   88    H    MET  12           H        MET  12  -6.075  -4.511  -0.686
   89    HA   MET  12           HA       MET  12  -7.853  -4.540  -3.093
   90   1HB   MET  12          1HB       MET  12  -8.341  -2.758  -0.712
   91   2HB   MET  12          2HB       MET  12  -9.450  -3.128  -2.011
   92   1HG   MET  12          1HG       MET  12  -9.507  -5.544  -1.161
   93   2HG   MET  12          2HG       MET  12  -8.544  -5.006   0.165
   94   1HE   MET  12          1HE       MET  12 -11.951  -5.798  -1.000
   95   2HE   MET  12          2HE       MET  12 -13.010  -4.618  -0.254
   96   3HE   MET  12          3HE       MET  12 -11.987  -4.117  -1.589
   97    H    TYR  13           H        TYR  13  -5.093  -3.411  -1.719
   98    HA   TYR  13           HA       TYR  13  -3.630  -1.640  -2.102
   99   1HB   TYR  13          1HB       TYR  13  -5.339  -1.433  -4.649
  100   2HB   TYR  13          2HB       TYR  13  -3.775  -0.648  -4.440
  101    HD1  TYR  13           HD1      TYR  13  -1.780  -2.188  -3.795
  102    HD2  TYR  13           HD2      TYR  13  -5.434  -3.683  -5.399
  103    HE1  TYR  13           HE1      TYR  13  -0.655  -4.267  -4.422
  104    HE2  TYR  13           HE2      TYR  13  -4.304  -5.761  -6.026
  105    HH   TYR  13           HH       TYR  13  -1.869  -6.439  -6.567
  106    H    ASP  14           H        ASP  14  -4.835  -1.016  -0.313
  107    HA   ASP  14           HA       ASP  14  -6.891   1.026  -0.395
  108   1HB   ASP  14          1HB       ASP  14  -6.860  -0.715   1.231
  109   2HB   ASP  14          2HB       ASP  14  -5.278  -0.345   1.785
  110    H    CYS  15           H        CYS  15  -3.934   1.405  -1.293
  111    HA   CYS  15           HA       CYS  15  -3.251   3.804   0.312
  112   1HB   CYS  15          1HB       CYS  15  -1.746   2.445  -1.886
  113   2HB   CYS  15          2HB       CYS  15  -1.145   3.782  -0.936
  114    H    CYS  16           H        CYS  16  -2.903   5.806  -0.451
  115    HA   CYS  16           HA       CYS  16  -4.589   6.767  -2.566
  116   1HB   CYS  16          1HB       CYS  16  -2.247   8.118  -1.170
  117   2HB   CYS  16          2HB       CYS  16  -3.535   8.919  -2.027
  118    H    SER  17           H        SER  17  -1.311   5.853  -2.128
  119    HA   SER  17           HA       SER  17  -0.304   6.721  -4.726
  120   1HB   SER  17          1HB       SER  17   1.178   6.574  -2.672
  121   2HB   SER  17          2HB       SER  17   0.932   4.824  -2.651
  122    HG   SER  17           HG       SER  17   1.733   4.754  -4.783
  123    H    GLY  18           H        GLY  18  -1.819   3.981  -3.298
  124   1HA   GLY  18          1HA       GLY  18  -2.822   2.126  -4.309
  125   2HA   GLY  18          2HA       GLY  18  -2.190   2.650  -5.862
  126    H    SER  19           H        SER  19   0.530   2.737  -4.302
  127    HA   SER  19           HA       SER  19   1.277  -0.044  -4.973
  128   1HB   SER  19          1HB       SER  19   3.630   0.914  -4.792
  129   2HB   SER  19          2HB       SER  19   2.630   1.835  -5.923
  130    HG   SER  19           HG       SER  19   2.207   3.316  -4.330
  131    H    CYS  20           H        CYS  20  -0.088  -0.609  -2.985
  132    HA   CYS  20           HA       CYS  20   1.069  -0.058  -0.387
  133   1HB   CYS  20          1HB       CYS  20  -1.311  -0.526  -0.606
  134   2HB   CYS  20          2HB       CYS  20  -1.015  -2.113  -1.204
  135    H    GLY  21           H        GLY  21   2.865  -0.810   0.258
  136   1HA   GLY  21          1HA       GLY  21   4.339  -3.012  -0.789
  137   2HA   GLY  21          2HA       GLY  21   4.698  -2.154   0.703
  138    H    ARG  22           H        ARG  22   5.164  -4.751   0.483
  139    HA   ARG  22           HA       ARG  22   3.084  -6.506   1.465
  140   1HB   ARG  22          1HB       ARG  22   6.110  -6.859   1.456
  141   2HB   ARG  22          2HB       ARG  22   4.975  -8.117   1.868
  142   1HG   ARG  22          1HG       ARG  22   5.709  -8.445  -0.422
  143   2HG   ARG  22          2HG       ARG  22   4.015  -8.033  -0.412
  144   1HD   ARG  22          1HD       ARG  22   5.303  -6.864  -2.229
  145   2HD   ARG  22          2HD       ARG  22   4.484  -5.738  -1.175
  146    HE   ARG  22           HE       ARG  22   6.591  -4.955  -0.489
  147   1HH1  ARG  22          1HH1      ARG  22   6.919  -8.093  -1.934
  148   2HH1  ARG  22          2HH1      ARG  22   8.649  -8.057  -1.870
  149   1HH2  ARG  22          1HH2      ARG  22   8.772  -4.896  -0.413
  150   2HH2  ARG  22          2HH2      ARG  22   9.712  -6.228  -1.004
  151    H    ARG  23           H        ARG  23   5.042  -4.209   2.941
  152    HA   ARG  23           HA       ARG  23   5.195  -5.437   5.584
  153   1HB   ARG  23          1HB       ARG  23   6.914  -3.831   4.746
  154   2HB   ARG  23          2HB       ARG  23   5.695  -2.592   4.579
  155   1HG   ARG  23          1HG       ARG  23   7.082  -2.259   6.598
  156   2HG   ARG  23          2HG       ARG  23   5.405  -2.472   7.029
  157   1HD   ARG  23          1HD       ARG  23   5.865  -4.858   7.600
  158   2HD   ARG  23          2HD       ARG  23   7.549  -4.636   7.125
  159    HE   ARG  23           HE       ARG  23   7.129  -2.635   8.981
  160   1HH1  ARG  23          1HH1      ARG  23   6.637  -6.071   8.955
  161   2HH1  ARG  23          2HH1      ARG  23   6.890  -6.228  10.660
  162   1HH2  ARG  23          1HH2      ARG  23   7.456  -2.818  11.135
  163   2HH2  ARG  23          2HH2      ARG  23   7.362  -4.362  11.913
  164    H    GLY  24           H        GLY  24   2.706  -4.333   3.819
  165   1HA   GLY  24          1HA       GLY  24   0.473  -3.957   4.440
  166   2HA   GLY  24          2HA       GLY  24   0.964  -3.970   6.141
  167    H    LYS  25           H        LYS  25   2.944  -2.070   4.194
  168    HA   LYS  25           HA       LYS  25   1.526   0.451   5.001
  169   1HB   LYS  25          1HB       LYS  25   4.510   0.025   4.578
  170   2HB   LYS  25          2HB       LYS  25   3.759   1.513   5.080
  171   1HG   LYS  25          1HG       LYS  25   3.665  -1.044   6.727
  172   2HG   LYS  25          2HG       LYS  25   4.758   0.296   7.022
  173   1HD   LYS  25          1HD       LYS  25   2.809   1.811   7.380
  174   2HD   LYS  25          2HD       LYS  25   1.710   0.486   7.076
  175   1HE   LYS  25          1HE       LYS  25   2.631  -0.734   9.035
  176   2HE   LYS  25          2HE       LYS  25   3.734   0.605   9.339
  177   1HZ   LYS  25          1HZ       LYS  25   0.850   1.110   9.115
  178   2HZ   LYS  25          2HZ       LYS  25   1.496   0.499  10.565
  179   3HZ   LYS  25          3HZ       LYS  25   2.039   1.988   9.952
  180    H    CYS  26           H        CYS  26   1.917   2.210   3.582
  181    HA   CYS  26           HA       CYS  26   1.607   1.387   0.794
  182   1HB   CYS  26          1HB       CYS  26   1.439   4.054   2.129
  183   2HB   CYS  26          2HB       CYS  26   1.065   3.773   0.445
  184   1HN   NH2  27          1HT       NH2  27   2.580   2.743  -0.992
  185   2HN   NH2  27          2HT       NH2  27   4.239   3.068  -0.916
  Start of MODEL    8
    1   1H    CYS   1          1H        CYS   1  -8.110   7.670   1.429
    2   2H    CYS   1          2H        CYS   1  -9.026   6.577   0.507
    3   3H    CYS   1          3H        CYS   1  -8.738   6.269   2.154
    4    HA   CYS   1           HA       CYS   1  -7.328   4.878   0.837
    5   1HB   CYS   1          1HB       CYS   1  -5.669   5.902  -0.657
    6   2HB   CYS   1          2HB       CYS   1  -7.287   6.246  -1.177
    7    H    LYS   2           H        LYS   2  -4.789   4.962   0.974
    8    HA   LYS   2           HA       LYS   2  -4.047   6.143   3.621
    9   1HB   LYS   2          1HB       LYS   2  -3.225   3.466   2.416
   10   2HB   LYS   2          2HB       LYS   2  -2.644   4.073   3.945
   11   1HG   LYS   2          1HG       LYS   2  -5.545   3.433   3.300
   12   2HG   LYS   2          2HG       LYS   2  -4.448   2.438   4.237
   13   1HD   LYS   2          1HD       LYS   2  -4.262   4.238   5.943
   14   2HD   LYS   2          2HD       LYS   2  -5.344   5.255   5.006
   15   1HE   LYS   2          1HE       LYS   2  -6.603   4.119   6.792
   16   2HE   LYS   2          2HE       LYS   2  -7.148   3.557   5.219
   17   1HZ   LYS   2          1HZ       LYS   2  -5.010   1.956   6.068
   18   2HZ   LYS   2          2HZ       LYS   2  -6.150   2.051   7.323
   19   3HZ   LYS   2          3HZ       LYS   2  -6.624   1.514   5.781
   20    H    GLY   3           H        GLY   3  -2.631   7.645   3.412
   21   1HA   GLY   3          1HA       GLY   3  -1.077   8.284   1.127
   22   2HA   GLY   3          2HA       GLY   3  -0.738   8.868   2.757
   23    H    LYS   4           H        LYS   4   1.310   8.237   0.939
   24    HA   LYS   4           HA       LYS   4   2.398   5.666   1.011
   25   1HB   LYS   4          1HB       LYS   4   3.299   7.524  -0.334
   26   2HB   LYS   4          2HB       LYS   4   3.917   8.294   1.118
   27   1HG   LYS   4          1HG       LYS   4   5.363   6.305   1.562
   28   2HG   LYS   4          2HG       LYS   4   4.711   5.517   0.135
   29   1HD   LYS   4          1HD       LYS   4   5.638   7.345  -1.288
   30   2HD   LYS   4          2HD       LYS   4   6.269   8.139   0.144
   31   1HE   LYS   4          1HE       LYS   4   8.038   6.798  -0.975
   32   2HE   LYS   4          2HE       LYS   4   7.695   6.144   0.620
   33   1HZ   LYS   4          1HZ       LYS   4   6.384   5.127  -1.827
   34   2HZ   LYS   4          2HZ       LYS   4   7.859   4.510  -1.249
   35   3HZ   LYS   4          3HZ       LYS   4   6.459   4.400  -0.294
   36    H    GLY   5           H        GLY   5   3.134   4.404   2.512
   37   1HA   GLY   5          1HA       GLY   5   4.377   3.686   4.380
   38   2HA   GLY   5          2HA       GLY   5   4.530   5.341   4.925
   39    H    ALA   6           H        ALA   6   1.341   4.714   4.161
   40    HA   ALA   6           HA       ALA   6   0.623   4.467   7.024
   41   1HB   ALA   6          1HB       ALA   6  -1.061   5.122   4.582
   42   2HB   ALA   6          2HB       ALA   6  -1.650   5.159   6.232
   43   3HB   ALA   6          3HB       ALA   6  -0.407   6.285   5.717
   44    HA   PRO   7           HA       PRO   7  -0.385   0.236   6.840
   45   1HB   PRO   7          1HB       PRO   7  -2.668   0.136   8.493
   46   2HB   PRO   7          2HB       PRO   7  -0.992   0.064   8.996
   47   1HG   PRO   7          1HG       PRO   7  -2.894   2.298   9.194
   48   2HG   PRO   7          2HG       PRO   7  -1.395   2.038  10.074
   49   1HD   PRO   7          1HD       PRO   7  -1.794   3.876   7.948
   50   2HD   PRO   7          2HD       PRO   7  -0.234   3.407   8.647
   51    H    CYS   8           H        CYS   8  -0.892   0.080   4.676
   52    HA   CYS   8           HA       CYS   8  -3.725   0.148   3.847
   53   1HB   CYS   8          1HB       CYS   8  -2.763  -0.268   1.596
   54   2HB   CYS   8          2HB       CYS   8  -2.334   1.235   2.303
   55    H    ARG   9           H        ARG   9  -4.681  -1.328   2.738
   56    HA   ARG   9           HA       ARG   9  -4.118  -4.172   3.315
   57   1HB   ARG   9          1HB       ARG   9  -6.527  -2.839   1.979
   58   2HB   ARG   9          2HB       ARG   9  -6.465  -4.485   2.556
   59   1HG   ARG   9          1HG       ARG   9  -6.367  -1.992   4.299
   60   2HG   ARG   9          2HG       ARG   9  -7.779  -2.983   4.028
   61   1HD   ARG   9          1HD       ARG   9  -6.852  -3.621   6.167
   62   2HD   ARG   9          2HD       ARG   9  -6.543  -4.927   5.035
   63    HE   ARG   9           HE       ARG   9  -4.242  -4.536   5.238
   64   1HH1  ARG   9          1HH1      ARG   9  -6.050  -1.860   6.505
   65   2HH1  ARG   9          2HH1      ARG   9  -4.655  -1.096   7.189
   66   1HH2  ARG   9          1HH2      ARG   9  -2.463  -3.578   6.102
   67   2HH2  ARG   9          2HH2      ARG   9  -2.598  -2.076   6.956
   68    H    LYS  10           H        LYS  10  -2.663  -4.850   1.837
   69    HA   LYS  10           HA       LYS  10  -2.242  -3.864  -0.818
   70   1HB   LYS  10          1HB       LYS  10  -1.826  -6.807  -0.019
   71   2HB   LYS  10          2HB       LYS  10  -1.072  -5.954  -1.328
   72   1HG   LYS  10          1HG       LYS  10   0.557  -6.229   0.410
   73   2HG   LYS  10          2HG       LYS  10   0.184  -4.537   0.219
   74   1HD   LYS  10          1HD       LYS  10   0.466  -5.180   2.550
   75   2HD   LYS  10          2HD       LYS  10  -1.101  -4.512   2.329
   76   1HE   LYS  10          1HE       LYS  10  -0.329  -7.475   2.571
   77   2HE   LYS  10          2HE       LYS  10  -1.110  -6.521   3.814
   78   1HZ   LYS  10          1HZ       LYS  10  -2.747  -6.347   1.604
   79   2HZ   LYS  10          2HZ       LYS  10  -2.259  -7.967   1.689
   80   3HZ   LYS  10          3HZ       LYS  10  -3.009  -7.235   3.023
   81    H    THR  11           H        THR  11  -4.118  -6.209   0.645
   82    HA   THR  11           HA       THR  11  -5.391  -7.834  -1.071
   83    HB   THR  11           HB       THR  11  -6.704  -6.160   1.128
   84    HG1  THR  11           HG1      THR  11  -4.856  -7.268   1.740
   85   1HG2  THR  11          1HG2      THR  11  -7.360  -9.005   0.089
   86   2HG2  THR  11          2HG2      THR  11  -8.202  -8.172   1.385
   87   3HG2  THR  11          3HG2      THR  11  -8.358  -7.607  -0.268
   88    H    MET  12           H        MET  12  -6.435  -4.564  -0.451
   89    HA   MET  12           HA       MET  12  -7.949  -4.500  -3.025
   90   1HB   MET  12          1HB       MET  12  -9.508  -2.909  -1.829
   91   2HB   MET  12          2HB       MET  12  -9.505  -4.532  -1.173
   92   1HG   MET  12          1HG       MET  12  -8.026  -3.872   0.628
   93   2HG   MET  12          2HG       MET  12  -7.827  -2.264   0.012
   94   1HE   MET  12          1HE       MET  12  -9.921  -0.765  -0.436
   95   2HE   MET  12          2HE       MET  12 -10.939  -0.419   0.938
   96   3HE   MET  12          3HE       MET  12  -9.192  -0.242   1.097
   97    H    TYR  13           H        TYR  13  -5.192  -3.432  -1.863
   98    HA   TYR  13           HA       TYR  13  -3.805  -1.578  -2.199
   99   1HB   TYR  13          1HB       TYR  13  -5.628  -1.331  -4.657
  100   2HB   TYR  13          2HB       TYR  13  -4.034  -0.594  -4.509
  101    HD1  TYR  13           HD1      TYR  13  -2.026  -2.149  -4.105
  102    HD2  TYR  13           HD2      TYR  13  -5.846  -3.616  -5.289
  103    HE1  TYR  13           HE1      TYR  13  -1.001  -4.255  -4.811
  104    HE2  TYR  13           HE2      TYR  13  -4.818  -5.722  -5.994
  105    HH   TYR  13           HH       TYR  13  -2.509  -6.470  -6.761
  106    H    ASP  14           H        ASP  14  -4.962  -0.958  -0.337
  107    HA   ASP  14           HA       ASP  14  -6.992   1.110  -0.369
  108   1HB   ASP  14          1HB       ASP  14  -6.922  -0.650   1.291
  109   2HB   ASP  14          2HB       ASP  14  -5.309  -0.252   1.725
  110    H    CYS  15           H        CYS  15  -3.979   1.406  -1.302
  111    HA   CYS  15           HA       CYS  15  -3.247   3.832   0.235
  112   1HB   CYS  15          1HB       CYS  15  -1.807   2.415  -1.967
  113   2HB   CYS  15          2HB       CYS  15  -1.172   3.769  -1.069
  114    H    CYS  16           H        CYS  16  -2.948   5.815  -0.554
  115    HA   CYS  16           HA       CYS  16  -4.646   6.734  -2.672
  116   1HB   CYS  16          1HB       CYS  16  -2.277   8.122  -1.355
  117   2HB   CYS  16          2HB       CYS  16  -3.593   8.894  -2.194
  118    H    SER  17           H        SER  17  -1.380   5.795  -2.281
  119    HA   SER  17           HA       SER  17  -0.425   6.594  -4.931
  120   1HB   SER  17          1HB       SER  17   1.079   6.634  -2.901
  121   2HB   SER  17          2HB       SER  17   0.899   4.882  -2.760
  122    HG   SER  17           HG       SER  17   1.792   4.621  -4.760
  123    H    GLY  18           H        GLY  18  -1.835   3.888  -3.353
  124   1HA   GLY  18          1HA       GLY  18  -2.721   1.912  -4.243
  125   2HA   GLY  18          2HA       GLY  18  -2.147   2.399  -5.832
  126    H    SER  19           H        SER  19   0.536   2.742  -4.157
  127    HA   SER  19           HA       SER  19   1.578   0.067  -4.841
  128   1HB   SER  19          1HB       SER  19   3.811   1.226  -4.487
  129   2HB   SER  19          2HB       SER  19   2.793   2.107  -5.636
  130    HG   SER  19           HG       SER  19   2.034   3.341  -3.835
  131    H    CYS  20           H        CYS  20   0.147  -0.673  -2.945
  132    HA   CYS  20           HA       CYS  20   1.232  -0.168  -0.277
  133   1HB   CYS  20          1HB       CYS  20  -1.162  -0.560  -0.613
  134   2HB   CYS  20          2HB       CYS  20  -0.868  -2.159  -1.193
  135    H    GLY  21           H        GLY  21   3.096  -0.948   0.204
  136   1HA   GLY  21          1HA       GLY  21   4.421  -3.198  -0.887
  137   2HA   GLY  21          2HA       GLY  21   4.880  -2.365   0.581
  138    H    ARG  22           H        ARG  22   5.403  -4.826   0.483
  139    HA   ARG  22           HA       ARG  22   3.454  -6.750   1.387
  140   1HB   ARG  22          1HB       ARG  22   6.494  -6.810   1.557
  141   2HB   ARG  22          2HB       ARG  22   5.446  -8.191   1.822
  142   1HG   ARG  22          1HG       ARG  22   4.592  -8.008  -0.503
  143   2HG   ARG  22          2HG       ARG  22   5.626  -6.616  -0.782
  144   1HD   ARG  22          1HD       ARG  22   7.639  -7.989  -0.342
  145   2HD   ARG  22          2HD       ARG  22   6.641  -9.402  -0.027
  146    HE   ARG  22           HE       ARG  22   7.270  -8.257  -2.640
  147   1HH1  ARG  22          1HH1      ARG  22   5.041 -10.188  -0.813
  148   2HH1  ARG  22          2HH1      ARG  22   4.454 -11.028  -2.208
  149   1HH2  ARG  22          1HH2      ARG  22   6.535  -9.312  -4.417
  150   2HH2  ARG  22          2HH2      ARG  22   5.309 -10.526  -4.271
  151    H    ARG  23           H        ARG  23   5.402  -4.428   2.939
  152    HA   ARG  23           HA       ARG  23   5.289  -5.603   5.613
  153   1HB   ARG  23          1HB       ARG  23   6.382  -3.559   6.355
  154   2HB   ARG  23          2HB       ARG  23   7.138  -4.057   4.864
  155   1HG   ARG  23          1HG       ARG  23   5.091  -1.820   5.158
  156   2HG   ARG  23          2HG       ARG  23   6.806  -1.613   4.914
  157   1HD   ARG  23          1HD       ARG  23   6.562  -2.742   2.643
  158   2HD   ARG  23          2HD       ARG  23   4.821  -2.765   2.929
  159    HE   ARG  23           HE       ARG  23   4.699  -0.494   2.530
  160   1HH1  ARG  23          1HH1      ARG  23   8.001  -1.452   2.970
  161   2HH1  ARG  23          2HH1      ARG  23   8.626   0.081   2.465
  162   1HH2  ARG  23          1HH2      ARG  23   5.458   1.435   1.902
  163   2HH2  ARG  23          2HH2      ARG  23   7.160   1.752   1.851
  164    H    GLY  24           H        GLY  24   2.937  -4.439   3.731
  165   1HA   GLY  24          1HA       GLY  24   0.714  -3.941   4.265
  166   2HA   GLY  24          2HA       GLY  24   1.151  -3.903   5.965
  167    H    LYS  25           H        LYS  25   3.171  -1.944   4.042
  168    HA   LYS  25           HA       LYS  25   1.546   0.473   4.811
  169   1HB   LYS  25          1HB       LYS  25   4.582   0.337   4.539
  170   2HB   LYS  25          2HB       LYS  25   3.648   1.719   5.016
  171   1HG   LYS  25          1HG       LYS  25   3.733  -0.858   6.630
  172   2HG   LYS  25          2HG       LYS  25   4.661   0.586   6.991
  173   1HD   LYS  25          1HD       LYS  25   2.544   1.883   7.247
  174   2HD   LYS  25          2HD       LYS  25   1.621   0.448   6.876
  175   1HE   LYS  25          1HE       LYS  25   2.544  -0.683   8.875
  176   2HE   LYS  25          2HE       LYS  25   3.489   0.752   9.252
  177   1HZ   LYS  25          1HZ       LYS  25   0.691   1.256   8.812
  178   2HZ   LYS  25          2HZ       LYS  25   1.018   0.264  10.152
  179   3HZ   LYS  25          3HZ       LYS  25   1.722   1.808  10.044
  180    H    CYS  26           H        CYS  26   1.869   2.319   3.490
  181    HA   CYS  26           HA       CYS  26   1.698   1.595   0.655
  182   1HB   CYS  26          1HB       CYS  26   1.314   4.184   2.097
  183   2HB   CYS  26          2HB       CYS  26   0.974   3.937   0.402
  184   1HN   NH2  27          1HT       NH2  27   2.694   2.913  -1.071
  185   2HN   NH2  27          2HT       NH2  27   4.298   3.428  -0.898
  Start of MODEL    9
    1   1H    CYS   1          1H        CYS   1  -8.220   7.626   1.623
    2   2H    CYS   1          2H        CYS   1  -9.105   6.371   0.900
    3   3H    CYS   1          3H        CYS   1  -8.617   6.240   2.521
    4    HA   CYS   1           HA       CYS   1  -7.203   4.878   1.187
    5   1HB   CYS   1          1HB       CYS   1  -5.831   5.860  -0.574
    6   2HB   CYS   1          2HB       CYS   1  -7.513   6.103  -0.936
    7    H    LYS   2           H        LYS   2  -5.060   4.619   1.742
    8    HA   LYS   2           HA       LYS   2  -4.099   6.423   3.889
    9   1HB   LYS   2          1HB       LYS   2  -3.262   3.619   3.058
   10   2HB   LYS   2          2HB       LYS   2  -2.489   4.504   4.344
   11   1HG   LYS   2          1HG       LYS   2  -4.046   2.977   5.321
   12   2HG   LYS   2          2HG       LYS   2  -4.641   4.597   5.584
   13   1HD   LYS   2          1HD       LYS   2  -6.301   4.308   3.751
   14   2HD   LYS   2          2HD       LYS   2  -5.653   2.706   3.424
   15   1HE   LYS   2          1HE       LYS   2  -6.923   3.622   6.043
   16   2HE   LYS   2          2HE       LYS   2  -7.707   2.619   4.833
   17   1HZ   LYS   2          1HZ       LYS   2  -5.564   1.179   5.193
   18   2HZ   LYS   2          2HZ       LYS   2  -5.578   1.947   6.708
   19   3HZ   LYS   2          3HZ       LYS   2  -6.918   1.031   6.206
   20    H    GLY   3           H        GLY   3  -2.500   7.786   3.572
   21   1HA   GLY   3          1HA       GLY   3  -1.236   8.295   1.080
   22   2HA   GLY   3          2HA       GLY   3  -0.668   8.906   2.632
   23    H    LYS   4           H        LYS   4   1.362   8.371   0.976
   24    HA   LYS   4           HA       LYS   4   2.236   5.695   0.775
   25   1HB   LYS   4          1HB       LYS   4   4.397   6.684   0.242
   26   2HB   LYS   4          2HB       LYS   4   3.116   7.542  -0.551
   27   1HG   LYS   4          1HG       LYS   4   4.587   9.237   0.138
   28   2HG   LYS   4          2HG       LYS   4   3.307   9.294   1.329
   29   1HD   LYS   4          1HD       LYS   4   4.761   7.995   2.935
   30   2HD   LYS   4          2HD       LYS   4   5.983   7.897   1.697
   31   1HE   LYS   4          1HE       LYS   4   6.176  10.374   1.706
   32   2HE   LYS   4          2HE       LYS   4   4.889  10.479   2.901
   33   1HZ   LYS   4          1HZ       LYS   4   7.278   8.847   3.423
   34   2HZ   LYS   4          2HZ       LYS   4   7.307  10.526   3.671
   35   3HZ   LYS   4          3HZ       LYS   4   6.201   9.561   4.525
   36    H    GLY   5           H        GLY   5   3.582   4.453   1.989
   37   1HA   GLY   5          1HA       GLY   5   4.544   3.498   3.868
   38   2HA   GLY   5          2HA       GLY   5   4.922   5.123   4.408
   39    H    ALA   6           H        ALA   6   1.631   4.789   3.907
   40    HA   ALA   6           HA       ALA   6   1.142   4.664   6.835
   41   1HB   ALA   6          1HB       ALA   6   0.168   6.533   5.575
   42   2HB   ALA   6          2HB       ALA   6  -0.700   5.413   4.547
   43   3HB   ALA   6          3HB       ALA   6  -1.119   5.546   6.237
   44    HA   PRO   7           HA       PRO   7  -0.211   0.591   6.969
   45   1HB   PRO   7          1HB       PRO   7  -2.335   0.680   8.796
   46   2HB   PRO   7          2HB       PRO   7  -0.625   0.639   9.183
   47   1HG   PRO   7          1HG       PRO   7  -2.495   2.931   9.255
   48   2HG   PRO   7          2HG       PRO   7  -1.001   2.684  10.151
   49   1HD   PRO   7          1HD       PRO   7  -1.318   4.380   7.922
   50   2HD   PRO   7          2HD       PRO   7   0.233   3.827   8.579
   51    H    CYS   8           H        CYS   8  -0.905   0.334   4.873
   52    HA   CYS   8           HA       CYS   8  -3.785   0.540   4.197
   53   1HB   CYS   8          1HB       CYS   8  -2.892  -0.021   1.888
   54   2HB   CYS   8          2HB       CYS   8  -2.400   1.467   2.524
   55    H    ARG   9           H        ARG   9  -3.921  -1.316   2.244
   56    HA   ARG   9           HA       ARG   9  -3.546  -3.971   3.480
   57   1HB   ARG   9          1HB       ARG   9  -5.826  -2.951   3.891
   58   2HB   ARG   9          2HB       ARG   9  -6.067  -2.920   2.154
   59   1HG   ARG   9          1HG       ARG   9  -5.681  -5.425   2.150
   60   2HG   ARG   9          2HG       ARG   9  -5.682  -5.365   3.898
   61   1HD   ARG   9          1HD       ARG   9  -8.012  -4.523   2.105
   62   2HD   ARG   9          2HD       ARG   9  -7.960  -5.917   3.166
   63    HE   ARG   9           HE       ARG   9  -8.171  -4.495   5.069
   64   1HH1  ARG   9          1HH1      ARG   9  -8.007  -2.707   2.085
   65   2HH1  ARG   9          2HH1      ARG   9  -8.551  -1.239   2.817
   66   1HH2  ARG   9          1HH2      ARG   9  -8.859  -2.629   5.991
   67   2HH2  ARG   9          2HH2      ARG   9  -9.037  -1.191   5.041
   68    H    LYS  10           H        LYS  10  -2.137  -4.703   2.151
   69    HA   LYS  10           HA       LYS  10  -1.389  -4.184  -0.429
   70   1HB   LYS  10          1HB       LYS  10  -0.111  -5.686   0.926
   71   2HB   LYS  10          2HB       LYS  10  -1.476  -6.743   1.190
   72   1HG   LYS  10          1HG       LYS  10   0.111  -7.751  -0.353
   73   2HG   LYS  10          2HG       LYS  10  -1.427  -7.489  -1.135
   74   1HD   LYS  10          1HD       LYS  10   0.252  -6.933  -2.677
   75   2HD   LYS  10          2HD       LYS  10  -0.452  -5.414  -2.187
   76   1HE   LYS  10          1HE       LYS  10   1.353  -4.972  -0.614
   77   2HE   LYS  10          2HE       LYS  10   2.098  -6.529  -0.963
   78   1HZ   LYS  10          1HZ       LYS  10   1.618  -4.490  -3.042
   79   2HZ   LYS  10          2HZ       LYS  10   3.043  -4.546  -2.124
   80   3HZ   LYS  10          3HZ       LYS  10   2.624  -5.855  -3.122
   81    H    THR  11           H        THR  11  -3.640  -6.512   0.584
   82    HA   THR  11           HA       THR  11  -4.701  -7.955  -1.314
   83    HB   THR  11           HB       THR  11  -6.434  -6.168   0.461
   84    HG1  THR  11           HG1      THR  11  -5.151  -8.700   0.730
   85   1HG2  THR  11          1HG2      THR  11  -6.931  -9.003  -0.659
   86   2HG2  THR  11          2HG2      THR  11  -8.027  -8.102   0.376
   87   3HG2  THR  11          3HG2      THR  11  -7.748  -7.574  -1.273
   88    H    MET  12           H        MET  12  -5.614  -4.543  -1.135
   89    HA   MET  12           HA       MET  12  -6.294  -4.631  -4.039
   90   1HB   MET  12          1HB       MET  12  -8.424  -3.436  -3.595
   91   2HB   MET  12          2HB       MET  12  -8.367  -4.974  -2.758
   92   1HG   MET  12          1HG       MET  12  -7.678  -3.855  -0.667
   93   2HG   MET  12          2HG       MET  12  -7.727  -2.312  -1.469
   94   1HE   MET  12          1HE       MET  12  -9.433  -4.931   0.511
   95   2HE   MET  12          2HE       MET  12 -11.150  -4.730   0.234
   96   3HE   MET  12          3HE       MET  12 -10.159  -5.455  -1.024
   97    H    TYR  13           H        TYR  13  -4.219  -3.410  -2.165
   98    HA   TYR  13           HA       TYR  13  -2.987  -1.450  -1.992
   99   1HB   TYR  13          1HB       TYR  13  -4.316  -0.917  -4.694
  100   2HB   TYR  13          2HB       TYR  13  -2.863  -0.117  -4.112
  101    HD1  TYR  13           HD1      TYR  13  -1.200  -2.260  -3.043
  102    HD2  TYR  13           HD2      TYR  13  -3.755  -2.337  -6.451
  103    HE1  TYR  13           HE1      TYR  13   0.138  -4.055  -4.007
  104    HE2  TYR  13           HE2      TYR  13  -2.407  -4.139  -7.410
  105    HH   TYR  13           HH       TYR  13  -0.248  -5.948  -5.669
  106    H    ASP  14           H        ASP  14  -4.446  -1.085  -0.288
  107    HA   ASP  14           HA       ASP  14  -6.731   0.707  -0.570
  108   1HB   ASP  14          1HB       ASP  14  -6.579  -1.100   1.097
  109   2HB   ASP  14          2HB       ASP  14  -5.215  -0.368   1.831
  110    H    CYS  15           H        CYS  15  -3.864   1.455  -1.238
  111    HA   CYS  15           HA       CYS  15  -3.460   3.877   0.423
  112   1HB   CYS  15          1HB       CYS  15  -1.742   2.689  -1.738
  113   2HB   CYS  15          2HB       CYS  15  -1.298   4.018  -0.697
  114    H    CYS  16           H        CYS  16  -3.015   5.902  -0.488
  115    HA   CYS  16           HA       CYS  16  -4.811   6.692  -2.603
  116   1HB   CYS  16          1HB       CYS  16  -2.507   8.195  -1.306
  117   2HB   CYS  16          2HB       CYS  16  -3.811   8.907  -2.212
  118    H    SER  17           H        SER  17  -1.486   5.918  -2.166
  119    HA   SER  17           HA       SER  17  -0.468   6.751  -4.739
  120   1HB   SER  17          1HB       SER  17   1.009   6.409  -2.716
  121   2HB   SER  17          2HB       SER  17   0.640   4.680  -2.759
  122    HG   SER  17           HG       SER  17   1.492   4.572  -4.823
  123    H    GLY  18           H        GLY  18  -2.160   4.050  -3.467
  124   1HA   GLY  18          1HA       GLY  18  -3.161   2.216  -4.486
  125   2HA   GLY  18          2HA       GLY  18  -2.727   2.931  -6.038
  126    H    SER  19           H        SER  19  -0.352   2.273  -3.647
  127    HA   SER  19           HA       SER  19   0.517  -0.236  -4.973
  128   1HB   SER  19          1HB       SER  19   2.878   0.721  -5.153
  129   2HB   SER  19          2HB       SER  19   1.734   1.648  -6.134
  130    HG   SER  19           HG       SER  19   1.478   3.056  -4.353
  131    H    CYS  20           H        CYS  20  -0.693  -0.460  -2.743
  132    HA   CYS  20           HA       CYS  20   0.762   0.046  -0.347
  133   1HB   CYS  20          1HB       CYS  20  -1.627  -0.505  -0.359
  134   2HB   CYS  20          2HB       CYS  20  -1.299  -2.111  -0.907
  135    H    GLY  21           H        GLY  21   1.916  -1.261   0.905
  136   1HA   GLY  21          1HA       GLY  21   3.687  -3.213  -0.428
  137   2HA   GLY  21          2HA       GLY  21   4.017  -2.396   1.084
  138    H    ARG  22           H        ARG  22   4.248  -5.090   0.352
  139    HA   ARG  22           HA       ARG  22   2.254  -6.795   1.493
  140   1HB   ARG  22          1HB       ARG  22   4.063  -8.550   1.340
  141   2HB   ARG  22          2HB       ARG  22   3.776  -7.687  -0.143
  142   1HG   ARG  22          1HG       ARG  22   6.156  -7.998   0.114
  143   2HG   ARG  22          2HG       ARG  22   5.806  -6.294   0.261
  144   1HD   ARG  22          1HD       ARG  22   6.078  -6.408   2.709
  145   2HD   ARG  22          2HD       ARG  22   6.322  -8.147   2.640
  146    HE   ARG  22           HE       ARG  22   8.217  -6.035   1.910
  147   1HH1  ARG  22          1HH1      ARG  22   7.349  -9.378   1.545
  148   2HH1  ARG  22          2HH1      ARG  22   8.957  -9.858   1.122
  149   1HH2  ARG  22          1HH2      ARG  22  10.248  -6.628   1.376
  150   2HH2  ARG  22          2HH2      ARG  22  10.623  -8.281   1.023
  151    H    ARG  23           H        ARG  23   4.428  -4.782   2.955
  152    HA   ARG  23           HA       ARG  23   4.871  -6.293   5.437
  153   1HB   ARG  23          1HB       ARG  23   6.407  -4.485   4.346
  154   2HB   ARG  23          2HB       ARG  23   5.213  -3.306   4.798
  155   1HG   ARG  23          1HG       ARG  23   6.916  -4.950   6.698
  156   2HG   ARG  23          2HG       ARG  23   7.135  -3.264   6.315
  157   1HD   ARG  23          1HD       ARG  23   6.126  -3.330   8.479
  158   2HD   ARG  23          2HD       ARG  23   4.846  -2.836   7.376
  159    HE   ARG  23           HE       ARG  23   4.738  -5.650   7.569
  160   1HH1  ARG  23          1HH1      ARG  23   4.336  -2.839   9.558
  161   2HH1  ARG  23          2HH1      ARG  23   3.193  -3.604  10.609
  162   1HH2  ARG  23          1HH2      ARG  23   3.292  -6.638   8.886
  163   2HH2  ARG  23          2HH2      ARG  23   2.591  -5.790  10.225
  164    H    GLY  24           H        GLY  24   3.065  -3.619   4.085
  165   1HA   GLY  24          1HA       GLY  24   0.552  -3.732   4.559
  166   2HA   GLY  24          2HA       GLY  24   1.023  -3.705   6.261
  167    H    LYS  25           H        LYS  25   3.095  -1.955   4.203
  168    HA   LYS  25           HA       LYS  25   1.790   0.639   5.022
  169   1HB   LYS  25          1HB       LYS  25   4.719   0.237   4.387
  170   2HB   LYS  25          2HB       LYS  25   3.981   1.659   5.053
  171   1HG   LYS  25          1HG       LYS  25   4.055  -0.979   6.549
  172   2HG   LYS  25          2HG       LYS  25   5.140   0.366   6.844
  173   1HD   LYS  25          1HD       LYS  25   3.231   1.817   7.447
  174   2HD   LYS  25          2HD       LYS  25   2.095   0.533   7.096
  175   1HE   LYS  25          1HE       LYS  25   3.134  -0.859   8.886
  176   2HE   LYS  25          2HE       LYS  25   4.256   0.450   9.240
  177   1HZ   LYS  25          1HZ       LYS  25   1.313   0.736   9.336
  178   2HZ   LYS  25          2HZ       LYS  25   2.274   0.369  10.688
  179   3HZ   LYS  25          3HZ       LYS  25   2.477   1.848   9.877
  180    H    CYS  26           H        CYS  26   1.920   2.277   3.557
  181    HA   CYS  26           HA       CYS  26   1.471   1.437   0.835
  182   1HB   CYS  26          1HB       CYS  26   1.550   4.121   2.116
  183   2HB   CYS  26          2HB       CYS  26   1.080   3.879   0.446
  184   1HN   NH2  27          1HT       NH2  27   2.304   2.613  -1.097
  185   2HN   NH2  27          2HT       NH2  27   3.977   2.842  -1.203
  Start of MODEL   10
    1   1H    CYS   1          1H        CYS   1  -8.369   7.574   0.798
    2   2H    CYS   1          2H        CYS   1  -9.103   6.276  -0.017
    3   3H    CYS   1          3H        CYS   1  -8.911   6.221   1.670
    4    HA   CYS   1           HA       CYS   1  -7.265   4.826   0.639
    5   1HB   CYS   1          1HB       CYS   1  -5.605   5.787  -0.843
    6   2HB   CYS   1          2HB       CYS   1  -7.186   6.031  -1.519
    7    H    LYS   2           H        LYS   2  -4.958   4.886   1.204
    8    HA   LYS   2           HA       LYS   2  -4.488   6.675   3.556
    9   1HB   LYS   2          1HB       LYS   2  -3.504   3.827   3.103
   10   2HB   LYS   2          2HB       LYS   2  -3.198   4.764   4.535
   11   1HG   LYS   2          1HG       LYS   2  -5.908   3.779   3.531
   12   2HG   LYS   2          2HG       LYS   2  -5.039   3.175   4.916
   13   1HD   LYS   2          1HD       LYS   2  -6.263   5.959   4.707
   14   2HD   LYS   2          2HD       LYS   2  -6.955   4.603   5.555
   15   1HE   LYS   2          1HE       LYS   2  -5.879   6.079   7.168
   16   2HE   LYS   2          2HE       LYS   2  -4.981   4.573   7.095
   17   1HZ   LYS   2          1HZ       LYS   2  -4.125   6.722   5.328
   18   2HZ   LYS   2          2HZ       LYS   2  -3.822   6.902   6.988
   19   3HZ   LYS   2          3HZ       LYS   2  -3.218   5.551   6.159
   20    H    GLY   3           H        GLY   3  -2.863   7.943   3.391
   21   1HA   GLY   3          1HA       GLY   3  -1.229   8.379   1.161
   22   2HA   GLY   3          2HA       GLY   3  -0.828   8.932   2.777
   23    H    LYS   4           H        LYS   4   1.197   8.357   1.128
   24    HA   LYS   4           HA       LYS   4   2.189   5.712   1.048
   25   1HB   LYS   4          1HB       LYS   4   3.116   7.588  -0.272
   26   2HB   LYS   4          2HB       LYS   4   3.735   8.318   1.198
   27   1HG   LYS   4          1HG       LYS   4   5.198   6.315   1.577
   28   2HG   LYS   4          2HG       LYS   4   4.531   5.555   0.148
   29   1HD   LYS   4          1HD       LYS   4   6.719   6.537  -0.365
   30   2HD   LYS   4          2HD       LYS   4   5.472   7.378  -1.262
   31   1HE   LYS   4          1HE       LYS   4   5.504   9.227   0.416
   32   2HE   LYS   4          2HE       LYS   4   6.730   8.366   1.339
   33   1HZ   LYS   4          1HZ       LYS   4   7.193   8.928  -1.500
   34   2HZ   LYS   4          2HZ       LYS   4   7.387  10.174  -0.362
   35   3HZ   LYS   4          3HZ       LYS   4   8.311   8.755  -0.232
   36    H    GLY   5           H        GLY   5   3.253   4.461   2.405
   37   1HA   GLY   5          1HA       GLY   5   4.410   3.696   4.289
   38   2HA   GLY   5          2HA       GLY   5   4.562   5.341   4.861
   39    H    ALA   6           H        ALA   6   1.368   4.927   4.209
   40    HA   ALA   6           HA       ALA   6   0.745   4.534   7.068
   41   1HB   ALA   6          1HB       ALA   6  -0.369   6.366   5.813
   42   2HB   ALA   6          2HB       ALA   6  -1.073   5.187   4.716
   43   3HB   ALA   6          3HB       ALA   6  -1.535   5.198   6.409
   44    HA   PRO   7           HA       PRO   7   0.004   0.328   6.678
   45   1HB   PRO   7          1HB       PRO   7  -2.131  -0.098   8.469
   46   2HB   PRO   7          2HB       PRO   7  -0.428   0.002   8.882
   47   1HG   PRO   7          1HG       PRO   7  -2.557   2.013   9.263
   48   2HG   PRO   7          2HG       PRO   7  -1.016   1.858  10.095
   49   1HD   PRO   7          1HD       PRO   7  -1.634   3.764   8.087
   50   2HD   PRO   7          2HD       PRO   7  -0.010   3.380   8.688
   51    H    CYS   8           H        CYS   8  -0.693  -0.252   4.719
   52    HA   CYS   8           HA       CYS   8  -3.553   0.088   3.959
   53   1HB   CYS   8          1HB       CYS   8  -2.699  -0.526   1.692
   54   2HB   CYS   8          2HB       CYS   8  -2.117   0.945   2.339
   55    H    ARG   9           H        ARG   9  -4.106  -1.607   2.201
   56    HA   ARG   9           HA       ARG   9  -3.685  -4.387   3.130
   57   1HB   ARG   9          1HB       ARG   9  -5.741  -3.305   4.104
   58   2HB   ARG   9          2HB       ARG   9  -6.336  -3.074   2.469
   59   1HG   ARG   9          1HG       ARG   9  -6.141  -5.571   2.146
   60   2HG   ARG   9          2HG       ARG   9  -5.770  -5.713   3.849
   61   1HD   ARG   9          1HD       ARG   9  -8.371  -4.568   2.710
   62   2HD   ARG   9          2HD       ARG   9  -8.183  -6.075   3.584
   63    HE   ARG   9           HE       ARG   9  -7.911  -4.878   5.620
   64   1HH1  ARG   9          1HH1      ARG   9  -8.171  -2.744   2.877
   65   2HH1  ARG   9          2HH1      ARG   9  -8.417  -1.345   3.861
   66   1HH2  ARG   9          1HH2      ARG   9  -8.224  -3.106   6.860
   67   2HH2  ARG   9          2HH2      ARG   9  -8.452  -1.549   6.133
   68    H    LYS  10           H        LYS  10  -2.827  -5.306   1.420
   69    HA   LYS  10           HA       LYS  10  -2.736  -4.386  -1.245
   70   1HB   LYS  10          1HB       LYS  10  -2.591  -7.287  -0.310
   71   2HB   LYS  10          2HB       LYS  10  -2.142  -6.738  -1.903
   72   1HG   LYS  10          1HG       LYS  10  -0.149  -7.092  -0.596
   73   2HG   LYS  10          2HG       LYS  10  -0.315  -5.385  -0.940
   74   1HD   LYS  10          1HD       LYS  10  -1.086  -4.933   1.338
   75   2HD   LYS  10          2HD       LYS  10  -1.146  -6.655   1.707
   76   1HE   LYS  10          1HE       LYS  10   1.294  -6.776   1.331
   77   2HE   LYS  10          2HE       LYS  10   1.320  -5.071   0.898
   78   1HZ   LYS  10          1HZ       LYS  10   0.502  -6.187   3.522
   79   2HZ   LYS  10          2HZ       LYS  10   1.987  -5.434   3.184
   80   3HZ   LYS  10          3HZ       LYS  10   0.547  -4.538   3.114
   81    H    THR  11           H        THR  11  -5.018  -6.346   0.401
   82    HA   THR  11           HA       THR  11  -6.562  -7.724  -1.318
   83    HB   THR  11           HB       THR  11  -7.648  -5.779   0.789
   84    HG1  THR  11           HG1      THR  11  -7.133  -7.420   2.125
   85   1HG2  THR  11          1HG2      THR  11  -8.768  -8.464  -0.244
   86   2HG2  THR  11          2HG2      THR  11  -9.498  -7.449   0.990
   87   3HG2  THR  11          3HG2      THR  11  -9.459  -6.908  -0.678
   88    H    MET  12           H        MET  12  -6.641  -4.253  -0.992
   89    HA   MET  12           HA       MET  12  -7.916  -4.024  -3.664
   90   1HB   MET  12          1HB       MET  12  -9.591  -2.407  -2.774
   91   2HB   MET  12          2HB       MET  12  -9.754  -3.968  -1.996
   92   1HG   MET  12          1HG       MET  12  -8.415  -3.170  -0.066
   93   2HG   MET  12          2HG       MET  12  -8.248  -1.612  -0.819
   94   1HE   MET  12          1HE       MET  12 -10.642  -4.242   0.418
   95   2HE   MET  12          2HE       MET  12 -10.186  -3.455   1.944
   96   3HE   MET  12          3HE       MET  12 -11.837  -3.353   1.328
   97    H    TYR  13           H        TYR  13  -5.390  -3.359  -1.906
   98    HA   TYR  13           HA       TYR  13  -3.738  -1.718  -1.840
   99   1HB   TYR  13          1HB       TYR  13  -5.062  -1.024  -4.532
  100   2HB   TYR  13          2HB       TYR  13  -3.469  -0.461  -4.032
  101    HD1  TYR  13           HD1      TYR  13  -1.687  -2.210  -3.485
  102    HD2  TYR  13           HD2      TYR  13  -5.344  -3.239  -5.415
  103    HE1  TYR  13           HE1      TYR  13  -0.708  -4.330  -4.214
  104    HE2  TYR  13           HE2      TYR  13  -4.359  -5.359  -6.143
  105    HH   TYR  13           HH       TYR  13  -1.443  -6.018  -6.458
  106    H    ASP  14           H        ASP  14  -4.837  -1.031  -0.109
  107    HA   ASP  14           HA       ASP  14  -6.804   1.104  -0.115
  108   1HB   ASP  14          1HB       ASP  14  -6.839  -0.683   1.538
  109   2HB   ASP  14          2HB       ASP  14  -5.230  -0.350   2.055
  110    H    CYS  15           H        CYS  15  -4.059   1.421  -1.222
  111    HA   CYS  15           HA       CYS  15  -3.098   3.786   0.316
  112   1HB   CYS  15          1HB       CYS  15  -1.719   2.211  -1.855
  113   2HB   CYS  15          2HB       CYS  15  -1.029   3.560  -0.989
  114    H    CYS  16           H        CYS  16  -2.814   5.752  -0.593
  115    HA   CYS  16           HA       CYS  16  -4.501   6.485  -2.802
  116   1HB   CYS  16          1HB       CYS  16  -2.232   8.003  -1.467
  117   2HB   CYS  16          2HB       CYS  16  -3.479   8.703  -2.459
  118    H    SER  17           H        SER  17  -1.211   5.645  -2.309
  119    HA   SER  17           HA       SER  17  -0.209   6.400  -4.940
  120   1HB   SER  17          1HB       SER  17   1.288   6.334  -2.912
  121   2HB   SER  17          2HB       SER  17   1.021   4.590  -2.790
  122    HG   SER  17           HG       SER  17   1.910   4.318  -4.798
  123    H    GLY  18           H        GLY  18  -1.739   3.700  -3.455
  124   1HA   GLY  18          1HA       GLY  18  -2.721   1.816  -4.450
  125   2HA   GLY  18          2HA       GLY  18  -2.032   2.291  -5.996
  126    H    SER  19           H        SER  19   0.621   2.479  -4.380
  127    HA   SER  19           HA       SER  19   1.457  -0.308  -4.891
  128   1HB   SER  19          1HB       SER  19   3.777   0.711  -4.667
  129   2HB   SER  19          2HB       SER  19   2.796   1.581  -5.856
  130    HG   SER  19           HG       SER  19   3.016   3.244  -4.624
  131    H    CYS  20           H        CYS  20   0.014  -0.794  -2.941
  132    HA   CYS  20           HA       CYS  20   0.875  -0.101  -0.313
  133   1HB   CYS  20          1HB       CYS  20  -1.352  -0.882  -0.661
  134   2HB   CYS  20          2HB       CYS  20  -0.842  -2.404  -1.294
  135    H    GLY  21           H        GLY  21   2.793  -0.448   0.348
  136   1HA   GLY  21          1HA       GLY  21   4.737  -2.316  -0.278
  137   2HA   GLY  21          2HA       GLY  21   4.625  -1.535   1.295
  138    H    ARG  22           H        ARG  22   5.268  -4.231   0.324
  139    HA   ARG  22           HA       ARG  22   3.326  -6.157   1.299
  140   1HB   ARG  22          1HB       ARG  22   5.309  -6.313  -0.492
  141   2HB   ARG  22          2HB       ARG  22   6.259  -6.773   0.897
  142   1HG   ARG  22          1HG       ARG  22   3.789  -8.205  -0.157
  143   2HG   ARG  22          2HG       ARG  22   5.435  -8.749  -0.328
  144   1HD   ARG  22          1HD       ARG  22   3.867  -8.612   2.278
  145   2HD   ARG  22          2HD       ARG  22   4.302 -10.046   1.394
  146    HE   ARG  22           HE       ARG  22   6.105  -8.478   3.075
  147   1HH1  ARG  22          1HH1      ARG  22   5.821 -10.768   0.484
  148   2HH1  ARG  22          2HH1      ARG  22   7.411 -11.407   0.726
  149   1HH2  ARG  22          1HH2      ARG  22   8.119  -9.271   3.396
  150   2HH2  ARG  22          2HH2      ARG  22   8.732 -10.547   2.396
  151    H    ARG  23           H        ARG  23   5.268  -4.016   2.823
  152    HA   ARG  23           HA       ARG  23   6.177  -5.591   5.115
  153   1HB   ARG  23          1HB       ARG  23   7.312  -3.523   4.163
  154   2HB   ARG  23          2HB       ARG  23   5.907  -2.594   4.612
  155   1HG   ARG  23          1HG       ARG  23   7.749  -3.970   6.589
  156   2HG   ARG  23          2HG       ARG  23   7.843  -2.281   6.150
  157   1HD   ARG  23          1HD       ARG  23   5.455  -2.004   7.053
  158   2HD   ARG  23          2HD       ARG  23   5.575  -3.656   7.641
  159    HE   ARG  23           HE       ARG  23   7.048  -2.994   9.303
  160   1HH1  ARG  23          1HH1      ARG  23   6.620  -0.474   6.957
  161   2HH1  ARG  23          2HH1      ARG  23   7.451   0.708   7.911
  162   1HH2  ARG  23          1HH2      ARG  23   8.107  -1.510  10.522
  163   2HH2  ARG  23          2HH2      ARG  23   8.306   0.114   9.955
  164    H    GLY  24           H        GLY  24   3.614  -3.477   4.116
  165   1HA   GLY  24          1HA       GLY  24   1.325  -4.231   5.034
  166   2HA   GLY  24          2HA       GLY  24   2.046  -3.928   6.615
  167    H    LYS  25           H        LYS  25   3.396  -1.812   4.461
  168    HA   LYS  25           HA       LYS  25   1.375   0.314   5.107
  169   1HB   LYS  25          1HB       LYS  25   3.321   1.881   5.212
  170   2HB   LYS  25          2HB       LYS  25   3.305   0.738   6.503
  171   1HG   LYS  25          1HG       LYS  25   5.586   1.032   5.702
  172   2HG   LYS  25          2HG       LYS  25   5.072  -0.586   5.273
  173   1HD   LYS  25          1HD       LYS  25   4.694   0.045   2.979
  174   2HD   LYS  25          2HD       LYS  25   4.839   1.746   3.374
  175   1HE   LYS  25          1HE       LYS  25   6.893   0.837   2.256
  176   2HE   LYS  25          2HE       LYS  25   7.279   1.305   3.904
  177   1HZ   LYS  25          1HZ       LYS  25   6.563  -1.445   3.081
  178   2HZ   LYS  25          2HZ       LYS  25   8.155  -0.877   3.251
  179   3HZ   LYS  25          3HZ       LYS  25   7.128  -0.946   4.603
  180    H    CYS  26           H        CYS  26   2.018   2.353   3.667
  181    HA   CYS  26           HA       CYS  26   1.651   1.374   0.907
  182   1HB   CYS  26          1HB       CYS  26   1.320   4.070   2.156
  183   2HB   CYS  26          2HB       CYS  26   0.996   3.718   0.473
  184   1HN   NH2  27          1HT       NH2  27   2.606   2.449  -0.967
  185   2HN   NH2  27          2HT       NH2  27   4.210   2.995  -0.904
  Start of MODEL   11
    1   1H    CYS   1          1H        CYS   1  -8.075   7.828   1.376
    2   2H    CYS   1          2H        CYS   1  -9.047   6.610   0.700
    3   3H    CYS   1          3H        CYS   1  -8.528   6.485   2.313
    4    HA   CYS   1           HA       CYS   1  -7.227   5.018   0.972
    5   1HB   CYS   1          1HB       CYS   1  -5.824   5.903  -0.822
    6   2HB   CYS   1          2HB       CYS   1  -7.500   6.194  -1.171
    7    H    LYS   2           H        LYS   2  -5.261   4.573   1.713
    8    HA   LYS   2           HA       LYS   2  -4.124   6.236   3.821
    9   1HB   LYS   2          1HB       LYS   2  -3.500   3.509   2.698
   10   2HB   LYS   2          2HB       LYS   2  -2.478   4.231   3.905
   11   1HG   LYS   2          1HG       LYS   2  -4.122   2.620   4.833
   12   2HG   LYS   2          2HG       LYS   2  -4.228   4.203   5.553
   13   1HD   LYS   2          1HD       LYS   2  -6.102   3.388   3.312
   14   2HD   LYS   2          2HD       LYS   2  -6.392   2.947   4.978
   15   1HE   LYS   2          1HE       LYS   2  -6.591   5.200   5.690
   16   2HE   LYS   2          2HE       LYS   2  -6.088   5.881   4.177
   17   1HZ   LYS   2          1HZ       LYS   2  -8.114   4.307   3.414
   18   2HZ   LYS   2          2HZ       LYS   2  -8.622   4.778   4.966
   19   3HZ   LYS   2          3HZ       LYS   2  -8.262   5.956   3.795
   20    H    GLY   3           H        GLY   3  -2.564   7.515   3.721
   21   1HA   GLY   3          1HA       GLY   3  -1.239   8.273   1.263
   22   2HA   GLY   3          2HA       GLY   3  -0.810   8.871   2.861
   23    H    LYS   4           H        LYS   4   1.284   8.453   1.250
   24    HA   LYS   4           HA       LYS   4   2.393   5.903   0.989
   25   1HB   LYS   4          1HB       LYS   4   3.736   8.578   1.431
   26   2HB   LYS   4          2HB       LYS   4   4.566   7.142   0.868
   27   1HG   LYS   4          1HG       LYS   4   3.022   7.010  -1.094
   28   2HG   LYS   4          2HG       LYS   4   2.207   8.461  -0.558
   29   1HD   LYS   4          1HD       LYS   4   5.143   8.285  -1.357
   30   2HD   LYS   4          2HD       LYS   4   3.862   8.938  -2.355
   31   1HE   LYS   4          1HE       LYS   4   4.761  10.092   0.330
   32   2HE   LYS   4          2HE       LYS   4   5.091  10.766  -1.255
   33   1HZ   LYS   4          1HZ       LYS   4   2.633  10.858  -1.577
   34   2HZ   LYS   4          2HZ       LYS   4   2.471  10.501   0.075
   35   3HZ   LYS   4          3HZ       LYS   4   3.263  11.922  -0.413
   36    H    GLY   5           H        GLY   5   3.378   4.521   2.231
   37   1HA   GLY   5          1HA       GLY   5   4.403   3.490   4.042
   38   2HA   GLY   5          2HA       GLY   5   4.776   5.074   4.689
   39    H    ALA   6           H        ALA   6   1.491   4.895   4.140
   40    HA   ALA   6           HA       ALA   6   0.951   4.627   7.020
   41   1HB   ALA   6          1HB       ALA   6  -0.123   6.435   5.733
   42   2HB   ALA   6          2HB       ALA   6  -0.899   5.257   4.693
   43   3HB   ALA   6          3HB       ALA   6  -1.354   5.364   6.378
   44    HA   PRO   7           HA       PRO   7  -0.107   0.455   7.055
   45   1HB   PRO   7          1HB       PRO   7  -2.256   0.378   8.866
   46   2HB   PRO   7          2HB       PRO   7  -0.549   0.409   9.269
   47   1HG   PRO   7          1HG       PRO   7  -2.531   2.594   9.420
   48   2HG   PRO   7          2HG       PRO   7  -1.012   2.408  10.284
   49   1HD   PRO   7          1HD       PRO   7  -1.467   4.139   8.096
   50   2HD   PRO   7          2HD       PRO   7   0.120   3.684   8.739
   51    H    CYS   8           H        CYS   8  -0.764   0.190   4.947
   52    HA   CYS   8           HA       CYS   8  -3.664   0.196   4.340
   53   1HB   CYS   8          1HB       CYS   8  -2.811  -0.162   1.986
   54   2HB   CYS   8          2HB       CYS   8  -2.537   1.384   2.664
   55    H    ARG   9           H        ARG   9  -4.389  -1.250   2.848
   56    HA   ARG   9           HA       ARG   9  -3.637  -4.105   3.260
   57   1HB   ARG   9          1HB       ARG   9  -5.776  -3.350   4.317
   58   2HB   ARG   9          2HB       ARG   9  -6.342  -2.737   2.773
   59   1HG   ARG   9          1HG       ARG   9  -6.265  -5.021   1.841
   60   2HG   ARG   9          2HG       ARG   9  -5.735  -5.663   3.387
   61   1HD   ARG   9          1HD       ARG   9  -8.403  -4.263   2.818
   62   2HD   ARG   9          2HD       ARG   9  -8.170  -5.969   3.145
   63    HE   ARG   9           HE       ARG   9  -7.777  -5.495   5.439
   64   1HH1  ARG   9          1HH1      ARG   9  -8.209  -2.592   3.568
   65   2HH1  ARG   9          2HH1      ARG   9  -8.421  -1.602   4.970
   66   1HH2  ARG   9          1HH2      ARG   9  -8.041  -4.247   7.205
   67   2HH2  ARG   9          2HH2      ARG   9  -8.325  -2.545   7.051
   68    H    LYS  10           H        LYS  10  -2.287  -4.078   1.657
   69    HA   LYS  10           HA       LYS  10  -2.473  -3.072  -0.959
   70   1HB   LYS  10          1HB       LYS  10  -0.667  -4.704  -1.423
   71   2HB   LYS  10          2HB       LYS  10  -0.404  -3.953   0.144
   72   1HG   LYS  10          1HG       LYS  10  -1.630  -5.906   1.231
   73   2HG   LYS  10          2HG       LYS  10  -1.689  -6.688  -0.335
   74   1HD   LYS  10          1HD       LYS  10   0.760  -5.970   1.244
   75   2HD   LYS  10          2HD       LYS  10   0.113  -7.572   0.952
   76   1HE   LYS  10          1HE       LYS  10   1.214  -5.715  -1.189
   77   2HE   LYS  10          2HE       LYS  10   2.005  -7.151  -0.559
   78   1HZ   LYS  10          1HZ       LYS  10   0.056  -8.440  -1.327
   79   2HZ   LYS  10          2HZ       LYS  10  -0.519  -7.038  -2.092
   80   3HZ   LYS  10          3HZ       LYS  10   0.954  -7.726  -2.582
   81    H    THR  11           H        THR  11  -3.863  -5.801   0.441
   82    HA   THR  11           HA       THR  11  -4.438  -7.608  -1.558
   83    HB   THR  11           HB       THR  11  -6.303  -6.570   0.636
   84    HG1  THR  11           HG1      THR  11  -4.196  -8.471   0.486
   85   1HG2  THR  11          1HG2      THR  11  -6.017  -9.391  -0.605
   86   2HG2  THR  11          2HG2      THR  11  -7.162  -8.938   0.647
   87   3HG2  THR  11          3HG2      THR  11  -7.356  -8.325  -0.982
   88    H    MET  12           H        MET  12  -6.083  -4.725  -0.720
   89    HA   MET  12           HA       MET  12  -7.646  -4.633  -3.274
   90   1HB   MET  12          1HB       MET  12  -8.185  -3.394  -0.551
   91   2HB   MET  12          2HB       MET  12  -9.149  -3.054  -1.972
   92   1HG   MET  12          1HG       MET  12  -8.766  -5.811  -0.785
   93   2HG   MET  12          2HG       MET  12 -10.113  -4.764  -0.464
   94   1HE   MET  12          1HE       MET  12  -8.533  -7.346  -2.358
   95   2HE   MET  12          2HE       MET  12  -9.715  -7.884  -3.518
   96   3HE   MET  12          3HE       MET  12  -8.546  -6.638  -3.982
   97    H    TYR  13           H        TYR  13  -4.937  -3.390  -1.963
   98    HA   TYR  13           HA       TYR  13  -3.618  -1.502  -2.331
   99   1HB   TYR  13          1HB       TYR  13  -5.437  -1.328  -4.801
  100   2HB   TYR  13          2HB       TYR  13  -3.885  -0.508  -4.639
  101    HD1  TYR  13           HD1      TYR  13  -1.815  -1.962  -4.188
  102    HD2  TYR  13           HD2      TYR  13  -5.524  -3.620  -5.467
  103    HE1  TYR  13           HE1      TYR  13  -0.661  -4.009  -4.878
  104    HE2  TYR  13           HE2      TYR  13  -4.368  -5.666  -6.155
  105    HH   TYR  13           HH       TYR  13  -1.702  -6.111  -6.903
  106    H    ASP  14           H        ASP  14  -4.803  -1.047  -0.494
  107    HA   ASP  14           HA       ASP  14  -6.964   0.872  -0.388
  108   1HB   ASP  14          1HB       ASP  14  -6.843  -0.912   1.171
  109   2HB   ASP  14          2HB       ASP  14  -5.208  -0.620   1.565
  110    H    CYS  15           H        CYS  15  -4.015   1.452  -1.334
  111    HA   CYS  15           HA       CYS  15  -3.556   3.919   0.294
  112   1HB   CYS  15          1HB       CYS  15  -1.786   2.582  -1.714
  113   2HB   CYS  15          2HB       CYS  15  -1.354   3.973  -0.752
  114    H    CYS  16           H        CYS  16  -3.093   5.875  -0.627
  115    HA   CYS  16           HA       CYS  16  -4.750   6.670  -2.816
  116   1HB   CYS  16          1HB       CYS  16  -2.403   8.091  -1.505
  117   2HB   CYS  16          2HB       CYS  16  -3.631   8.860  -2.461
  118    H    SER  17           H        SER  17  -1.508   5.693  -2.339
  119    HA   SER  17           HA       SER  17  -0.457   6.392  -4.967
  120   1HB   SER  17          1HB       SER  17   0.982   6.309  -2.887
  121   2HB   SER  17          2HB       SER  17   0.692   4.570  -2.786
  122    HG   SER  17           HG       SER  17   1.545   4.343  -4.861
  123    H    GLY  18           H        GLY  18  -2.005   3.733  -3.408
  124   1HA   GLY  18          1HA       GLY  18  -2.924   1.767  -4.238
  125   2HA   GLY  18          2HA       GLY  18  -2.566   2.342  -5.861
  126    H    SER  19           H        SER  19   0.182   2.345  -3.962
  127    HA   SER  19           HA       SER  19   1.079  -0.326  -4.984
  128   1HB   SER  19          1HB       SER  19   3.372   0.753  -5.149
  129   2HB   SER  19          2HB       SER  19   2.192   1.615  -6.148
  130    HG   SER  19           HG       SER  19   3.153   2.271  -3.577
  131    H    CYS  20           H        CYS  20  -0.137  -0.604  -2.780
  132    HA   CYS  20           HA       CYS  20   1.401  -0.039  -0.391
  133   1HB   CYS  20          1HB       CYS  20  -1.030  -0.233  -0.360
  134   2HB   CYS  20          2HB       CYS  20  -0.943  -1.869  -0.881
  135    H    GLY  21           H        GLY  21   3.011  -1.053   0.357
  136   1HA   GLY  21          1HA       GLY  21   4.226  -3.363  -0.798
  137   2HA   GLY  21          2HA       GLY  21   4.728  -2.569   0.683
  138    H    ARG  22           H        ARG  22   5.020  -5.096   0.489
  139    HA   ARG  22           HA       ARG  22   2.902  -6.803   1.476
  140   1HB   ARG  22          1HB       ARG  22   4.839  -7.617   0.120
  141   2HB   ARG  22          2HB       ARG  22   5.926  -7.204   1.430
  142   1HG   ARG  22          1HG       ARG  22   4.788  -8.858   2.910
  143   2HG   ARG  22          2HG       ARG  22   3.662  -9.240   1.620
  144   1HD   ARG  22          1HD       ARG  22   5.612 -10.006   0.208
  145   2HD   ARG  22          2HD       ARG  22   6.692  -9.628   1.543
  146    HE   ARG  22           HE       ARG  22   5.989 -11.576   2.635
  147   1HH1  ARG  22          1HH1      ARG  22   3.798 -10.768   0.071
  148   2HH1  ARG  22          2HH1      ARG  22   2.917 -12.252   0.206
  149   1HH2  ARG  22          1HH2      ARG  22   4.885 -13.459   2.823
  150   2HH2  ARG  22          2HH2      ARG  22   3.538 -13.797   1.785
  151    H    ARG  23           H        ARG  23   5.052  -4.609   2.868
  152    HA   ARG  23           HA       ARG  23   5.114  -5.740   5.559
  153   1HB   ARG  23          1HB       ARG  23   6.242  -3.571   6.117
  154   2HB   ARG  23          2HB       ARG  23   6.981  -4.350   4.731
  155   1HG   ARG  23          1HG       ARG  23   5.672  -2.873   3.193
  156   2HG   ARG  23          2HG       ARG  23   4.914  -2.109   4.575
  157   1HD   ARG  23          1HD       ARG  23   7.129  -1.307   5.355
  158   2HD   ARG  23          2HD       ARG  23   7.905  -2.086   3.972
  159    HE   ARG  23           HE       ARG  23   5.961  -0.506   2.814
  160   1HH1  ARG  23          1HH1      ARG  23   8.548   0.053   5.055
  161   2HH1  ARG  23          2HH1      ARG  23   8.782   1.691   4.545
  162   1HH2  ARG  23          1HH2      ARG  23   6.239   1.557   2.156
  163   2HH2  ARG  23          2HH2      ARG  23   7.457   2.556   2.876
  164    H    GLY  24           H        GLY  24   2.685  -4.538   3.819
  165   1HA   GLY  24          1HA       GLY  24   0.528  -3.902   4.406
  166   2HA   GLY  24          2HA       GLY  24   1.000  -3.965   6.100
  167    H    LYS  25           H        LYS  25   2.970  -2.066   4.032
  168    HA   LYS  25           HA       LYS  25   1.648   0.451   5.038
  169   1HB   LYS  25          1HB       LYS  25   4.584   0.082   4.369
  170   2HB   LYS  25          2HB       LYS  25   3.857   1.508   5.043
  171   1HG   LYS  25          1HG       LYS  25   3.973  -1.161   6.495
  172   2HG   LYS  25          2HG       LYS  25   5.048   0.189   6.781
  173   1HD   LYS  25          1HD       LYS  25   3.140   1.605   7.469
  174   2HD   LYS  25          2HD       LYS  25   2.015   0.310   7.125
  175   1HE   LYS  25          1HE       LYS  25   2.514   0.398   9.544
  176   2HE   LYS  25          2HE       LYS  25   3.133  -1.100   8.864
  177   1HZ   LYS  25          1HZ       LYS  25   4.808   1.317   9.136
  178   2HZ   LYS  25          2HZ       LYS  25   4.656   0.169  10.378
  179   3HZ   LYS  25          3HZ       LYS  25   5.305  -0.285   8.874
  180    H    CYS  26           H        CYS  26   1.934   2.279   3.620
  181    HA   CYS  26           HA       CYS  26   1.435   1.500   0.849
  182   1HB   CYS  26          1HB       CYS  26   1.477   4.159   2.206
  183   2HB   CYS  26          2HB       CYS  26   1.021   3.929   0.539
  184   1HN   NH2  27          1HT       NH2  27   2.451   2.614  -1.013
  185   2HN   NH2  27          2HT       NH2  27   4.112   2.944  -0.975
  Start of MODEL   12
    1   1H    CYS   1          1H        CYS   1  -8.271   7.647   1.365
    2   2H    CYS   1          2H        CYS   1  -9.149   6.436   0.557
    3   3H    CYS   1          3H        CYS   1  -8.750   6.247   2.199
    4    HA   CYS   1           HA       CYS   1  -7.315   4.889   0.854
    5   1HB   CYS   1          1HB       CYS   1  -5.799   5.937  -0.736
    6   2HB   CYS   1          2HB       CYS   1  -7.445   6.258  -1.187
    7    H    LYS   2           H        LYS   2  -4.927   4.836   1.165
    8    HA   LYS   2           HA       LYS   2  -4.153   6.367   3.621
    9   1HB   LYS   2          1HB       LYS   2  -3.274   3.592   2.718
   10   2HB   LYS   2          2HB       LYS   2  -2.772   4.372   4.199
   11   1HG   LYS   2          1HG       LYS   2  -5.625   3.573   3.512
   12   2HG   LYS   2          2HG       LYS   2  -4.556   2.745   4.624
   13   1HD   LYS   2          1HD       LYS   2  -4.499   4.762   6.083
   14   2HD   LYS   2          2HD       LYS   2  -5.570   5.603   4.972
   15   1HE   LYS   2          1HE       LYS   2  -7.316   3.873   5.319
   16   2HE   LYS   2          2HE       LYS   2  -6.261   3.040   6.455
   17   1HZ   LYS   2          1HZ       LYS   2  -7.048   5.867   6.783
   18   2HZ   LYS   2          2HZ       LYS   2  -7.945   4.579   7.432
   19   3HZ   LYS   2          3HZ       LYS   2  -6.343   4.836   7.934
   20    H    GLY   3           H        GLY   3  -2.662   7.807   3.328
   21   1HA   GLY   3          1HA       GLY   3  -1.147   8.269   0.982
   22   2HA   GLY   3          2HA       GLY   3  -0.758   8.939   2.562
   23    H    LYS   4           H        LYS   4   1.323   8.323   0.907
   24    HA   LYS   4           HA       LYS   4   2.410   5.786   0.868
   25   1HB   LYS   4          1HB       LYS   4   4.584   6.930   0.667
   26   2HB   LYS   4          2HB       LYS   4   3.348   7.657  -0.328
   27   1HG   LYS   4          1HG       LYS   4   3.031   9.458   1.378
   28   2HG   LYS   4          2HG       LYS   4   4.292   8.739   2.368
   29   1HD   LYS   4          1HD       LYS   4   5.919   9.022   0.512
   30   2HD   LYS   4          2HD       LYS   4   4.665   9.750  -0.475
   31   1HE   LYS   4          1HE       LYS   4   4.403  11.581   1.197
   32   2HE   LYS   4          2HE       LYS   4   5.655  10.852   2.195
   33   1HZ   LYS   4          1HZ       LYS   4   6.048  11.757  -0.595
   34   2HZ   LYS   4          2HZ       LYS   4   6.457  12.657   0.787
   35   3HZ   LYS   4          3HZ       LYS   4   7.241  11.185   0.469
   36    H    GLY   5           H        GLY   5   3.370   4.448   2.169
   37   1HA   GLY   5          1HA       GLY   5   4.378   3.474   4.017
   38   2HA   GLY   5          2HA       GLY   5   4.724   5.076   4.636
   39    H    ALA   6           H        ALA   6   1.479   4.943   4.051
   40    HA   ALA   6           HA       ALA   6   0.846   4.719   6.906
   41   1HB   ALA   6          1HB       ALA   6  -0.235   6.451   5.507
   42   2HB   ALA   6          2HB       ALA   6  -0.946   5.198   4.504
   43   3HB   ALA   6          3HB       ALA   6  -1.454   5.378   6.167
   44    HA   PRO   7           HA       PRO   7  -0.203   0.535   7.028
   45   1HB   PRO   7          1HB       PRO   7  -2.385   0.483   8.780
   46   2HB   PRO   7          2HB       PRO   7  -0.693   0.584   9.235
   47   1HG   PRO   7          1HG       PRO   7  -2.742   2.723   9.204
   48   2HG   PRO   7          2HG       PRO   7  -1.276   2.602  10.166
   49   1HD   PRO   7          1HD       PRO   7  -1.623   4.245   7.898
   50   2HD   PRO   7          2HD       PRO   7  -0.064   3.827   8.634
   51    H    CYS   8           H        CYS   8  -0.794   0.232   4.926
   52    HA   CYS   8           HA       CYS   8  -3.663   0.227   4.189
   53   1HB   CYS   8          1HB       CYS   8  -2.696  -0.195   1.891
   54   2HB   CYS   8          2HB       CYS   8  -2.424   1.353   2.570
   55    H    ARG   9           H        ARG   9  -4.004  -1.440   2.427
   56    HA   ARG   9           HA       ARG   9  -3.116  -4.167   3.168
   57   1HB   ARG   9          1HB       ARG   9  -5.317  -3.474   4.219
   58   2HB   ARG   9          2HB       ARG   9  -5.958  -3.244   2.602
   59   1HG   ARG   9          1HG       ARG   9  -5.376  -5.660   2.131
   60   2HG   ARG   9          2HG       ARG   9  -4.963  -5.841   3.820
   61   1HD   ARG   9          1HD       ARG   9  -7.726  -5.051   2.771
   62   2HD   ARG   9          2HD       ARG   9  -7.289  -6.571   3.530
   63    HE   ARG   9           HE       ARG   9  -7.172  -5.502   5.648
   64   1HH1  ARG   9          1HH1      ARG   9  -7.810  -3.237   3.081
   65   2HH1  ARG   9          2HH1      ARG   9  -8.256  -1.971   4.169
   66   1HH2  ARG   9          1HH2      ARG   9  -7.735  -3.904   7.022
   67   2HH2  ARG   9          2HH2      ARG   9  -8.216  -2.350   6.424
   68    H    LYS  10           H        LYS  10  -1.927  -4.423   1.366
   69    HA   LYS  10           HA       LYS  10  -2.357  -3.351  -1.214
   70   1HB   LYS  10          1HB       LYS  10  -0.697  -4.963  -1.999
   71   2HB   LYS  10          2HB       LYS  10  -0.226  -4.388  -0.419
   72   1HG   LYS  10          1HG       LYS  10  -1.548  -7.071  -0.952
   73   2HG   LYS  10          2HG       LYS  10   0.158  -6.813  -0.672
   74   1HD   LYS  10          1HD       LYS  10  -0.379  -5.934   1.632
   75   2HD   LYS  10          2HD       LYS  10  -2.072  -6.322   1.348
   76   1HE   LYS  10          1HE       LYS  10  -1.539  -8.690   1.006
   77   2HE   LYS  10          2HE       LYS  10   0.169  -8.357   1.274
   78   1HZ   LYS  10          1HZ       LYS  10  -1.983  -7.819   3.236
   79   2HZ   LYS  10          2HZ       LYS  10  -0.969  -9.182   3.247
   80   3HZ   LYS  10          3HZ       LYS  10  -0.312  -7.633   3.481
   81    H    THR  11           H        THR  11  -3.922  -5.884   0.358
   82    HA   THR  11           HA       THR  11  -4.798  -7.700  -1.518
   83    HB   THR  11           HB       THR  11  -6.489  -6.333   0.640
   84    HG1  THR  11           HG1      THR  11  -4.694  -8.545   0.547
   85   1HG2  THR  11          1HG2      THR  11  -6.642  -9.186  -0.540
   86   2HG2  THR  11          2HG2      THR  11  -7.693  -8.542   0.712
   87   3HG2  THR  11          3HG2      THR  11  -7.802  -7.925  -0.926
   88    H    MET  12           H        MET  12  -6.112  -4.568  -0.823
   89    HA   MET  12           HA       MET  12  -7.530  -4.477  -3.455
   90   1HB   MET  12          1HB       MET  12  -9.260  -3.077  -2.299
   91   2HB   MET  12          2HB       MET  12  -9.147  -4.672  -1.583
   92   1HG   MET  12          1HG       MET  12  -7.685  -3.784   0.203
   93   2HG   MET  12          2HG       MET  12  -7.736  -2.196  -0.506
   94   1HE   MET  12          1HE       MET  12 -10.023  -0.861  -0.820
   95   2HE   MET  12          2HE       MET  12 -10.766  -0.546   0.735
   96   3HE   MET  12          3HE       MET  12  -9.026  -0.385   0.574
   97    H    TYR  13           H        TYR  13  -4.928  -3.401  -1.940
   98    HA   TYR  13           HA       TYR  13  -3.561  -1.516  -2.035
   99   1HB   TYR  13          1HB       TYR  13  -5.171  -1.129  -4.623
  100   2HB   TYR  13          2HB       TYR  13  -3.661  -0.302  -4.257
  101    HD1  TYR  13           HD1      TYR  13  -1.595  -1.760  -3.752
  102    HD2  TYR  13           HD2      TYR  13  -5.131  -3.339  -5.525
  103    HE1  TYR  13           HE1      TYR  13  -0.336  -3.704  -4.532
  104    HE2  TYR  13           HE2      TYR  13  -3.867  -5.285  -6.305
  105    HH   TYR  13           HH       TYR  13  -0.959  -5.519  -6.781
  106    H    ASP  14           H        ASP  14  -4.762  -1.028  -0.226
  107    HA   ASP  14           HA       ASP  14  -6.925   0.913  -0.220
  108   1HB   ASP  14          1HB       ASP  14  -6.840  -0.867   1.393
  109   2HB   ASP  14          2HB       ASP  14  -5.254  -0.491   1.911
  110    H    CYS  15           H        CYS  15  -4.101   1.472  -1.228
  111    HA   CYS  15           HA       CYS  15  -3.450   3.884   0.392
  112   1HB   CYS  15          1HB       CYS  15  -1.853   2.529  -1.760
  113   2HB   CYS  15          2HB       CYS  15  -1.322   3.891  -0.804
  114    H    CYS  16           H        CYS  16  -2.996   5.854  -0.504
  115    HA   CYS  16           HA       CYS  16  -4.721   6.713  -2.648
  116   1HB   CYS  16          1HB       CYS  16  -2.402   8.144  -1.294
  117   2HB   CYS  16          2HB       CYS  16  -3.683   8.895  -2.201
  118    H    SER  17           H        SER  17  -1.419   5.876  -2.154
  119    HA   SER  17           HA       SER  17  -0.342   6.701  -4.704
  120   1HB   SER  17          1HB       SER  17   1.094   6.370  -2.662
  121   2HB   SER  17          2HB       SER  17   0.709   4.644  -2.681
  122    HG   SER  17           HG       SER  17   1.597   4.502  -4.733
  123    H    GLY  18           H        GLY  18  -2.157   4.046  -3.547
  124   1HA   GLY  18          1HA       GLY  18  -3.210   2.328  -4.728
  125   2HA   GLY  18          2HA       GLY  18  -2.397   2.867  -6.198
  126    H    SER  19           H        SER  19  -0.020   2.634  -4.049
  127    HA   SER  19           HA       SER  19   0.593  -0.233  -4.636
  128   1HB   SER  19          1HB       SER  19   3.010   0.521  -4.705
  129   2HB   SER  19          2HB       SER  19   2.042   1.346  -5.935
  130    HG   SER  19           HG       SER  19   1.690   2.998  -4.302
  131    H    CYS  20           H        CYS  20   0.731  -1.434  -2.903
  132    HA   CYS  20           HA       CYS  20   1.619  -0.247  -0.317
  133   1HB   CYS  20          1HB       CYS  20  -0.829  -0.432  -0.315
  134   2HB   CYS  20          2HB       CYS  20  -0.762  -2.097  -0.752
  135    H    GLY  21           H        GLY  21   3.232  -1.287   0.492
  136   1HA   GLY  21          1HA       GLY  21   4.427  -3.608  -0.647
  137   2HA   GLY  21          2HA       GLY  21   4.895  -2.853   0.864
  138    H    ARG  22           H        ARG  22   5.231  -5.323   0.835
  139    HA   ARG  22           HA       ARG  22   2.998  -7.004   1.670
  140   1HB   ARG  22          1HB       ARG  22   6.011  -7.478   1.875
  141   2HB   ARG  22          2HB       ARG  22   4.779  -8.710   2.051
  142   1HG   ARG  22          1HG       ARG  22   5.317  -7.101  -0.488
  143   2HG   ARG  22          2HG       ARG  22   5.793  -8.760  -0.213
  144   1HD   ARG  22          1HD       ARG  22   3.379  -9.427  -0.030
  145   2HD   ARG  22          2HD       ARG  22   2.909  -7.756  -0.314
  146    HE   ARG  22           HE       ARG  22   3.408  -8.004  -2.578
  147   1HH1  ARG  22          1HH1      ARG  22   4.746 -10.637  -0.758
  148   2HH1  ARG  22          2HH1      ARG  22   5.186 -11.532  -2.172
  149   1HH2  ARG  22          1HH2      ARG  22   3.960  -9.121  -4.372
  150   2HH2  ARG  22          2HH2      ARG  22   4.737 -10.664  -4.247
  151    H    ARG  23           H        ARG  23   4.986  -4.748   3.142
  152    HA   ARG  23           HA       ARG  23   4.948  -5.824   5.860
  153   1HB   ARG  23          1HB       ARG  23   6.769  -4.314   5.009
  154   2HB   ARG  23          2HB       ARG  23   5.592  -3.035   4.786
  155   1HG   ARG  23          1HG       ARG  23   5.139  -3.038   7.261
  156   2HG   ARG  23          2HG       ARG  23   6.328  -4.314   7.457
  157   1HD   ARG  23          1HD       ARG  23   8.096  -2.802   6.575
  158   2HD   ARG  23          2HD       ARG  23   6.887  -1.543   6.319
  159    HE   ARG  23           HE       ARG  23   6.962  -2.548   9.060
  160   1HH1  ARG  23          1HH1      ARG  23   8.289  -0.291   6.781
  161   2HH1  ARG  23          2HH1      ARG  23   8.809   0.810   8.010
  162   1HH2  ARG  23          1HH2      ARG  23   7.618  -1.164  10.626
  163   2HH2  ARG  23          2HH2      ARG  23   8.428   0.311  10.216
  164    H    GLY  24           H        GLY  24   2.820  -4.253   3.780
  165   1HA   GLY  24          1HA       GLY  24   0.532  -3.799   4.154
  166   2HA   GLY  24          2HA       GLY  24   0.802  -3.893   5.896
  167    H    LYS  25           H        LYS  25   2.959  -2.038   3.947
  168    HA   LYS  25           HA       LYS  25   1.754   0.520   4.980
  169   1HB   LYS  25          1HB       LYS  25   4.644   0.087   4.156
  170   2HB   LYS  25          2HB       LYS  25   3.977   1.477   4.955
  171   1HG   LYS  25          1HG       LYS  25   4.100  -1.269   6.242
  172   2HG   LYS  25          2HG       LYS  25   5.221   0.040   6.550
  173   1HD   LYS  25          1HD       LYS  25   3.385   1.454   7.425
  174   2HD   LYS  25          2HD       LYS  25   2.212   0.200   7.076
  175   1HE   LYS  25          1HE       LYS  25   2.870   0.142   9.462
  176   2HE   LYS  25          2HE       LYS  25   3.372  -1.336   8.656
  177   1HZ   LYS  25          1HZ       LYS  25   5.389   0.644   8.461
  178   2HZ   LYS  25          2HZ       LYS  25   4.942   0.403  10.082
  179   3HZ   LYS  25          3HZ       LYS  25   5.460  -0.911   9.137
  180    H    CYS  26           H        CYS  26   1.970   2.318   3.554
  181    HA   CYS  26           HA       CYS  26   1.449   1.555   0.771
  182   1HB   CYS  26          1HB       CYS  26   1.362   4.167   2.200
  183   2HB   CYS  26          2HB       CYS  26   0.910   3.981   0.521
  184   1HN   NH2  27          1HT       NH2  27   2.226   3.151  -0.984
  185   2HN   NH2  27          2HT       NH2  27   3.890   3.423  -1.069
  Start of MODEL   13
    1   1H    CYS   1          1H        CYS   1  -8.464   7.546   0.986
    2   2H    CYS   1          2H        CYS   1  -9.198   6.120   0.426
    3   3H    CYS   1          3H        CYS   1  -8.710   6.245   2.048
    4    HA   CYS   1           HA       CYS   1  -7.119   4.901   0.882
    5   1HB   CYS   1          1HB       CYS   1  -5.905   5.771  -1.014
    6   2HB   CYS   1          2HB       CYS   1  -7.602   5.898  -1.363
    7    H    LYS   2           H        LYS   2  -4.950   4.971   1.397
    8    HA   LYS   2           HA       LYS   2  -4.204   7.278   3.183
    9   1HB   LYS   2          1HB       LYS   2  -3.462   4.429   3.479
   10   2HB   LYS   2          2HB       LYS   2  -2.958   5.790   4.482
   11   1HG   LYS   2          1HG       LYS   2  -5.520   6.330   4.700
   12   2HG   LYS   2          2HG       LYS   2  -5.765   4.693   4.113
   13   1HD   LYS   2          1HD       LYS   2  -4.069   5.529   6.388
   14   2HD   LYS   2          2HD       LYS   2  -5.680   4.859   6.617
   15   1HE   LYS   2          1HE       LYS   2  -4.900   2.701   5.553
   16   2HE   LYS   2          2HE       LYS   2  -3.269   3.352   5.458
   17   1HZ   LYS   2          1HZ       LYS   2  -4.052   3.767   8.047
   18   2HZ   LYS   2          2HZ       LYS   2  -4.620   2.213   7.665
   19   3HZ   LYS   2          3HZ       LYS   2  -2.977   2.586   7.473
   20    H    GLY   3           H        GLY   3  -2.451   8.261   2.898
   21   1HA   GLY   3          1HA       GLY   3  -0.743   8.098   0.619
   22   2HA   GLY   3          2HA       GLY   3  -0.392   9.036   2.063
   23    H    LYS   4           H        LYS   4   1.657   7.958   0.751
   24    HA   LYS   4           HA       LYS   4   2.632   5.451   1.109
   25   1HB   LYS   4          1HB       LYS   4   4.836   6.381   0.937
   26   2HB   LYS   4          2HB       LYS   4   3.747   7.235  -0.113
   27   1HG   LYS   4          1HG       LYS   4   4.753   8.265   2.568
   28   2HG   LYS   4          2HG       LYS   4   5.326   8.766   0.998
   29   1HD   LYS   4          1HD       LYS   4   3.016   9.654   0.474
   30   2HD   LYS   4          2HD       LYS   4   2.522   9.233   2.108
   31   1HE   LYS   4          1HE       LYS   4   3.153  11.597   2.021
   32   2HE   LYS   4          2HE       LYS   4   4.244  10.701   3.069
   33   1HZ   LYS   4          1HZ       LYS   4   4.906  11.077   0.230
   34   2HZ   LYS   4          2HZ       LYS   4   5.194  12.324   1.348
   35   3HZ   LYS   4          3HZ       LYS   4   5.941  10.813   1.550
   36    H    GLY   5           H        GLY   5   3.498   4.208   2.546
   37   1HA   GLY   5          1HA       GLY   5   4.400   3.351   4.496
   38   2HA   GLY   5          2HA       GLY   5   4.626   4.977   5.094
   39    H    ALA   6           H        ALA   6   1.452   4.760   4.269
   40    HA   ALA   6           HA       ALA   6   0.630   4.571   7.064
   41   1HB   ALA   6          1HB       ALA   6  -0.444   6.168   5.540
   42   2HB   ALA   6          2HB       ALA   6  -1.011   4.839   4.536
   43   3HB   ALA   6          3HB       ALA   6  -1.634   5.039   6.168
   44    HA   PRO   7           HA       PRO   7  -0.161   0.254   7.191
   45   1HB   PRO   7          1HB       PRO   7  -2.313   0.222   9.033
   46   2HB   PRO   7          2HB       PRO   7  -0.599   0.196   9.403
   47   1HG   PRO   7          1HG       PRO   7  -2.506   2.423   9.642
   48   2HG   PRO   7          2HG       PRO   7  -0.936   2.219  10.402
   49   1HD   PRO   7          1HD       PRO   7  -1.527   3.940   8.217
   50   2HD   PRO   7          2HD       PRO   7   0.087   3.513   8.813
   51    H    CYS   8           H        CYS   8  -0.855   0.261   5.013
   52    HA   CYS   8           HA       CYS   8  -3.731   0.216   4.395
   53   1HB   CYS   8          1HB       CYS   8  -2.870  -0.081   2.048
   54   2HB   CYS   8          2HB       CYS   8  -2.386   1.375   2.810
   55    H    ARG   9           H        ARG   9  -3.957  -1.437   2.446
   56    HA   ARG   9           HA       ARG   9  -3.230  -4.190   3.260
   57   1HB   ARG   9          1HB       ARG   9  -6.039  -3.240   2.473
   58   2HB   ARG   9          2HB       ARG   9  -5.589  -4.890   2.867
   59   1HG   ARG   9          1HG       ARG   9  -5.033  -4.205   5.181
   60   2HG   ARG   9          2HG       ARG   9  -5.427  -2.540   4.804
   61   1HD   ARG   9          1HD       ARG   9  -7.377  -4.889   4.710
   62   2HD   ARG   9          2HD       ARG   9  -7.345  -3.633   5.940
   63    HE   ARG   9           HE       ARG   9  -8.538  -3.417   3.323
   64   1HH1  ARG   9          1HH1      ARG   9  -6.859  -1.608   5.765
   65   2HH1  ARG   9          2HH1      ARG   9  -7.555  -0.101   5.273
   66   1HH2  ARG   9          1HH2      ARG   9  -9.425  -1.533   2.700
   67   2HH2  ARG   9          2HH2      ARG   9  -9.035  -0.057   3.518
   68    H    LYS  10           H        LYS  10  -1.894  -4.441   1.539
   69    HA   LYS  10           HA       LYS  10  -2.247  -3.350  -1.071
   70   1HB   LYS  10          1HB       LYS  10  -0.512  -4.941  -1.787
   71   2HB   LYS  10          2HB       LYS  10  -0.090  -4.302  -0.220
   72   1HG   LYS  10          1HG       LYS  10  -1.288  -7.049  -0.702
   73   2HG   LYS  10          2HG       LYS  10   0.398  -6.702  -0.392
   74   1HD   LYS  10          1HD       LYS  10  -0.272  -5.756   1.874
   75   2HD   LYS  10          2HD       LYS  10  -1.915  -6.295   1.551
   76   1HE   LYS  10          1HE       LYS  10  -0.784  -7.978   2.898
   77   2HE   LYS  10          2HE       LYS  10  -1.158  -8.627   1.308
   78   1HZ   LYS  10          1HZ       LYS  10   1.465  -7.549   2.168
   79   2HZ   LYS  10          2HZ       LYS  10   1.069  -9.189   1.987
   80   3HZ   LYS  10          3HZ       LYS  10   1.112  -8.171   0.629
   81    H    THR  11           H        THR  11  -3.710  -5.849   0.550
   82    HA   THR  11           HA       THR  11  -4.592  -7.780  -1.170
   83    HB   THR  11           HB       THR  11  -6.162  -6.270   0.993
   84    HG1  THR  11           HG1      THR  11  -4.133  -7.120   1.559
   85   1HG2  THR  11          1HG2      THR  11  -6.394  -9.197   0.010
   86   2HG2  THR  11          2HG2      THR  11  -7.366  -8.465   1.277
   87   3HG2  THR  11          3HG2      THR  11  -7.579  -7.965  -0.392
   88    H    MET  12           H        MET  12  -5.902  -4.620  -0.677
   89    HA   MET  12           HA       MET  12  -7.306  -4.644  -3.307
   90   1HB   MET  12          1HB       MET  12  -9.167  -3.379  -2.208
   91   2HB   MET  12          2HB       MET  12  -8.955  -4.959  -1.481
   92   1HG   MET  12          1HG       MET  12  -7.629  -3.971   0.352
   93   2HG   MET  12          2HG       MET  12  -7.785  -2.389  -0.351
   94   1HE   MET  12          1HE       MET  12 -10.273  -1.302  -0.774
   95   2HE   MET  12          2HE       MET  12 -10.997  -1.017   0.797
   96   3HE   MET  12          3HE       MET  12  -9.285  -0.704   0.581
   97    H    TYR  13           H        TYR  13  -4.799  -3.471  -1.782
   98    HA   TYR  13           HA       TYR  13  -3.521  -1.527  -1.808
   99   1HB   TYR  13          1HB       TYR  13  -5.073  -1.189  -4.436
  100   2HB   TYR  13          2HB       TYR  13  -3.593  -0.326  -4.028
  101    HD1  TYR  13           HD1      TYR  13  -1.521  -1.743  -3.419
  102    HD2  TYR  13           HD2      TYR  13  -4.940  -3.392  -5.351
  103    HE1  TYR  13           HE1      TYR  13  -0.184  -3.657  -4.150
  104    HE2  TYR  13           HE2      TYR  13  -3.600  -5.306  -6.082
  105    HH   TYR  13           HH       TYR  13  -0.559  -5.422  -6.359
  106    H    ASP  14           H        ASP  14  -4.708  -0.966  -0.011
  107    HA   ASP  14           HA       ASP  14  -6.901   0.943  -0.076
  108   1HB   ASP  14          1HB       ASP  14  -6.814  -0.750   1.617
  109   2HB   ASP  14          2HB       ASP  14  -5.220  -0.350   2.122
  110    H    CYS  15           H        CYS  15  -4.070   1.506  -1.091
  111    HA   CYS  15           HA       CYS  15  -3.527   4.039   0.402
  112   1HB   CYS  15          1HB       CYS  15  -1.779   2.563  -1.554
  113   2HB   CYS  15          2HB       CYS  15  -1.324   3.978  -0.638
  114    H    CYS  16           H        CYS  16  -3.189   5.985  -0.663
  115    HA   CYS  16           HA       CYS  16  -4.846   6.478  -2.959
  116   1HB   CYS  16          1HB       CYS  16  -2.664   8.188  -1.714
  117   2HB   CYS  16          2HB       CYS  16  -3.921   8.750  -2.779
  118    H    SER  17           H        SER  17  -1.520   5.841  -2.350
  119    HA   SER  17           HA       SER  17  -0.452   6.490  -4.954
  120   1HB   SER  17          1HB       SER  17   0.972   6.341  -2.863
  121   2HB   SER  17          2HB       SER  17   0.654   4.602  -2.800
  122    HG   SER  17           HG       SER  17   1.521   4.425  -4.886
  123    H    GLY  18           H        GLY  18  -2.010   3.791  -3.476
  124   1HA   GLY  18          1HA       GLY  18  -2.996   1.896  -4.417
  125   2HA   GLY  18          2HA       GLY  18  -2.477   2.449  -6.005
  126    H    SER  19           H        SER  19   0.231   2.535  -4.226
  127    HA   SER  19           HA       SER  19   1.082  -0.203  -5.053
  128   1HB   SER  19          1HB       SER  19   3.396   0.833  -5.084
  129   2HB   SER  19          2HB       SER  19   2.285   1.706  -6.150
  130    HG   SER  19           HG       SER  19   3.124   2.363  -3.539
  131    H    CYS  20           H        CYS  20  -0.291  -0.348  -2.837
  132    HA   CYS  20           HA       CYS  20   1.145   0.162  -0.412
  133   1HB   CYS  20          1HB       CYS  20  -1.243  -0.141  -0.363
  134   2HB   CYS  20          2HB       CYS  20  -1.149  -1.713  -1.041
  135    H    GLY  21           H        GLY  21   2.844  -0.745   0.289
  136   1HA   GLY  21          1HA       GLY  21   4.225  -2.939  -0.838
  137   2HA   GLY  21          2HA       GLY  21   4.577  -2.212   0.720
  138    H    ARG  22           H        ARG  22   4.982  -4.773   0.310
  139    HA   ARG  22           HA       ARG  22   2.846  -6.544   1.123
  140   1HB   ARG  22          1HB       ARG  22   4.653  -8.246   1.244
  141   2HB   ARG  22          2HB       ARG  22   4.729  -7.320  -0.242
  142   1HG   ARG  22          1HG       ARG  22   6.528  -5.875   0.756
  143   2HG   ARG  22          2HG       ARG  22   6.444  -6.803   2.239
  144   1HD   ARG  22          1HD       ARG  22   8.329  -7.557   0.848
  145   2HD   ARG  22          2HD       ARG  22   7.158  -8.853   0.999
  146    HE   ARG  22           HE       ARG  22   7.689  -7.218  -1.425
  147   1HH1  ARG  22          1HH1      ARG  22   5.860  -9.757   0.102
  148   2HH1  ARG  22          2HH1      ARG  22   5.299 -10.387  -1.407
  149   1HH2  ARG  22          1HH2      ARG  22   6.974  -8.010  -3.319
  150   2HH2  ARG  22          2HH2      ARG  22   5.929  -9.390  -3.363
  151    H    ARG  23           H        ARG  23   4.908  -4.462   2.776
  152    HA   ARG  23           HA       ARG  23   4.977  -5.860   5.343
  153   1HB   ARG  23          1HB       ARG  23   6.771  -4.293   4.555
  154   2HB   ARG  23          2HB       ARG  23   5.623  -2.971   4.579
  155   1HG   ARG  23          1HG       ARG  23   5.362  -3.237   7.059
  156   2HG   ARG  23          2HG       ARG  23   6.502  -4.571   7.031
  157   1HD   ARG  23          1HD       ARG  23   7.094  -1.695   6.190
  158   2HD   ARG  23          2HD       ARG  23   7.602  -2.443   7.703
  159    HE   ARG  23           HE       ARG  23   8.572  -4.111   5.668
  160   1HH1  ARG  23          1HH1      ARG  23   8.917  -0.813   6.678
  161   2HH1  ARG  23          2HH1      ARG  23  10.532  -0.678   6.073
  162   1HH2  ARG  23          1HH2      ARG  23  10.617  -3.962   4.898
  163   2HH2  ARG  23          2HH2      ARG  23  11.512  -2.487   5.051
  164    H    GLY  24           H        GLY  24   2.619  -4.369   3.616
  165   1HA   GLY  24          1HA       GLY  24   0.392  -3.933   4.226
  166   2HA   GLY  24          2HA       GLY  24   0.837  -4.087   5.928
  167    H    LYS  25           H        LYS  25   2.886  -2.115   4.060
  168    HA   LYS  25           HA       LYS  25   1.622   0.383   5.153
  169   1HB   LYS  25          1HB       LYS  25   4.544   0.011   4.377
  170   2HB   LYS  25          2HB       LYS  25   3.839   1.363   5.215
  171   1HG   LYS  25          1HG       LYS  25   3.961  -1.436   6.375
  172   2HG   LYS  25          2HG       LYS  25   5.050  -0.129   6.790
  173   1HD   LYS  25          1HD       LYS  25   3.162   1.223   7.652
  174   2HD   LYS  25          2HD       LYS  25   2.022  -0.024   7.194
  175   1HE   LYS  25          1HE       LYS  25   4.269  -0.368   9.218
  176   2HE   LYS  25          2HE       LYS  25   2.562  -0.184   9.595
  177   1HZ   LYS  25          1HZ       LYS  25   2.270  -2.193   8.060
  178   2HZ   LYS  25          2HZ       LYS  25   3.931  -2.442   8.309
  179   3HZ   LYS  25          3HZ       LYS  25   2.867  -2.442   9.632
  180    H    CYS  26           H        CYS  26   1.901   2.257   3.754
  181    HA   CYS  26           HA       CYS  26   1.324   1.547   0.982
  182   1HB   CYS  26          1HB       CYS  26   1.442   4.175   2.402
  183   2HB   CYS  26          2HB       CYS  26   0.994   4.024   0.721
  184   1HN   NH2  27          1HT       NH2  27   2.279   2.802  -0.876
  185   2HN   NH2  27          2HT       NH2  27   3.957   3.031  -0.904
  Start of MODEL   14
    1   1H    CYS   1          1H        CYS   1  -8.153   8.098   1.022
    2   2H    CYS   1          2H        CYS   1  -9.053   6.896   0.226
    3   3H    CYS   1          3H        CYS   1  -8.792   6.794   1.902
    4    HA   CYS   1           HA       CYS   1  -7.344   5.253   0.851
    5   1HB   CYS   1          1HB       CYS   1  -5.689   6.002  -0.791
    6   2HB   CYS   1          2HB       CYS   1  -7.298   6.305  -1.379
    7    H    LYS   2           H        LYS   2  -5.315   4.874   1.623
    8    HA   LYS   2           HA       LYS   2  -4.421   6.644   3.807
    9   1HB   LYS   2          1HB       LYS   2  -3.764   3.781   3.011
   10   2HB   LYS   2          2HB       LYS   2  -2.952   4.595   4.320
   11   1HG   LYS   2          1HG       LYS   2  -4.789   3.174   5.128
   12   2HG   LYS   2          2HG       LYS   2  -5.006   4.853   5.568
   13   1HD   LYS   2          1HD       LYS   2  -6.694   5.149   3.835
   14   2HD   LYS   2          2HD       LYS   2  -6.421   3.543   3.197
   15   1HE   LYS   2          1HE       LYS   2  -7.189   2.657   5.475
   16   2HE   LYS   2          2HE       LYS   2  -7.507   4.320   5.945
   17   1HZ   LYS   2          1HZ       LYS   2  -8.872   4.332   3.757
   18   2HZ   LYS   2          2HZ       LYS   2  -8.891   2.650   3.986
   19   3HZ   LYS   2          3HZ       LYS   2  -9.527   3.675   5.181
   20    H    GLY   3           H        GLY   3  -2.731   7.889   3.673
   21   1HA   GLY   3          1HA       GLY   3  -1.312   8.498   1.326
   22   2HA   GLY   3          2HA       GLY   3  -0.789   8.940   2.941
   23    H    LYS   4           H        LYS   4   1.186   8.597   1.362
   24    HA   LYS   4           HA       LYS   4   2.172   5.986   0.859
   25   1HB   LYS   4          1HB       LYS   4   3.089   8.066  -0.177
   26   2HB   LYS   4          2HB       LYS   4   3.714   8.572   1.377
   27   1HG   LYS   4          1HG       LYS   4   5.519   7.593   0.035
   28   2HG   LYS   4          2HG       LYS   4   5.219   6.577   1.428
   29   1HD   LYS   4          1HD       LYS   4   3.841   5.046   0.008
   30   2HD   LYS   4          2HD       LYS   4   4.125   6.078  -1.383
   31   1HE   LYS   4          1HE       LYS   4   6.581   5.643  -1.165
   32   2HE   LYS   4          2HE       LYS   4   6.261   4.601   0.217
   33   1HZ   LYS   4          1HZ       LYS   4   4.694   3.953  -2.096
   34   2HZ   LYS   4          2HZ       LYS   4   6.366   3.801  -2.346
   35   3HZ   LYS   4          3HZ       LYS   4   5.612   2.951  -1.082
   36    H    GLY   5           H        GLY   5   3.265   4.552   2.045
   37   1HA   GLY   5          1HA       GLY   5   4.254   3.487   3.859
   38   2HA   GLY   5          2HA       GLY   5   4.672   5.067   4.496
   39    H    ALA   6           H        ALA   6   1.339   4.639   3.916
   40    HA   ALA   6           HA       ALA   6   0.817   4.519   6.830
   41   1HB   ALA   6          1HB       ALA   6  -1.003   5.107   4.479
   42   2HB   ALA   6          2HB       ALA   6  -1.480   5.246   6.161
   43   3HB   ALA   6          3HB       ALA   6  -0.247   6.310   5.509
   44    HA   PRO   7           HA       PRO   7  -0.320   0.322   6.899
   45   1HB   PRO   7          1HB       PRO   7  -2.673   0.423   8.503
   46   2HB   PRO   7          2HB       PRO   7  -1.018   0.182   9.031
   47   1HG   PRO   7          1HG       PRO   7  -2.680   2.577   9.259
   48   2HG   PRO   7          2HG       PRO   7  -1.163   2.205  10.063
   49   1HD   PRO   7          1HD       PRO   7  -1.535   4.049   7.927
   50   2HD   PRO   7          2HD       PRO   7   0.017   3.493   8.575
   51    H    CYS   8           H        CYS   8  -0.848  -0.340   4.946
   52    HA   CYS   8           HA       CYS   8  -3.687  -0.182   4.021
   53   1HB   CYS   8          1HB       CYS   8  -2.675  -0.470   1.761
   54   2HB   CYS   8          2HB       CYS   8  -2.347   1.030   2.533
   55    H    ARG   9           H        ARG   9  -4.058  -1.748   2.245
   56    HA   ARG   9           HA       ARG   9  -3.091  -4.485   2.758
   57   1HB   ARG   9          1HB       ARG   9  -5.461  -5.355   2.619
   58   2HB   ARG   9          2HB       ARG   9  -5.107  -4.497   4.087
   59   1HG   ARG   9          1HG       ARG   9  -6.571  -3.193   1.750
   60   2HG   ARG   9          2HG       ARG   9  -7.396  -4.059   3.022
   61   1HD   ARG   9          1HD       ARG   9  -5.612  -1.617   3.477
   62   2HD   ARG   9          2HD       ARG   9  -7.367  -1.636   3.507
   63    HE   ARG   9           HE       ARG   9  -6.824  -3.558   5.322
   64   1HH1  ARG   9          1HH1      ARG   9  -5.473  -0.395   4.885
   65   2HH1  ARG   9          2HH1      ARG   9  -5.144  -0.189   6.571
   66   1HH2  ARG   9          1HH2      ARG   9  -6.399  -3.315   7.447
   67   2HH2  ARG   9          2HH2      ARG   9  -5.666  -1.862   8.038
   68    H    LYS  10           H        LYS  10  -2.545  -5.309   1.053
   69    HA   LYS  10           HA       LYS  10  -2.671  -4.256  -1.582
   70   1HB   LYS  10          1HB       LYS  10  -2.288  -7.189  -0.817
   71   2HB   LYS  10          2HB       LYS  10  -1.889  -6.486  -2.361
   72   1HG   LYS  10          1HG       LYS  10   0.145  -6.837  -1.110
   73   2HG   LYS  10          2HG       LYS  10  -0.118  -5.116  -1.280
   74   1HD   LYS  10          1HD       LYS  10  -0.846  -4.906   1.022
   75   2HD   LYS  10          2HD       LYS  10  -0.921  -6.655   1.232
   76   1HE   LYS  10          1HE       LYS  10   1.544  -6.720   0.882
   77   2HE   LYS  10          2HE       LYS  10   1.557  -4.975   0.673
   78   1HZ   LYS  10          1HZ       LYS  10   0.530  -6.317   3.103
   79   2HZ   LYS  10          2HZ       LYS  10   2.132  -5.780   2.936
   80   3HZ   LYS  10          3HZ       LYS  10   0.855  -4.663   2.890
   81    H    THR  11           H        THR  11  -4.669  -6.309   0.235
   82    HA   THR  11           HA       THR  11  -6.292  -7.800  -1.311
   83    HB   THR  11           HB       THR  11  -7.245  -5.877   0.896
   84    HG1  THR  11           HG1      THR  11  -5.461  -7.262   1.340
   85   1HG2  THR  11          1HG2      THR  11  -8.300  -8.641   0.030
   86   2HG2  THR  11          2HG2      THR  11  -8.956  -7.638   1.314
   87   3HG2  THR  11          3HG2      THR  11  -9.131  -7.144  -0.360
   88    H    MET  12           H        MET  12  -6.361  -4.338  -1.111
   89    HA   MET  12           HA       MET  12  -7.834  -4.158  -3.658
   90   1HB   MET  12          1HB       MET  12  -9.539  -2.597  -2.680
   91   2HB   MET  12          2HB       MET  12  -9.643  -4.186  -1.951
   92   1HG   MET  12          1HG       MET  12  -8.309  -3.424  -0.027
   93   2HG   MET  12          2HG       MET  12  -8.114  -1.850  -0.738
   94   1HE   MET  12          1HE       MET  12 -10.204  -0.316  -1.337
   95   2HE   MET  12          2HE       MET  12 -11.101   0.110   0.106
   96   3HE   MET  12          3HE       MET  12  -9.345   0.112   0.162
   97    H    TYR  13           H        TYR  13  -5.260  -3.374  -2.005
   98    HA   TYR  13           HA       TYR  13  -3.720  -1.614  -1.957
   99   1HB   TYR  13          1HB       TYR  13  -5.121  -1.062  -4.644
  100   2HB   TYR  13          2HB       TYR  13  -3.586  -0.348  -4.156
  101    HD1  TYR  13           HD1      TYR  13  -1.642  -1.887  -3.615
  102    HD2  TYR  13           HD2      TYR  13  -5.199  -3.336  -5.459
  103    HE1  TYR  13           HE1      TYR  13  -0.458  -3.914  -4.303
  104    HE2  TYR  13           HE2      TYR  13  -4.010  -5.363  -6.148
  105    HH   TYR  13           HH       TYR  13  -2.114  -6.508  -6.074
  106    H    ASP  14           H        ASP  14  -4.882  -0.990  -0.216
  107    HA   ASP  14           HA       ASP  14  -6.938   1.064  -0.271
  108   1HB   ASP  14          1HB       ASP  14  -6.904  -0.725   1.364
  109   2HB   ASP  14          2HB       ASP  14  -5.312  -0.265   1.908
  110    H    CYS  15           H        CYS  15  -4.075   1.478  -1.235
  111    HA   CYS  15           HA       CYS  15  -3.384   3.903   0.368
  112   1HB   CYS  15          1HB       CYS  15  -1.737   2.514  -1.713
  113   2HB   CYS  15          2HB       CYS  15  -1.228   3.797  -0.639
  114    H    CYS  16           H        CYS  16  -2.834   5.846  -0.588
  115    HA   CYS  16           HA       CYS  16  -4.432   6.634  -2.859
  116   1HB   CYS  16          1HB       CYS  16  -2.168   8.083  -1.441
  117   2HB   CYS  16          2HB       CYS  16  -3.352   8.813  -2.484
  118    H    SER  17           H        SER  17  -1.182   5.739  -2.158
  119    HA   SER  17           HA       SER  17   0.117   6.496  -4.597
  120   1HB   SER  17          1HB       SER  17   1.379   5.983  -2.489
  121   2HB   SER  17          2HB       SER  17   0.846   4.297  -2.580
  122    HG   SER  17           HG       SER  17   2.205   3.955  -4.136
  123    H    GLY  18           H        GLY  18  -1.988   3.936  -3.734
  124   1HA   GLY  18          1HA       GLY  18  -3.071   2.413  -5.161
  125   2HA   GLY  18          2HA       GLY  18  -1.988   2.887  -6.466
  126    H    SER  19           H        SER  19   0.229   2.391  -4.374
  127    HA   SER  19           HA       SER  19   0.395  -0.576  -4.720
  128   1HB   SER  19          1HB       SER  19   2.897  -0.198  -4.881
  129   2HB   SER  19          2HB       SER  19   2.034   0.663  -6.162
  130    HG   SER  19           HG       SER  19   3.012   1.669  -3.710
  131    H    CYS  20           H        CYS  20   0.457  -1.661  -2.881
  132    HA   CYS  20           HA       CYS  20   1.164  -0.202  -0.374
  133   1HB   CYS  20          1HB       CYS  20  -1.102  -0.872  -0.359
  134   2HB   CYS  20          2HB       CYS  20  -0.770  -2.497  -0.823
  135    H    GLY  21           H        GLY  21   2.947  -0.646   0.466
  136   1HA   GLY  21          1HA       GLY  21   4.847  -2.584  -0.218
  137   2HA   GLY  21          2HA       GLY  21   4.832  -1.704   1.306
  138    H    ARG  22           H        ARG  22   5.417  -4.427   0.514
  139    HA   ARG  22           HA       ARG  22   3.577  -6.366   1.497
  140   1HB   ARG  22          1HB       ARG  22   5.391  -7.956   1.359
  141   2HB   ARG  22          2HB       ARG  22   5.469  -6.894  -0.021
  142   1HG   ARG  22          1HG       ARG  22   7.244  -6.726   2.457
  143   2HG   ARG  22          2HG       ARG  22   7.722  -7.339   0.899
  144   1HD   ARG  22          1HD       ARG  22   7.004  -4.434   1.527
  145   2HD   ARG  22          2HD       ARG  22   8.589  -5.070   1.165
  146    HE   ARG  22           HE       ARG  22   6.505  -4.491  -0.780
  147   1HH1  ARG  22          1HH1      ARG  22   9.322  -6.392  -0.091
  148   2HH1  ARG  22          2HH1      ARG  22   9.700  -6.638  -1.762
  149   1HH2  ARG  22          1HH2      ARG  22   6.967  -4.792  -2.896
  150   2HH2  ARG  22          2HH2      ARG  22   8.349  -5.721  -3.373
  151    H    ARG  23           H        ARG  23   5.579  -4.245   3.205
  152    HA   ARG  23           HA       ARG  23   5.896  -5.908   5.590
  153   1HB   ARG  23          1HB       ARG  23   7.573  -4.244   4.873
  154   2HB   ARG  23          2HB       ARG  23   6.398  -2.961   4.955
  155   1HG   ARG  23          1HG       ARG  23   7.179  -4.547   7.424
  156   2HG   ARG  23          2HG       ARG  23   8.140  -3.191   6.882
  157   1HD   ARG  23          1HD       ARG  23   5.169  -2.999   7.639
  158   2HD   ARG  23          2HD       ARG  23   6.513  -2.493   8.634
  159    HE   ARG  23           HE       ARG  23   5.511  -1.154   6.226
  160   1HH1  ARG  23          1HH1      ARG  23   8.142  -1.523   8.461
  161   2HH1  ARG  23          2HH1      ARG  23   8.820   0.023   8.081
  162   1HH2  ARG  23          1HH2      ARG  23   6.362   0.799   5.735
  163   2HH2  ARG  23          2HH2      ARG  23   7.805   1.354   6.519
  164    H    GLY  24           H        GLY  24   3.562  -3.827   4.228
  165   1HA   GLY  24          1HA       GLY  24   1.239  -4.122   5.094
  166   2HA   GLY  24          2HA       GLY  24   1.888  -3.904   6.713
  167    H    LYS  25           H        LYS  25   3.449  -1.896   4.517
  168    HA   LYS  25           HA       LYS  25   1.622   0.391   5.229
  169   1HB   LYS  25          1HB       LYS  25   4.644   0.419   4.887
  170   2HB   LYS  25          2HB       LYS  25   3.667   1.820   5.232
  171   1HG   LYS  25          1HG       LYS  25   3.883  -0.596   7.078
  172   2HG   LYS  25          2HG       LYS  25   4.737   0.920   7.299
  173   1HD   LYS  25          1HD       LYS  25   2.573   2.113   7.547
  174   2HD   LYS  25          2HD       LYS  25   1.704   0.623   7.276
  175   1HE   LYS  25          1HE       LYS  25   1.877   1.109   9.693
  176   2HE   LYS  25          2HE       LYS  25   2.758  -0.361   9.307
  177   1HZ   LYS  25          1HZ       LYS  25   4.062   2.287   9.408
  178   2HZ   LYS  25          2HZ       LYS  25   3.919   1.282  10.771
  179   3HZ   LYS  25          3HZ       LYS  25   4.793   0.754   9.414
  180    H    CYS  26           H        CYS  26   1.839   2.212   3.746
  181    HA   CYS  26           HA       CYS  26   1.448   1.251   1.037
  182   1HB   CYS  26          1HB       CYS  26   1.308   4.006   2.201
  183   2HB   CYS  26          2HB       CYS  26   0.866   3.575   0.573
  184   1HN   NH2  27          1HT       NH2  27   2.220   2.554  -0.866
  185   2HN   NH2  27          2HT       NH2  27   3.869   2.911  -0.964
  Start of MODEL   15
    1   1H    CYS   1          1H        CYS   1  -8.271   7.899   1.341
    2   2H    CYS   1          2H        CYS   1  -9.172   6.648   0.628
    3   3H    CYS   1          3H        CYS   1  -8.752   6.563   2.272
    4    HA   CYS   1           HA       CYS   1  -7.329   5.105   1.058
    5   1HB   CYS   1          1HB       CYS   1  -5.874   5.975  -0.698
    6   2HB   CYS   1          2HB       CYS   1  -7.541   6.207  -1.129
    7    H    LYS   2           H        LYS   2  -5.215   4.822   1.650
    8    HA   LYS   2           HA       LYS   2  -4.224   6.658   3.754
    9   1HB   LYS   2          1HB       LYS   2  -3.616   3.756   3.077
   10   2HB   LYS   2          2HB       LYS   2  -2.764   4.634   4.320
   11   1HG   LYS   2          1HG       LYS   2  -4.542   3.253   5.292
   12   2HG   LYS   2          2HG       LYS   2  -4.823   4.951   5.602
   13   1HD   LYS   2          1HD       LYS   2  -6.566   5.030   3.886
   14   2HD   LYS   2          2HD       LYS   2  -6.222   3.389   3.382
   15   1HE   LYS   2          1HE       LYS   2  -8.210   3.486   4.855
   16   2HE   LYS   2          2HE       LYS   2  -6.924   2.637   5.698
   17   1HZ   LYS   2          1HZ       LYS   2  -7.352   5.541   6.006
   18   2HZ   LYS   2          2HZ       LYS   2  -8.147   4.397   6.977
   19   3HZ   LYS   2          3HZ       LYS   2  -6.452   4.497   6.997
   20    H    GLY   3           H        GLY   3  -2.566   7.928   3.417
   21   1HA   GLY   3          1HA       GLY   3  -1.172   8.210   0.951
   22   2HA   GLY   3          2HA       GLY   3  -0.671   8.929   2.477
   23    H    LYS   4           H        LYS   4   1.332   8.177   0.845
   24    HA   LYS   4           HA       LYS   4   2.266   5.550   0.885
   25   1HB   LYS   4          1HB       LYS   4   4.463   6.530   0.512
   26   2HB   LYS   4          2HB       LYS   4   3.233   7.249  -0.501
   27   1HG   LYS   4          1HG       LYS   4   3.076   9.192   1.069
   28   2HG   LYS   4          2HG       LYS   4   4.342   8.498   2.058
   29   1HD   LYS   4          1HD       LYS   4   4.632   9.273  -0.867
   30   2HD   LYS   4          2HD       LYS   4   5.207  10.230   0.484
   31   1HE   LYS   4          1HE       LYS   4   6.201   7.433  -0.274
   32   2HE   LYS   4          2HE       LYS   4   7.067   8.944  -0.483
   33   1HZ   LYS   4          1HZ       LYS   4   6.841   9.243   1.978
   34   2HZ   LYS   4          2HZ       LYS   4   6.331   7.623   2.048
   35   3HZ   LYS   4          3HZ       LYS   4   7.882   8.001   1.464
   36    H    GLY   5           H        GLY   5   3.369   4.303   2.201
   37   1HA   GLY   5          1HA       GLY   5   4.458   3.456   4.067
   38   2HA   GLY   5          2HA       GLY   5   4.767   5.094   4.603
   39    H    ALA   6           H        ALA   6   1.511   4.874   4.094
   40    HA   ALA   6           HA       ALA   6   0.972   4.645   6.982
   41   1HB   ALA   6          1HB       ALA   6  -0.060   6.475   5.681
   42   2HB   ALA   6          2HB       ALA   6  -0.860   5.299   4.653
   43   3HB   ALA   6          3HB       ALA   6  -1.312   5.439   6.336
   44    HA   PRO   7           HA       PRO   7  -0.226   0.508   7.044
   45   1HB   PRO   7          1HB       PRO   7  -2.465   0.541   8.765
   46   2HB   PRO   7          2HB       PRO   7  -0.774   0.458   9.225
   47   1HG   PRO   7          1HG       PRO   7  -2.618   2.753   9.347
   48   2HG   PRO   7          2HG       PRO   7  -1.121   2.485  10.226
   49   1HD   PRO   7          1HD       PRO   7  -1.467   4.243   8.039
   50   2HD   PRO   7          2HD       PRO   7   0.089   3.716   8.707
   51    H    CYS   8           H        CYS   8  -0.820   0.131   4.955
   52    HA   CYS   8           HA       CYS   8  -3.699   0.214   4.213
   53   1HB   CYS   8          1HB       CYS   8  -2.776  -0.101   1.894
   54   2HB   CYS   8          2HB       CYS   8  -2.371   1.376   2.656
   55    H    ARG   9           H        ARG   9  -3.848  -1.445   2.260
   56    HA   ARG   9           HA       ARG   9  -3.039  -4.190   2.982
   57   1HB   ARG   9          1HB       ARG   9  -5.937  -3.320   2.426
   58   2HB   ARG   9          2HB       ARG   9  -5.406  -4.960   2.748
   59   1HG   ARG   9          1HG       ARG   9  -4.764  -4.334   5.049
   60   2HG   ARG   9          2HG       ARG   9  -5.209  -2.666   4.747
   61   1HD   ARG   9          1HD       ARG   9  -7.122  -5.043   4.617
   62   2HD   ARG   9          2HD       ARG   9  -7.062  -3.858   5.915
   63    HE   ARG   9           HE       ARG   9  -8.324  -3.506   3.336
   64   1HH1  ARG   9          1HH1      ARG   9  -6.644  -1.845   5.877
   65   2HH1  ARG   9          2HH1      ARG   9  -7.371  -0.318   5.506
   66   1HH2  ARG   9          1HH2      ARG   9  -9.256  -1.590   2.861
   67   2HH2  ARG   9          2HH2      ARG   9  -8.871  -0.171   3.778
   68    H    LYS  10           H        LYS  10  -1.909  -4.477   1.270
   69    HA   LYS  10           HA       LYS  10  -2.272  -3.390  -1.335
   70   1HB   LYS  10          1HB       LYS  10  -0.590  -5.076  -1.955
   71   2HB   LYS  10          2HB       LYS  10  -0.173  -4.365  -0.403
   72   1HG   LYS  10          1HG       LYS  10  -1.393  -6.327   0.725
   73   2HG   LYS  10          2HG       LYS  10  -1.515  -7.069  -0.857
   74   1HD   LYS  10          1HD       LYS  10   1.015  -6.311   0.596
   75   2HD   LYS  10          2HD       LYS  10   0.406  -7.938   0.353
   76   1HE   LYS  10          1HE       LYS  10   1.328  -6.045  -1.841
   77   2HE   LYS  10          2HE       LYS  10   2.203  -7.445  -1.242
   78   1HZ   LYS  10          1HZ       LYS  10   0.199  -8.778  -1.900
   79   2HZ   LYS  10          2HZ       LYS  10  -0.346  -7.402  -2.733
   80   3HZ   LYS  10          3HZ       LYS  10   1.118  -8.140  -3.177
   81    H    THR  11           H        THR  11  -3.702  -5.902   0.340
   82    HA   THR  11           HA       THR  11  -4.672  -7.803  -1.372
   83    HB   THR  11           HB       THR  11  -6.119  -6.355   0.913
   84    HG1  THR  11           HG1      THR  11  -4.354  -8.569   0.672
   85   1HG2  THR  11          1HG2      THR  11  -6.419  -9.253  -0.132
   86   2HG2  THR  11          2HG2      THR  11  -7.307  -8.551   1.212
   87   3HG2  THR  11          3HG2      THR  11  -7.621  -8.007  -0.426
   88    H    MET  12           H        MET  12  -5.710  -4.589  -0.927
   89    HA   MET  12           HA       MET  12  -7.345  -4.597  -3.407
   90   1HB   MET  12          1HB       MET  12  -9.116  -3.278  -2.197
   91   2HB   MET  12          2HB       MET  12  -8.934  -4.894  -1.544
   92   1HG   MET  12          1HG       MET  12  -7.508  -4.036   0.269
   93   2HG   MET  12          2HG       MET  12  -7.586  -2.423  -0.371
   94   1HE   MET  12          1HE       MET  12  -9.978  -1.171  -0.668
   95   2HE   MET  12          2HE       MET  12 -10.674  -0.902   0.919
   96   3HE   MET  12          3HE       MET  12  -8.947  -0.681   0.698
   97    H    TYR  13           H        TYR  13  -4.787  -3.407  -1.911
   98    HA   TYR  13           HA       TYR  13  -3.513  -1.461  -1.996
   99   1HB   TYR  13          1HB       TYR  13  -5.110  -1.181  -4.608
  100   2HB   TYR  13          2HB       TYR  13  -3.633  -0.294  -4.240
  101    HD1  TYR  13           HD1      TYR  13  -1.564  -1.726  -3.539
  102    HD2  TYR  13           HD2      TYR  13  -4.937  -3.354  -5.572
  103    HE1  TYR  13           HE1      TYR  13  -0.215  -3.642  -4.240
  104    HE2  TYR  13           HE2      TYR  13  -3.583  -5.270  -6.271
  105    HH   TYR  13           HH       TYR  13  -0.991  -5.650  -6.654
  106    H    ASP  14           H        ASP  14  -4.706  -0.966  -0.208
  107    HA   ASP  14           HA       ASP  14  -6.916   0.916  -0.184
  108   1HB   ASP  14          1HB       ASP  14  -6.755  -0.867   1.440
  109   2HB   ASP  14          2HB       ASP  14  -5.170  -0.426   1.935
  110    H    CYS  15           H        CYS  15  -4.096   1.527  -1.226
  111    HA   CYS  15           HA       CYS  15  -3.525   3.985   0.367
  112   1HB   CYS  15          1HB       CYS  15  -1.849   2.633  -1.717
  113   2HB   CYS  15          2HB       CYS  15  -1.358   3.984  -0.723
  114    H    CYS  16           H        CYS  16  -3.153   5.961  -0.576
  115    HA   CYS  16           HA       CYS  16  -4.860   6.672  -2.773
  116   1HB   CYS  16          1HB       CYS  16  -2.538   8.204  -1.543
  117   2HB   CYS  16          2HB       CYS  16  -3.828   8.883  -2.492
  118    H    SER  17           H        SER  17  -1.549   5.916  -2.266
  119    HA   SER  17           HA       SER  17  -0.534   6.567  -4.903
  120   1HB   SER  17          1HB       SER  17   0.914   6.520  -2.822
  121   2HB   SER  17          2HB       SER  17   0.659   4.775  -2.724
  122    HG   SER  17           HG       SER  17   1.757   6.204  -4.909
  123    H    GLY  18           H        GLY  18  -2.035   3.890  -3.341
  124   1HA   GLY  18          1HA       GLY  18  -2.929   1.915  -4.170
  125   2HA   GLY  18          2HA       GLY  18  -2.523   2.461  -5.794
  126    H    SER  19           H        SER  19   0.224   2.611  -3.989
  127    HA   SER  19           HA       SER  19   1.180  -0.060  -4.930
  128   1HB   SER  19          1HB       SER  19   3.454   1.066  -4.931
  129   2HB   SER  19          2HB       SER  19   2.306   1.927  -5.967
  130    HG   SER  19           HG       SER  19   1.792   3.182  -4.042
  131    H    CYS  20           H        CYS  20  -0.028  -0.657  -2.874
  132    HA   CYS  20           HA       CYS  20   1.406  -0.121  -0.373
  133   1HB   CYS  20          1HB       CYS  20  -1.031  -0.264  -0.391
  134   2HB   CYS  20          2HB       CYS  20  -0.989  -1.876  -0.982
  135    H    GLY  21           H        GLY  21   2.919  -1.270   0.454
  136   1HA   GLY  21          1HA       GLY  21   4.014  -3.630  -0.820
  137   2HA   GLY  21          2HA       GLY  21   4.645  -2.820   0.601
  138    H    ARG  22           H        ARG  22   4.846  -5.311   0.564
  139    HA   ARG  22           HA       ARG  22   2.723  -6.935   1.679
  140   1HB   ARG  22          1HB       ARG  22   4.392  -8.678   1.901
  141   2HB   ARG  22          2HB       ARG  22   4.639  -7.888   0.368
  142   1HG   ARG  22          1HG       ARG  22   6.311  -7.467   2.889
  143   2HG   ARG  22          2HG       ARG  22   6.797  -8.359   1.469
  144   1HD   ARG  22          1HD       ARG  22   6.338  -5.350   1.623
  145   2HD   ARG  22          2HD       ARG  22   7.866  -6.182   1.421
  146    HE   ARG  22           HE       ARG  22   6.497  -7.139  -0.716
  147   1HH1  ARG  22          1HH1      ARG  22   6.943  -3.935   0.537
  148   2HH1  ARG  22          2HH1      ARG  22   6.815  -3.190  -1.020
  149   1HH2  ARG  22          1HH2      ARG  22   6.336  -6.212  -2.694
  150   2HH2  ARG  22          2HH2      ARG  22   6.469  -4.495  -2.875
  151    H    ARG  23           H        ARG  23   4.916  -4.721   2.944
  152    HA   ARG  23           HA       ARG  23   5.026  -5.764   5.669
  153   1HB   ARG  23          1HB       ARG  23   6.187  -3.601   6.136
  154   2HB   ARG  23          2HB       ARG  23   6.878  -4.422   4.750
  155   1HG   ARG  23          1HG       ARG  23   5.532  -2.955   3.213
  156   2HG   ARG  23          2HG       ARG  23   4.836  -2.150   4.603
  157   1HD   ARG  23          1HD       ARG  23   6.723  -0.836   3.664
  158   2HD   ARG  23          2HD       ARG  23   7.116  -1.391   5.291
  159    HE   ARG  23           HE       ARG  23   7.984  -3.305   3.315
  160   1HH1  ARG  23          1HH1      ARG  23   8.744  -0.230   4.724
  161   2HH1  ARG  23          2HH1      ARG  23  10.438  -0.373   4.394
  162   1HH2  ARG  23          1HH2      ARG  23  10.118  -3.505   2.889
  163   2HH2  ARG  23          2HH2      ARG  23  11.230  -2.255   3.339
  164    H    GLY  24           H        GLY  24   2.613  -4.520   3.900
  165   1HA   GLY  24          1HA       GLY  24   0.466  -3.842   4.493
  166   2HA   GLY  24          2HA       GLY  24   0.946  -3.894   6.187
  167    H    LYS  25           H        LYS  25   2.909  -2.080   4.005
  168    HA   LYS  25           HA       LYS  25   1.677   0.485   5.009
  169   1HB   LYS  25          1HB       LYS  25   4.617   0.089   4.317
  170   2HB   LYS  25          2HB       LYS  25   3.886   1.498   5.021
  171   1HG   LYS  25          1HG       LYS  25   3.986  -1.185   6.437
  172   2HG   LYS  25          2HG       LYS  25   5.071   0.154   6.744
  173   1HD   LYS  25          1HD       LYS  25   3.203   1.577   7.468
  174   2HD   LYS  25          2HD       LYS  25   2.034   0.335   7.076
  175   1HE   LYS  25          1HE       LYS  25   4.238   0.086   9.163
  176   2HE   LYS  25          2HE       LYS  25   2.530   0.335   9.499
  177   1HZ   LYS  25          1HZ       LYS  25   2.312  -1.787   8.010
  178   2HZ   LYS  25          2HZ       LYS  25   3.905  -2.052   8.532
  179   3HZ   LYS  25          3HZ       LYS  25   2.653  -1.902   9.670
  180    H    CYS  26           H        CYS  26   1.926   2.253   3.600
  181    HA   CYS  26           HA       CYS  26   1.453   1.487   0.815
  182   1HB   CYS  26          1HB       CYS  26   1.389   4.120   2.228
  183   2HB   CYS  26          2HB       CYS  26   0.929   3.901   0.555
  184   1HN   NH2  27          1HT       NH2  27   2.372   3.227  -0.883
  185   2HN   NH2  27          2HT       NH2  27   4.058   3.384  -0.867
  Start of MODEL   16
    1   1H    CYS   1          1H        CYS   1  -7.966   8.061   1.270
    2   2H    CYS   1          2H        CYS   1  -8.944   6.871   0.553
    3   3H    CYS   1          3H        CYS   1  -8.551   6.768   2.204
    4    HA   CYS   1           HA       CYS   1  -7.228   5.204   1.007
    5   1HB   CYS   1          1HB       CYS   1  -5.658   5.969  -0.708
    6   2HB   CYS   1          2HB       CYS   1  -7.294   6.309  -1.191
    7    H    LYS   2           H        LYS   2  -5.246   4.726   1.761
    8    HA   LYS   2           HA       LYS   2  -4.165   6.378   3.924
    9   1HB   LYS   2          1HB       LYS   2  -3.615   3.608   2.862
   10   2HB   LYS   2          2HB       LYS   2  -2.580   4.305   4.057
   11   1HG   LYS   2          1HG       LYS   2  -4.310   2.781   4.965
   12   2HG   LYS   2          2HG       LYS   2  -4.284   4.352   5.709
   13   1HD   LYS   2          1HD       LYS   2  -6.284   3.664   3.527
   14   2HD   LYS   2          2HD       LYS   2  -6.553   3.257   5.206
   15   1HE   LYS   2          1HE       LYS   2  -6.153   6.125   4.238
   16   2HE   LYS   2          2HE       LYS   2  -7.681   5.372   4.609
   17   1HZ   LYS   2          1HZ       LYS   2  -6.633   4.877   6.845
   18   2HZ   LYS   2          2HZ       LYS   2  -5.442   6.007   6.406
   19   3HZ   LYS   2          3HZ       LYS   2  -7.069   6.484   6.511
   20    H    GLY   3           H        GLY   3  -2.547   7.612   3.839
   21   1HA   GLY   3          1HA       GLY   3  -1.215   8.415   1.446
   22   2HA   GLY   3          2HA       GLY   3  -0.676   8.829   3.068
   23    H    LYS   4           H        LYS   4   1.263   8.443   1.277
   24    HA   LYS   4           HA       LYS   4   2.196   5.759   0.912
   25   1HB   LYS   4          1HB       LYS   4   2.918   7.782  -0.374
   26   2HB   LYS   4          2HB       LYS   4   3.774   8.370   1.024
   27   1HG   LYS   4          1HG       LYS   4   4.370   5.767  -0.442
   28   2HG   LYS   4          2HG       LYS   4   5.247   7.253  -0.691
   29   1HD   LYS   4          1HD       LYS   4   5.253   5.560   1.859
   30   2HD   LYS   4          2HD       LYS   4   6.537   5.749   0.708
   31   1HE   LYS   4          1HE       LYS   4   5.457   8.053   2.378
   32   2HE   LYS   4          2HE       LYS   4   6.941   7.172   2.687
   33   1HZ   LYS   4          1HZ       LYS   4   7.684   7.822   0.443
   34   2HZ   LYS   4          2HZ       LYS   4   6.309   8.808   0.307
   35   3HZ   LYS   4          3HZ       LYS   4   7.469   9.129   1.506
   36    H    GLY   5           H        GLY   5   3.027   4.413   2.329
   37   1HA   GLY   5          1HA       GLY   5   4.374   3.645   4.111
   38   2HA   GLY   5          2HA       GLY   5   4.566   5.294   4.681
   39    H    ALA   6           H        ALA   6   1.361   4.801   4.068
   40    HA   ALA   6           HA       ALA   6   0.745   4.450   6.949
   41   1HB   ALA   6          1HB       ALA   6  -0.980   5.319   4.610
   42   2HB   ALA   6          2HB       ALA   6  -1.513   5.315   6.276
   43   3HB   ALA   6          3HB       ALA   6  -0.215   6.379   5.773
   44    HA   PRO   7           HA       PRO   7  -0.392   0.335   6.787
   45   1HB   PRO   7          1HB       PRO   7  -2.699   0.221   8.388
   46   2HB   PRO   7          2HB       PRO   7  -1.033   0.212   8.935
   47   1HG   PRO   7          1HG       PRO   7  -2.994   2.423   8.975
   48   2HG   PRO   7          2HG       PRO   7  -1.565   2.184   9.973
   49   1HD   PRO   7          1HD       PRO   7  -1.780   4.001   7.829
   50   2HD   PRO   7          2HD       PRO   7  -0.264   3.469   8.573
   51    H    CYS   8           H        CYS   8  -0.881  -0.157   4.720
   52    HA   CYS   8           HA       CYS   8  -3.671   0.026   3.737
   53   1HB   CYS   8          1HB       CYS   8  -2.582  -0.535   1.563
   54   2HB   CYS   8          2HB       CYS   8  -2.160   0.962   2.282
   55    H    ARG   9           H        ARG   9  -3.994  -1.651   1.946
   56    HA   ARG   9           HA       ARG   9  -3.543  -4.436   2.847
   57   1HB   ARG   9          1HB       ARG   9  -6.268  -3.283   2.078
   58   2HB   ARG   9          2HB       ARG   9  -5.944  -4.952   2.506
   59   1HG   ARG   9          1HG       ARG   9  -5.278  -4.234   4.796
   60   2HG   ARG   9          2HG       ARG   9  -5.620  -2.565   4.366
   61   1HD   ARG   9          1HD       ARG   9  -7.668  -4.827   4.332
   62   2HD   ARG   9          2HD       ARG   9  -7.562  -3.581   5.564
   63    HE   ARG   9           HE       ARG   9  -8.693  -3.283   2.900
   64   1HH1  ARG   9          1HH1      ARG   9  -7.148  -1.641   5.532
   65   2HH1  ARG   9          2HH1      ARG   9  -7.816  -0.101   5.108
   66   1HH2  ARG   9          1HH2      ARG   9  -9.552  -1.343   2.352
   67   2HH2  ARG   9          2HH2      ARG   9  -9.196   0.070   3.287
   68    H    LYS  10           H        LYS  10  -2.621  -5.324   1.146
   69    HA   LYS  10           HA       LYS  10  -2.545  -4.286  -1.517
   70   1HB   LYS  10          1HB       LYS  10  -2.271  -7.228  -0.726
   71   2HB   LYS  10          2HB       LYS  10  -1.798  -6.551  -2.262
   72   1HG   LYS  10          1HG       LYS  10   0.177  -6.928  -0.952
   73   2HG   LYS  10          2HG       LYS  10  -0.053  -5.203  -1.126
   74   1HD   LYS  10          1HD       LYS  10  -0.882  -5.011   1.163
   75   2HD   LYS  10          2HD       LYS  10  -0.907  -6.763   1.355
   76   1HE   LYS  10          1HE       LYS  10   1.565  -6.771   1.034
   77   2HE   LYS  10          2HE       LYS  10   1.531  -5.028   0.810
   78   1HZ   LYS  10          1HZ       LYS  10   0.654  -6.466   3.252
   79   2HZ   LYS  10          2HZ       LYS  10   2.141  -5.664   3.065
   80   3HZ   LYS  10          3HZ       LYS  10   0.690  -4.781   3.041
   81    H    THR  11           H        THR  11  -4.603  -6.399   0.162
   82    HA   THR  11           HA       THR  11  -6.183  -7.835  -1.454
   83    HB   THR  11           HB       THR  11  -7.163  -5.988   0.797
   84    HG1  THR  11           HG1      THR  11  -6.097  -8.619   0.616
   85   1HG2  THR  11          1HG2      THR  11  -8.241  -8.709  -0.189
   86   2HG2  THR  11          2HG2      THR  11  -8.902  -7.757   1.131
   87   3HG2  THR  11          3HG2      THR  11  -9.054  -7.187  -0.521
   88    H    MET  12           H        MET  12  -6.421  -4.389  -1.083
   89    HA   MET  12           HA       MET  12  -7.894  -4.159  -3.638
   90   1HB   MET  12          1HB       MET  12  -9.603  -2.671  -2.561
   91   2HB   MET  12          2HB       MET  12  -9.637  -4.294  -1.904
   92   1HG   MET  12          1HG       MET  12  -8.271  -3.586   0.020
   93   2HG   MET  12          2HG       MET  12  -8.184  -1.964  -0.590
   94   1HE   MET  12          1HE       MET  12  -9.744  -4.374   1.680
   95   2HE   MET  12          2HE       MET  12 -11.435  -3.939   1.824
   96   3HE   MET  12          3HE       MET  12 -10.880  -4.731   0.358
   97    H    TYR  13           H        TYR  13  -5.298  -3.374  -2.063
   98    HA   TYR  13           HA       TYR  13  -3.782  -1.601  -2.017
   99   1HB   TYR  13          1HB       TYR  13  -5.277  -0.978  -4.633
  100   2HB   TYR  13          2HB       TYR  13  -3.722  -0.283  -4.184
  101    HD1  TYR  13           HD1      TYR  13  -1.768  -1.849  -3.746
  102    HD2  TYR  13           HD2      TYR  13  -5.393  -3.216  -5.521
  103    HE1  TYR  13           HE1      TYR  13  -0.620  -3.857  -4.546
  104    HE2  TYR  13           HE2      TYR  13  -4.239  -5.222  -6.320
  105    HH   TYR  13           HH       TYR  13  -1.702  -5.777  -6.896
  106    H    ASP  14           H        ASP  14  -4.870  -1.015  -0.219
  107    HA   ASP  14           HA       ASP  14  -6.906   1.054  -0.123
  108   1HB   ASP  14          1HB       ASP  14  -6.832  -0.764   1.505
  109   2HB   ASP  14          2HB       ASP  14  -5.207  -0.376   1.961
  110    H    CYS  15           H        CYS  15  -4.131   1.456  -1.261
  111    HA   CYS  15           HA       CYS  15  -3.232   3.819   0.326
  112   1HB   CYS  15          1HB       CYS  15  -1.845   2.397  -1.911
  113   2HB   CYS  15          2HB       CYS  15  -1.179   3.685  -0.940
  114    H    CYS  16           H        CYS  16  -2.823   5.777  -0.568
  115    HA   CYS  16           HA       CYS  16  -4.534   6.670  -2.703
  116   1HB   CYS  16          1HB       CYS  16  -2.160   8.003  -1.350
  117   2HB   CYS  16          2HB       CYS  16  -3.335   8.824  -2.327
  118    H    SER  17           H        SER  17  -1.240   5.757  -2.257
  119    HA   SER  17           HA       SER  17  -0.230   6.501  -4.870
  120   1HB   SER  17          1HB       SER  17   1.255   6.281  -2.844
  121   2HB   SER  17          2HB       SER  17   0.898   4.549  -2.788
  122    HG   SER  17           HG       SER  17   1.835   4.270  -4.740
  123    H    GLY  18           H        GLY  18  -1.971   3.893  -3.518
  124   1HA   GLY  18          1HA       GLY  18  -3.023   2.084  -4.522
  125   2HA   GLY  18          2HA       GLY  18  -2.369   2.600  -6.077
  126    H    SER  19           H        SER  19   0.152   2.402  -4.004
  127    HA   SER  19           HA       SER  19   0.795  -0.428  -4.739
  128   1HB   SER  19          1HB       SER  19   3.203   0.387  -4.818
  129   2HB   SER  19          2HB       SER  19   2.187   1.246  -5.984
  130    HG   SER  19           HG       SER  19   1.836   2.807  -4.266
  131    H    CYS  20           H        CYS  20   0.261  -1.469  -2.907
  132    HA   CYS  20           HA       CYS  20   1.134  -0.374  -0.291
  133   1HB   CYS  20          1HB       CYS  20  -1.161  -1.074  -0.477
  134   2HB   CYS  20          2HB       CYS  20  -0.718  -2.665  -0.981
  135    H    GLY  21           H        GLY  21   2.953  -0.893   0.436
  136   1HA   GLY  21          1HA       GLY  21   4.714  -2.943  -0.461
  137   2HA   GLY  21          2HA       GLY  21   4.923  -1.944   0.972
  138    H    ARG  22           H        ARG  22   5.476  -4.672   0.566
  139    HA   ARG  22           HA       ARG  22   3.696  -6.540   1.713
  140   1HB   ARG  22          1HB       ARG  22   6.733  -6.530   1.718
  141   2HB   ARG  22          2HB       ARG  22   5.745  -7.925   2.110
  142   1HG   ARG  22          1HG       ARG  22   4.710  -7.831  -0.156
  143   2HG   ARG  22          2HG       ARG  22   5.710  -6.445  -0.558
  144   1HD   ARG  22          1HD       ARG  22   7.761  -7.793  -0.227
  145   2HD   ARG  22          2HD       ARG  22   6.798  -9.196   0.219
  146    HE   ARG  22           HE       ARG  22   7.227  -8.164  -2.477
  147   1HH1  ARG  22          1HH1      ARG  22   5.122  -9.989  -0.410
  148   2HH1  ARG  22          2HH1      ARG  22   4.426 -10.880  -1.720
  149   1HH2  ARG  22          1HH2      ARG  22   6.355  -9.282  -4.147
  150   2HH2  ARG  22          2HH2      ARG  22   5.130 -10.474  -3.864
  151    H    ARG  23           H        ARG  23   5.674  -4.200   3.227
  152    HA   ARG  23           HA       ARG  23   5.628  -5.442   5.876
  153   1HB   ARG  23          1HB       ARG  23   6.723  -3.402   6.647
  154   2HB   ARG  23          2HB       ARG  23   7.481  -3.929   5.174
  155   1HG   ARG  23          1HG       ARG  23   5.520  -1.625   5.462
  156   2HG   ARG  23          2HG       ARG  23   7.238  -1.481   5.205
  157   1HD   ARG  23          1HD       ARG  23   5.180  -2.496   3.208
  158   2HD   ARG  23          2HD       ARG  23   6.143  -1.034   3.127
  159    HE   ARG  23           HE       ARG  23   7.617  -3.601   3.241
  160   1HH1  ARG  23          1HH1      ARG  23   6.546  -0.879   1.354
  161   2HH1  ARG  23          2HH1      ARG  23   7.680  -1.196   0.087
  162   1HH2  ARG  23          1HH2      ARG  23   9.031  -3.997   1.655
  163   2HH2  ARG  23          2HH2      ARG  23   9.103  -2.980   0.255
  164    H    GLY  24           H        GLY  24   3.221  -4.335   4.121
  165   1HA   GLY  24          1HA       GLY  24   1.008  -3.892   4.704
  166   2HA   GLY  24          2HA       GLY  24   1.489  -3.798   6.391
  167    H    LYS  25           H        LYS  25   3.351  -1.873   4.266
  168    HA   LYS  25           HA       LYS  25   1.738   0.556   5.042
  169   1HB   LYS  25          1HB       LYS  25   4.742   0.444   4.603
  170   2HB   LYS  25          2HB       LYS  25   3.825   1.806   5.180
  171   1HG   LYS  25          1HG       LYS  25   4.059  -0.810   6.714
  172   2HG   LYS  25          2HG       LYS  25   4.969   0.642   7.069
  173   1HD   LYS  25          1HD       LYS  25   2.891   1.863   7.590
  174   2HD   LYS  25          2HD       LYS  25   1.913   0.485   7.139
  175   1HE   LYS  25          1HE       LYS  25   3.951   0.543   9.404
  176   2HE   LYS  25          2HE       LYS  25   2.204   0.589   9.592
  177   1HZ   LYS  25          1HZ       LYS  25   2.304  -1.574   8.206
  178   2HZ   LYS  25          2HZ       LYS  25   3.915  -1.631   8.736
  179   3HZ   LYS  25          3HZ       LYS  25   2.649  -1.614   9.870
  180    H    CYS  26           H        CYS  26   1.905   2.285   3.571
  181    HA   CYS  26           HA       CYS  26   1.680   1.354   0.810
  182   1HB   CYS  26          1HB       CYS  26   1.278   4.039   2.057
  183   2HB   CYS  26          2HB       CYS  26   0.927   3.671   0.388
  184   1HN   NH2  27          1HT       NH2  27   2.431   2.806  -0.999
  185   2HN   NH2  27          2HT       NH2  27   4.051   3.290  -1.004
  Start of MODEL   17
    1   1H    CYS   1          1H        CYS   1  -8.914   6.196   1.951
    2   2H    CYS   1          2H        CYS   1  -8.283   7.594   1.222
    3   3H    CYS   1          3H        CYS   1  -9.150   6.467   0.290
    4    HA   CYS   1           HA       CYS   1  -7.453   4.808   0.665
    5   1HB   CYS   1          1HB       CYS   1  -5.702   5.870  -0.699
    6   2HB   CYS   1          2HB       CYS   1  -7.285   6.210  -1.320
    7    H    LYS   2           H        LYS   2  -4.986   4.777   0.991
    8    HA   LYS   2           HA       LYS   2  -4.359   5.872   3.675
    9   1HB   LYS   2          1HB       LYS   2  -4.744   3.363   3.442
   10   2HB   LYS   2          2HB       LYS   2  -3.417   3.312   2.312
   11   1HG   LYS   2          1HG       LYS   2  -2.446   2.644   4.310
   12   2HG   LYS   2          2HG       LYS   2  -1.984   4.308   4.174
   13   1HD   LYS   2          1HD       LYS   2  -4.150   3.143   5.930
   14   2HD   LYS   2          2HD       LYS   2  -2.606   3.744   6.469
   15   1HE   LYS   2          1HE       LYS   2  -4.181   5.372   7.148
   16   2HE   LYS   2          2HE       LYS   2  -3.472   6.067   5.702
   17   1HZ   LYS   2          1HZ       LYS   2  -5.520   4.634   4.705
   18   2HZ   LYS   2          2HZ       LYS   2  -6.152   5.153   6.191
   19   3HZ   LYS   2          3HZ       LYS   2  -5.578   6.292   5.072
   20    H    GLY   3           H        GLY   3  -2.898   7.351   3.680
   21   1HA   GLY   3          1HA       GLY   3  -1.381   8.264   1.485
   22   2HA   GLY   3          2HA       GLY   3  -1.019   8.638   3.164
   23    H    LYS   4           H        LYS   4   1.038   8.414   1.386
   24    HA   LYS   4           HA       LYS   4   2.235   5.914   1.004
   25   1HB   LYS   4          1HB       LYS   4   3.483   8.649   1.394
   26   2HB   LYS   4          2HB       LYS   4   4.340   7.244   0.790
   27   1HG   LYS   4          1HG       LYS   4   2.736   7.053  -1.094
   28   2HG   LYS   4          2HG       LYS   4   1.862   8.460  -0.510
   29   1HD   LYS   4          1HD       LYS   4   3.904   9.862  -0.787
   30   2HD   LYS   4          2HD       LYS   4   4.790   8.466  -1.368
   31   1HE   LYS   4          1HE       LYS   4   2.323   9.650  -2.720
   32   2HE   LYS   4          2HE       LYS   4   3.981   9.876  -3.253
   33   1HZ   LYS   4          1HZ       LYS   4   2.885   7.166  -2.934
   34   2HZ   LYS   4          2HZ       LYS   4   2.580   8.066  -4.338
   35   3HZ   LYS   4          3HZ       LYS   4   4.176   7.698  -3.895
   36    H    GLY   5           H        GLY   5   3.375   4.576   2.141
   37   1HA   GLY   5          1HA       GLY   5   4.494   3.517   3.874
   38   2HA   GLY   5          2HA       GLY   5   4.939   5.096   4.484
   39    H    ALA   6           H        ALA   6   1.614   4.857   4.193
   40    HA   ALA   6           HA       ALA   6   1.325   4.509   7.125
   41   1HB   ALA   6          1HB       ALA   6   0.322   6.501   6.064
   42   2HB   ALA   6          2HB       ALA   6  -0.640   5.491   5.013
   43   3HB   ALA   6          3HB       ALA   6  -0.948   5.495   6.731
   44    HA   PRO   7           HA       PRO   7  -0.022   0.439   7.054
   45   1HB   PRO   7          1HB       PRO   7  -2.211   0.468   8.836
   46   2HB   PRO   7          2HB       PRO   7  -0.513   0.281   9.226
   47   1HG   PRO   7          1HG       PRO   7  -2.238   2.639   9.553
   48   2HG   PRO   7          2HG       PRO   7  -0.707   2.267  10.332
   49   1HD   PRO   7          1HD       PRO   7  -1.105   4.149   8.268
   50   2HD   PRO   7          2HD       PRO   7   0.460   3.537   8.824
   51    H    CYS   8           H        CYS   8  -0.670   0.228   4.922
   52    HA   CYS   8           HA       CYS   8  -3.556   0.345   4.290
   53   1HB   CYS   8          1HB       CYS   8  -2.713  -0.181   1.962
   54   2HB   CYS   8          2HB       CYS   8  -2.302   1.361   2.554
   55    H    ARG   9           H        ARG   9  -4.217  -1.154   2.706
   56    HA   ARG   9           HA       ARG   9  -3.676  -4.017   3.333
   57   1HB   ARG   9          1HB       ARG   9  -6.351  -2.669   2.649
   58   2HB   ARG   9          2HB       ARG   9  -6.106  -4.382   2.990
   59   1HG   ARG   9          1HG       ARG   9  -5.363  -3.866   5.254
   60   2HG   ARG   9          2HG       ARG   9  -5.550  -2.146   4.937
   61   1HD   ARG   9          1HD       ARG   9  -7.838  -4.154   4.828
   62   2HD   ARG   9          2HD       ARG   9  -7.509  -3.105   6.198
   63    HE   ARG   9           HE       ARG   9  -8.774  -2.325   3.710
   64   1HH1  ARG   9          1HH1      ARG   9  -6.755  -1.234   6.315
   65   2HH1  ARG   9          2HH1      ARG   9  -7.218   0.422   6.128
   66   1HH2  ARG   9          1HH2      ARG   9  -9.381  -0.230   3.472
   67   2HH2  ARG   9          2HH2      ARG   9  -8.721   0.995   4.504
   68    H    LYS  10           H        LYS  10  -2.264  -4.160   1.633
   69    HA   LYS  10           HA       LYS  10  -2.581  -3.160  -1.006
   70   1HB   LYS  10          1HB       LYS  10  -0.820  -4.747  -1.647
   71   2HB   LYS  10          2HB       LYS  10  -0.428  -4.103  -0.074
   72   1HG   LYS  10          1HG       LYS  10  -1.649  -6.839  -0.594
   73   2HG   LYS  10          2HG       LYS  10   0.018  -6.520  -0.184
   74   1HD   LYS  10          1HD       LYS  10  -0.711  -5.598   2.043
   75   2HD   LYS  10          2HD       LYS  10  -2.369  -6.031   1.651
   76   1HE   LYS  10          1HE       LYS  10  -0.104  -8.027   1.801
   77   2HE   LYS  10          2HE       LYS  10  -1.349  -7.786   3.018
   78   1HZ   LYS  10          1HZ       LYS  10  -2.663  -8.101   0.608
   79   2HZ   LYS  10          2HZ       LYS  10  -1.462  -9.302   0.654
   80   3HZ   LYS  10          3HZ       LYS  10  -2.601  -9.187   1.910
   81    H    THR  11           H        THR  11  -3.993  -5.716   0.601
   82    HA   THR  11           HA       THR  11  -4.753  -7.624  -1.245
   83    HB   THR  11           HB       THR  11  -6.251  -6.446   1.144
   84    HG1  THR  11           HG1      THR  11  -4.051  -7.281   1.277
   85   1HG2  THR  11          1HG2      THR  11  -6.396  -9.278  -0.099
   86   2HG2  THR  11          2HG2      THR  11  -7.294  -8.732   1.310
   87   3HG2  THR  11          3HG2      THR  11  -7.689  -8.103  -0.279
   88    H    MET  12           H        MET  12  -5.991  -4.444  -0.831
   89    HA   MET  12           HA       MET  12  -7.725  -4.700  -3.230
   90   1HB   MET  12          1HB       MET  12  -9.494  -3.335  -2.021
   91   2HB   MET  12          2HB       MET  12  -9.244  -4.925  -1.330
   92   1HG   MET  12          1HG       MET  12  -7.922  -2.401  -0.284
   93   2HG   MET  12          2HG       MET  12  -9.364  -3.055   0.424
   94   1HE   MET  12          1HE       MET  12  -9.518  -4.571   2.256
   95   2HE   MET  12          2HE       MET  12  -9.329  -5.858   1.041
   96   3HE   MET  12          3HE       MET  12  -8.413  -5.904   2.539
   97    H    TYR  13           H        TYR  13  -5.068  -3.433  -2.454
   98    HA   TYR  13           HA       TYR  13  -3.883  -1.448  -2.827
   99   1HB   TYR  13          1HB       TYR  13  -6.101  -1.161  -4.929
  100   2HB   TYR  13          2HB       TYR  13  -4.591  -0.259  -4.940
  101    HD1  TYR  13           HD1      TYR  13  -2.423  -1.471  -5.244
  102    HD2  TYR  13           HD2      TYR  13  -6.156  -3.491  -5.621
  103    HE1  TYR  13           HE1      TYR  13  -1.304  -3.331  -6.376
  104    HE2  TYR  13           HE2      TYR  13  -5.032  -5.350  -6.754
  105    HH   TYR  13           HH       TYR  13  -2.486  -5.344  -8.221
  106    H    ASP  14           H        ASP  14  -4.860  -1.080  -0.700
  107    HA   ASP  14           HA       ASP  14  -6.962   0.895  -0.394
  108   1HB   ASP  14          1HB       ASP  14  -6.668  -0.903   1.195
  109   2HB   ASP  14          2HB       ASP  14  -5.030  -0.484   1.469
  110    H    CYS  15           H        CYS  15  -3.834   1.338  -1.352
  111    HA   CYS  15           HA       CYS  15  -3.381   3.806   0.217
  112   1HB   CYS  15          1HB       CYS  15  -1.687   2.508  -1.881
  113   2HB   CYS  15          2HB       CYS  15  -1.222   3.881  -0.910
  114    H    CYS  16           H        CYS  16  -2.996   5.780  -0.597
  115    HA   CYS  16           HA       CYS  16  -4.687   6.690  -2.723
  116   1HB   CYS  16          1HB       CYS  16  -2.329   8.085  -1.396
  117   2HB   CYS  16          2HB       CYS  16  -3.650   8.855  -2.231
  118    H    SER  17           H        SER  17  -1.420   5.770  -2.316
  119    HA   SER  17           HA       SER  17  -0.432   6.597  -4.937
  120   1HB   SER  17          1HB       SER  17   1.016   6.549  -2.870
  121   2HB   SER  17          2HB       SER  17   0.823   4.794  -2.807
  122    HG   SER  17           HG       SER  17   1.692   4.652  -4.876
  123    H    GLY  18           H        GLY  18  -1.893   3.850  -3.462
  124   1HA   GLY  18          1HA       GLY  18  -2.684   1.840  -4.338
  125   2HA   GLY  18          2HA       GLY  18  -2.358   2.482  -5.947
  126    H    SER  19           H        SER  19   0.156   2.382  -3.622
  127    HA   SER  19           HA       SER  19   1.408  -0.032  -4.871
  128   1HB   SER  19          1HB       SER  19   3.611   1.227  -4.700
  129   2HB   SER  19          2HB       SER  19   2.464   2.084  -5.740
  130    HG   SER  19           HG       SER  19   3.125   2.577  -3.045
  131    H    CYS  20           H        CYS  20  -0.020  -0.540  -2.792
  132    HA   CYS  20           HA       CYS  20   1.323  -0.122  -0.253
  133   1HB   CYS  20          1HB       CYS  20  -1.117  -0.383  -0.418
  134   2HB   CYS  20          2HB       CYS  20  -0.921  -1.994  -0.990
  135    H    GLY  21           H        GLY  21   3.091  -1.049   0.274
  136   1HA   GLY  21          1HA       GLY  21   4.222  -3.404  -0.882
  137   2HA   GLY  21          2HA       GLY  21   4.806  -2.583   0.557
  138    H    ARG  22           H        ARG  22   5.016  -5.145   0.437
  139    HA   ARG  22           HA       ARG  22   2.872  -6.730   1.530
  140   1HB   ARG  22          1HB       ARG  22   4.538  -8.512   1.817
  141   2HB   ARG  22          2HB       ARG  22   4.662  -7.795   0.237
  142   1HG   ARG  22          1HG       ARG  22   6.533  -7.194   2.561
  143   2HG   ARG  22          2HG       ARG  22   6.877  -8.324   1.277
  144   1HD   ARG  22          1HD       ARG  22   6.592  -5.288   0.965
  145   2HD   ARG  22          2HD       ARG  22   8.037  -6.244   0.801
  146    HE   ARG  22           HE       ARG  22   5.936  -5.989  -1.197
  147   1HH1  ARG  22          1HH1      ARG  22   8.551  -7.933  -0.004
  148   2HH1  ARG  22          2HH1      ARG  22   8.812  -8.708  -1.529
  149   1HH2  ARG  22          1HH2      ARG  22   6.253  -6.962  -3.128
  150   2HH2  ARG  22          2HH2      ARG  22   7.494  -8.154  -3.322
  151    H    ARG  23           H        ARG  23   5.080  -4.599   3.002
  152    HA   ARG  23           HA       ARG  23   5.037  -5.880   5.644
  153   1HB   ARG  23          1HB       ARG  23   6.021  -3.770   6.530
  154   2HB   ARG  23          2HB       ARG  23   6.968  -4.356   5.207
  155   1HG   ARG  23          1HG       ARG  23   4.823  -2.205   4.894
  156   2HG   ARG  23          2HG       ARG  23   6.458  -1.808   5.336
  157   1HD   ARG  23          1HD       ARG  23   5.720  -3.144   2.667
  158   2HD   ARG  23          2HD       ARG  23   5.963  -1.443   2.927
  159    HE   ARG  23           HE       ARG  23   8.263  -1.777   3.116
  160   1HH1  ARG  23          1HH1      ARG  23   6.642  -4.838   3.151
  161   2HH1  ARG  23          2HH1      ARG  23   8.110  -5.734   2.975
  162   1HH2  ARG  23          1HH2      ARG  23  10.111  -2.884   2.889
  163   2HH2  ARG  23          2HH2      ARG  23  10.100  -4.614   2.822
  164    H    GLY  24           H        GLY  24   2.777  -4.400   3.821
  165   1HA   GLY  24          1HA       GLY  24   0.562  -3.874   4.377
  166   2HA   GLY  24          2HA       GLY  24   0.988  -3.910   6.085
  167    H    LYS  25           H        LYS  25   3.007  -2.067   3.975
  168    HA   LYS  25           HA       LYS  25   1.690   0.474   4.919
  169   1HB   LYS  25          1HB       LYS  25   4.665   0.088   4.368
  170   2HB   LYS  25          2HB       LYS  25   3.904   1.536   4.947
  171   1HG   LYS  25          1HG       LYS  25   3.916  -1.054   6.542
  172   2HG   LYS  25          2HG       LYS  25   5.010   0.291   6.807
  173   1HD   LYS  25          1HD       LYS  25   3.091   1.780   7.291
  174   2HD   LYS  25          2HD       LYS  25   1.973   0.478   6.966
  175   1HE   LYS  25          1HE       LYS  25   2.948  -0.814   8.864
  176   2HE   LYS  25          2HE       LYS  25   4.046   0.524   9.189
  177   1HZ   LYS  25          1HZ       LYS  25   1.316   1.349   8.975
  178   2HZ   LYS  25          2HZ       LYS  25   1.567   0.223  10.220
  179   3HZ   LYS  25          3HZ       LYS  25   2.460   1.667  10.190
  180    H    CYS  26           H        CYS  26   2.016   2.272   3.550
  181    HA   CYS  26           HA       CYS  26   1.624   1.525   0.741
  182   1HB   CYS  26          1HB       CYS  26   1.485   4.153   2.144
  183   2HB   CYS  26          2HB       CYS  26   1.087   3.919   0.460
  184   1HN   NH2  27          1HT       NH2  27   2.599   2.831  -1.050
  185   2HN   NH2  27          2HT       NH2  27   4.250   3.203  -0.966