*HEADER    TOXIN                                   24-JAN-00   1DW5              
*TITLE     NMR STRUCTURE OF OMEGA-CONOTOXIN MVIIA: NO CONSTRAINTS ON             
*TITLE    2 DISULPHIDE BRIDGES                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OMEGA-CONOTOXIN MVIIA;                                     
*COMPND   3 CHAIN: NULL;                                                         
*COMPND   4 FRAGMENT: OMEGA-CONOTOXIN MVIIA;                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THIS PEPTIDE NATURALLY OCCURS IN CONUS               
*SOURCE   5 MAGUS (MAGUS CONE)                                                   
*KEYWDS    CONOTOXIN, CALCIUM CHANNEL, CONFORMATIONAL EXCHANGE                   
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    R.A.ATKINSON, B.KIEFFER, A.DEJAEGERE, F.SIROCKIN, J.-                 
*AUTHOR   2 F.LEFEVRE                                                            
*REVDAT   1   01-MAR-00 1DW5    0       
!
! 50ms HN - HN
!
assign (resid 2 and name hn)    (resid 16 and name hn)   4.0 4.0 0.0
assign (resid 16 and name hn)   (resid 17 and name hn)   3.7 3.7 0.0
assign (resid 22 and name hn)   (resid 23 and name hn)   3.7 3.7 0.0 
assign (resid 5 and name hn)    (resid 25 and name hn)   4.0 4.0 0.0 
assign (resid 5 and name hn)    (resid 6 and name hn)    3.7 3.7 0.0
assign (resid 10 and name hn)   (resid 11 and name hn)   4.0 4.0 0.0
assign (resid 6 and name hn)    (resid 25 and name hn)   4.0 4.0 0.0
assign (resid 21 and name hn)   (resid 24 and name hn)   3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 15 and name hn)   3.7 3.7 0.0
assign (resid 25 and name h1)   (resid 25 and name h2)   2.7 2.7 0.0 
assign (resid 23 and name hn)   (resid 24 and name hn)   3.7 3.7 0.0
assign (resid 11 and name hn)   (resid 12 and name hn)   3.7 3.7 0.0
assign (resid 13 and name hn)   (resid 14 and name hn)   3.3 3.3 0.0
assign (resid 12 and name hn)   (resid 13 and name hn)   4.0 4.0 0.0
assign (resid 13 and name hn)   (resid 13 and name hd*)  4.0 4.0 2.0
assign (resid 13 and name hd*)  (resid 13 and name he*)  2.7 2.7 2.0
assign (resid 15 and name hn)   (resid 16 and name hn)   4.7 4.7 0.0
assign (resid 21 and name hn)   (resid 23 and name hn)   4.7 4.7 0.0
!
! 100ms HN - HN
!
assign (resid 2 and name hn)    (resid 3 and name hn)    4.7 4.7 0.0
assign (resid 4 and name hn)    (resid 5 and name hn)    4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 25 and name h1)   4.7 4.7 0.0
assign (resid 8 and name hn)    (resid 9 and name hn)    4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 16 and name hn)   4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 4 and name hn)    4.7 4.7 0.0
assign (resid 7 and name hn)    (resid 25 and name hn)   4.7 4.7 0.0
assign (resid 8 and name hn)    (resid 25 and name hn)   4.7 4.7 0.0
assign (resid 24 and name hn)   (resid 25 and name hn)   4.7 4.7 0.0
assign (resid 19 and name hn)   (resid 20 and name hn)   4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 25 and name h2)   4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 7 and name hn)    4.7 4.7 0.0
assign (resid 6 and name hn)    (resid 7 and name hn)    4.7 4.7 0.0
assign (resid 4 and name hn)    (resid 6 and name hn)    4.7 4.7 0.0
assign (resid 8 and name hn)    (resid 24 and name hn)   4.7 4.7 0.0
assign (resid 14 and name hn)   (resid 13 and name hd*)  4.7 4.7 2.0
assign (resid 15 and name hn)   (resid 13 and name hd*)  4.7 4.7 2.0
!
! 50ms + 100ms HN - HA 
!
assign (resid 16 and name hn)   (resid 15 and name ha)   3.0 3.0 0.0 
assign (resid 16 and name hn)   (resid 16 and name ha)   3.7 3.7 0.0
assign (resid 16 and name hn)   (resid 16 and name hb1)  4.0 4.0 0.0
assign (resid 16 and name hn)   (resid 15 and name hb1)  3.3 3.3 0.0   
assign (resid 16 and name hn)   (resid 16 and name hb2)  3.3 3.3 0.7
assign (resid 16 and name hn)   (resid 15 and name hb2)  4.7 4.7 0.0   
assign (resid 16 and name hn)   (resid 1 and name ha)    4.7 4.7 0.0 
assign (resid 16 and name hn)   (resid 2 and name ha)    4.7 4.7 0.0 
assign (resid 16 and name hn)   (resid 3 and name ha2)   4.7 4.7 0.0  
assign (resid 22 and name hn)   (resid 21 and name ha)   3.0 3.0 0.0 
assign (resid 22 and name hn)   (resid 22 and name hb1)  4.0 4.0 0.0
assign (resid 22 and name hn)   (resid 22 and name ha)   3.0 3.0 0.0
assign (resid 22 and name hn)   (resid 22 and name hb2)  4.0 4.0 0.0
assign (resid 2 and name hn)    (resid 15 and name ha)   3.7 3.7 0.0
assign (resid 2 and name hn)    (resid 1 and name ha)    3.0 3.0 0.0
assign (resid 2 and name hn)    (resid 2 and name ha)    3.7 3.7 0.0
assign (resid 2 and name hn)    (resid 1 and name hb1)   4.0 4.0 0.0  
assign (resid 2 and name hn)    (resid 1 and name hb2)   3.3 3.3 0.0  
assign (resid 2 and name hn)    (resid 14 and name hb*)  4.7 4.7 1.0  
assign (resid 2 and name hn)    (resid 14 and name ha)   4.7 4.7 0.0
assign (resid 2 and name hn)    (resid 16 and name ha)   4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 5 and name ha1)   3.7 3.7 0.0
assign (resid 5 and name hn)    (resid 4 and name ha)    3.0 3.0 0.0
assign (resid 5 and name hn)    (resid 5 and name ha2)   3.0 3.0 0.7
assign (resid 5 and name hn)    (resid 25 and name hb1)  4.0 4.0 0.0  
assign (resid 5 and name hn)    (resid 25 and name hb2)  3.7 3.7 0.0  
assign (resid 9 and name hn)    (resid 8 and name ha)    3.3 3.3 0.0
assign (resid 9 and name hn)    (resid 9 and name ha)    3.7 3.7 0.0
assign (resid 9 and name hn)    (resid 9 and name hb1)   4.0 4.0 0.0
assign (resid 9 and name hn)    (resid 9 and name hb2)   3.7 3.7 0.3
assign (resid 9 and name hn)    (resid 8 and name hb2)   3.3 3.3 0.0  
assign (resid 9 and name hn)    (resid 8 and name hb1)   4.0 4.0 0.0  
assign (resid 3 and name hn)    (resid 2 and name ha)    3.0 3.0 0.0
assign (resid 3 and name hn)    (resid 3 and name ha2)   3.3 3.3 0.0  
assign (resid 3 and name hn)    (resid 3 and name ha1)   3.0 3.0 0.0  
assign (resid 10 and name hn)   (resid 9 and name ha)    3.3 3.3 0.0
assign (resid 10 and name hn)   (resid 10 and name ha)   4.0 4.0 0.0
assign (resid 10 and name hn)   (resid 9 and name hb1)   4.0 4.0 0.0
assign (resid 10 and name hn)   (resid 9 and name hb2)   4.0 4.0 0.0
assign (resid 25 and name hn)   (resid 24 and name ha)   3.0 3.0 0.0
assign (resid 25 and name hn)   (resid 25 and name ha)   3.7 3.7 0.0 
assign (resid 25 and name hn)   (resid 7 and name ha)    4.0 4.0 0.0  
assign (resid 25 and name hn)   (resid 25 and name hb1)  4.0 4.0 0.0  
assign (resid 25 and name hn)   (resid 25 and name hb2)  3.3 3.3 0.0  
assign (resid 25 and name hn)   (resid 8 and name hb1)   4.0 4.0 0.0  
assign (resid 25 and name hn)   (resid 6 and name ha)    4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 4 and name ha)    4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 5 and name ha*)   4.7 4.7 1.0  
assign (resid 20 and name hn)   (resid 19 and name ha)   3.0 3.0 0.0 
assign (resid 20 and name hn)   (resid 20 and name ha)   4.0 4.0 0.0
assign (resid 20 and name hn)   (resid 19 and name hb1)  4.0 4.0 0.0
assign (resid 20 and name hn)   (resid 19 and name hb2)  3.7 3.7 0.3
assign (resid 20 and name hn)   (resid 20 and name hb1)  3.7 3.7 0.0  
assign (resid 20 and name hn)   (resid 20 and name hb2)  3.3 3.3 0.0  
assign (resid 20 and name hn)   (resid 25 and name ha)   4.7 4.7 0.0
assign (resid 20 and name hn)   (resid 11 and name ha)   4.7 4.7 0.0
assign (resid 21 and name hn)   (resid 25 and name ha)   4.0 4.0 0.0
assign (resid 21 and name hn)   (resid 20 and name ha)   3.0 3.0 0.3
assign (resid 21 and name hn)   (resid 21 and name ha)   3.0 3.0 0.3
assign (resid 21 and name hn)   (resid 21 and name hd*)  4.7 4.7 1.0
assign (resid 21 and name hn)   (resid 20 and name hb1)  4.7 4.7 0.0  
assign (resid 21 and name hn)   (resid 20 and name hb2)  4.7 4.7 0.0  
assign (resid 15 and name hn)   (resid 15 and name ha)   4.0 4.0 0.0
assign (resid 15 and name hn)   (resid 14 and name ha)   4.0 4.0 0.0
assign (resid 15 and name hn)   (resid 13 and name ha)   4.0 4.0 0.0
assign (resid 15 and name hn)   (resid 15 and name hb1)  4.0 4.0 0.0  
assign (resid 15 and name hn)   (resid 15 and name hb2)  3.3 3.3 0.0  
assign (resid 15 and name hn)   (resid 14 and name hb1)  4.0 4.0 0.7
assign (resid 15 and name hn)   (resid 14 and name hb2)  4.7 4.7 0.0
assign (resid 18 and name hn)   (resid 17 and name ha)   3.3 3.3 0.0
assign (resid 18 and name hn)   (resid 18 and name ha1)  3.3 3.3 0.0
assign (resid 18 and name hn)   (resid 18 and name ha2)  3.0 3.0 0.3
assign (resid 25 and name h1)   (resid 25 and name ha)   3.0 3.0 0.0
assign (resid 25 and name h1)   (resid 20 and name ha)   4.0 4.0 0.0
assign (resid 25 and name h1)   (resid 25 and name hb1)  4.0 4.0 0.0  
assign (resid 25 and name h1)   (resid 25 and name hb2)  4.0 4.0 0.0  
assign (resid 25 and name h1)   (resid 15 and name ha)   4.7 4.7 0.0
assign (resid 25 and name h1)   (resid 15 and name hb2)  4.7 4.7 0.0  
assign (resid 23 and name hn)   (resid 21 and name ha)   4.0 4.0 0.0
assign (resid 23 and name hn)   (resid 23 and name ha1)  3.7 3.7 0.0
assign (resid 23 and name hn)   (resid 22 and name ha)   3.7 3.7 0.0
assign (resid 23 and name hn)   (resid 23 and name ha2)  3.0 3.0 0.7
assign (resid 23 and name hn)   (resid 22 and name hb*)  4.7 4.7 1.0  
assign (resid 17 and name hn)   (resid 17 and name ha)   3.7 3.7 0.0
assign (resid 17 and name hn)   (resid 16 and name ha)   4.0 4.0 0.0
assign (resid 17 and name hn)   (resid 17 and name hb)   3.7 3.7 0.3  
assign (resid 17 and name hn)   (resid 16 and name hb1)  4.0 4.0 0.0
assign (resid 17 and name hn)   (resid 15 and name hb1)  3.7 3.7 0.0  
assign (resid 17 and name hn)   (resid 16 and name hb2)  3.7 3.7 0.3
assign (resid 17 and name hn)   (resid 15 and name hb2)  4.0 4.0 0.0  
assign (resid 17 and name hn)   (resid 15 and name ha)   4.7 4.7 0.0
assign (resid 19 and name hn)   (resid 19 and name ha)   3.7 3.7 0.0
assign (resid 19 and name hn)   (resid 18 and name ha1)  3.0 3.0 1.0
assign (resid 19 and name hn)   (resid 18 and name ha2)  3.7 3.7 0.3  
assign (resid 19 and name hn)   (resid 19 and name hb1)  3.7 3.7 0.3  
assign (resid 19 and name hn)   (resid 19 and name hb2)  3.7 3.7 0.3  
assign (resid 7 and name hn)    (resid 7 and name ha)    3.7 3.7 0.0
assign (resid 7 and name hn)    (resid 6 and name ha)    3.0 3.0 0.0
assign (resid 7 and name hn)    (resid 24 and name ha)   4.7 4.7 0.0
assign (resid 4 and name hn)    (resid 3 and name ha2)   3.3 3.3 0.0  
assign (resid 4 and name hn)    (resid 3 and name ha1)   3.3 3.3 0.0  
assign (resid 4 and name hn)    (resid 4 and name ha)    3.3 3.3 0.4
assign (resid 4 and name hn)    (resid 25 and name hb1)  4.7 4.7 0.0  
assign (resid 8 and name hn)    (resid 24 and name ha)   3.7 3.7 0.0
assign (resid 8 and name hn)    (resid 8 and name ha)    4.0 4.0 0.0
assign (resid 8 and name hn)    (resid 7 and name ha)    2.7 2.7 0.0
assign (resid 8 and name hn)    (resid 8 and name hb2)   4.0 4.0 0.0  
assign (resid 8 and name hn)    (resid 8 and name hb1)   4.0 4.0 0.0  
assign (resid 8 and name hn)    (resid 23 and name ha1)  4.7 4.7 0.0
assign (resid 8 and name hn)    (resid 23 and name ha2)  4.0 4.0 0.7
assign (resid 11 and name hn)   (resid 11 and name ha)   3.7 3.7 0.0
assign (resid 11 and name hn)   (resid 9 and name hb*)   4.7 4.7 1.0  
assign (resid 14 and name hn)   (resid 14 and name ha)   3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 13 and name ha)   3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 14 and name hb1)  3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 14 and name hb2)  3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 13 and name hb1)  4.7 4.7 0.0  
assign (resid 14 and name hn)   (resid 15 and name hb1)  4.7 4.7 1.0  
assign (resid 13 and name hn)   (resid 13 and name ha)   3.3 3.3 0.0 
assign (resid 13 and name hn)   (resid 12 and name ha)   3.7 3.7 0.0
assign (resid 13 and name hn)   (resid 13 and name hb1)  4.7 4.7 0.0  
assign (resid 13 and name hn)   (resid 13 and name hb2)  4.0 4.0 0.0  
assign (resid 13 and name hn)   (resid 11 and name ha)   4.7 4.7 0.0
assign (resid 6 and name hn)    (resid 5 and name ha1)   3.3 3.3 0.7
assign (resid 6 and name hn)    (resid 6 and name ha)    3.7 3.7 0.0
assign (resid 6 and name hn)    (resid 4 and name ha)    4.0 4.0 0.0
assign (resid 6 and name hn)    (resid 5 and name ha2)   4.0 4.0 0.0
assign (resid 6 and name hn)    (resid 25 and name hb1)  4.0 4.0 0.0  
assign (resid 6 and name hn)    (resid 25 and name hb2)  3.7 3.7 0.0  
assign (resid 24 and name hn)   (resid 24 and name ha)   3.3 3.3 0.4
assign (resid 24 and name hn)   (resid 23 and name ha1)  4.0 4.0 0.0
assign (resid 24 and name hn)   (resid 23 and name ha2)  4.0 4.0 0.0
assign (resid 24 and name hn)   (resid 22 and name hb*)  4.7 4.7 1.0  
assign (resid 12 and name hn)   (resid 12 and name ha)   4.0 4.0 0.0
assign (resid 12 and name hn)   (resid 11 and name ha)   4.0 4.0 0.0
assign (resid 12 and name hn)   (resid 12 and name hg*)  4.7 4.7 1.0  
assign (resid 25 and name h2)   (resid 25 and name ha)   4.0 4.0 0.0
assign (resid 25 and name h2)   (resid 25 and name hb1)  4.0 4.0 0.0  
assign (resid 25 and name h2)   (resid 25 and name hb2)  4.7 4.7 0.0  
assign (resid 25 and name h2)   (resid 4 and name ha)    4.7 4.7 0.0
assign (resid 10 and name he)   (resid 10 and name hd1)  4.0 4.0 0.0
assign (resid 10 and name he)   (resid 10 and name hd2)  3.7 3.7 0.3
assign (resid 21 and name he)   (resid 21 and name hd*)  4.0 4.0 0.6
assign (resid 13 and name hd*)  (resid 13 and name ha)   3.3 3.3 1.0
assign (resid 13 and name hd*)  (resid 11 and name ha)   4.0 4.0 2.0
assign (resid 13 and name hd*)  (resid 13 and name hb1)  3.3 3.3 0.6  
assign (resid 13 and name hd*)  (resid 13 and name hb2)  3.3 3.3 0.6  
assign (resid 13 and name he*)  (resid 11 and name ha)   3.0 3.0 2.0
assign (resid 13 and name he*)  (resid 13 and name hb1)  4.0 4.0 0.6  
assign (resid 13 and name he*)  (resid 13 and name hb2)  4.0 4.0 0.6  
!
! HN-HB, HG, HD
!
assign (resid 16 and name hn)   (resid 2 and name hb2)   4.0 4.0 0.0  
assign (resid 16 and name hn)   (resid 2 and name hb1)   4.7 4.7 0.0  
assign (resid 22 and name hn)   (resid 21 and name hb1)  4.0 4.0 0.3  
assign (resid 22 and name hn)   (resid 21 and name hb2)  4.0 4.0 0.3  
assign (resid 22 and name hn)   (resid 21 and name hg1)  4.7 4.7 0.0
assign (resid 22 and name hn)   (resid 21 and name hg2)  4.7 4.7 0.0
assign (resid 2 and name hn)    (resid 2 and name hb2)   3.3 3.3 0.0  
assign (resid 2 and name hn)    (resid 2 and name hb1)   3.7 3.7 0.0  
assign (resid 2 and name hn)    (resid 2 and name hg1)   3.7 3.7 0.3
assign (resid 2 and name hn)    (resid 2 and name hg2)   4.0 4.0 0.0
assign (resid 2 and name hn)    (resid 2 and name hd*)   4.7 4.7 1.0
assign (resid 5 and name hn)    (resid 4 and name hb1)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 4 and name hb2)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 4 and name hg1)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 4 and name hg2)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 6 and name hb*)   4.7 4.7 1.0
assign (resid 9 and name hn)    (resid 12 and name hb*)  4.7 4.7 1.0
assign (resid 3 and name hn)    (resid 2 and name hb2)   4.0 4.0 0.0  
assign (resid 3 and name hn)    (resid 2 and name hb1)   3.7 3.7 0.0  
assign (resid 3 and name hn)    (resid 2 and name hg1)   4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 2 and name hg2)   4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 6 and name hb*)   3.7 3.7 1.0
assign (resid 10 and name hn)   (resid 10 and name hb*)  3.3 3.3 0.6
assign (resid 10 and name hn)   (resid 10 and name hg*)  4.0 4.0 1.0
assign (resid 25 and name hn)   (resid 24 and name hb2)  4.0 4.0 0.0  
assign (resid 25 and name hn)   (resid 24 and name hb1)  3.7 3.7 0.0  
assign (resid 25 and name hn)   (resid 24 and name hg1)  4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 24 and name hg2)  4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 6 and name hb*)   4.0 4.0 1.0
assign (resid 21 and name hn)   (resid 21 and name hb1)  3.7 3.7 0.0
assign (resid 21 and name hn)   (resid 21 and name hb2)  3.7 3.7 0.0
assign (resid 21 and name hn)   (resid 21 and name hg1)  4.0 4.0 0.7
assign (resid 21 and name hn)   (resid 21 and name hg2)  4.7 4.7 0.0
assign (resid 18 and name hn)   (resid 17 and name hg2*) 4.0 4.0 1.0
assign (resid 17 and name hn)   (resid 17 and name hg2*) 4.0 4.0 1.0
assign (resid 7 and name hn)    (resid 7 and name hb*)   3.0 3.0 0.6
assign (resid 7 and name hn)    (resid 7 and name hg1)   3.7 3.7 0.3  
assign (resid 7 and name hn)    (resid 6 and name hb*)   3.7 3.7 1.3  
assign (resid 7 and name hn)    (resid 7 and name hg2)   3.7 3.7 0.0  
assign (resid 4 and name hn)    (resid 4 and name hb1)   3.3 3.3 0.0
assign (resid 4 and name hn)    (resid 4 and name hb2)   3.3 3.3 0.0
assign (resid 4 and name hn)    (resid 4 and name hg1)   4.0 4.0 0.0
assign (resid 4 and name hn)    (resid 4 and name hg2)   4.0 4.0 0.0
assign (resid 8 and name hn)    (resid 7 and name hb*)   4.0 4.0 1.0
assign (resid 8 and name hn)    (resid 7 and name hg1)   4.0 4.0 0.0
assign (resid 8 and name hn)    (resid 7 and name hg2)   4.0 4.0 0.0
assign (resid 11 and name hn)   (resid 10 and name hb*)  3.7 3.7 1.0
assign (resid 11 and name hn)   (resid 11 and name hb*)  3.3 3.3 1.0  
assign (resid 11 and name hn)   (resid 11 and name hg)   3.7 3.7 0.4  
assign (resid 11 and name hn)   (resid 11 and name hd*)  4.0 4.0 1.7
assign (resid 14 and name hn)   (resid 12 and name hb*)  4.0 4.0 1.0
assign (resid 13 and name hn)   (resid 12 and name hb*)  4.0 4.0 1.0
assign (resid 6 and name hn)    (resid 6 and name hb*)   3.3 3.3 0.6
assign (resid 24 and name hn)   (resid 24 and name hb2)  3.7 3.7 0.0  
assign (resid 24 and name hn)   (resid 24 and name hb1)  4.0 4.0 0.0  
assign (resid 24 and name hn)   (resid 24 and name hg1)  4.0 4.0 0.0
assign (resid 24 and name hn)   (resid 24 and name hg2)  4.0 4.0 0.0
assign (resid 12 and name hn)   (resid 12 and name hb*)  3.7 3.7 0.6
assign (resid 10 and name he)   (resid 10 and name hb*)  4.0 4.0 1.0
assign (resid 10 and name he)   (resid 10 and name hg*)  4.0 4.0 0.6
assign (resid 21 and name he)   (resid 21 and name hb*)  4.7 4.7 1.0
assign (resid 21 and name he)   (resid 21 and name hg1)  4.7 4.7 0.0
assign (resid 21 and name he)   (resid 21 and name hg2)  4.7 4.7 0.0
assign (resid 13 and name he*)  (resid 11 and name hd*)  4.0 4.0 4.4
!
!  HA-HB, etc
!
assign (resid 24 and name ha)   (resid 24 and name hb2)  3.7 3.7 0.0  
assign (resid 24 and name ha)   (resid 24 and name hb1)  3.3 3.3 0.0  
assign (resid 24 and name ha)   (resid 24 and name hg1)  4.0 4.0 0.0
assign (resid 24 and name ha)   (resid 24 and name hg2)  4.0 4.0 0.0
assign (resid 24 and name ha)   (resid 24 and name hd*)  4.7 4.7 0.6
assign (resid 24 and name ha)   (resid 7 and name ha)    3.7 3.7 0.0
assign (resid 24 and name ha)   (resid 25 and name hb2)  4.7 4.7 1.0  
assign (resid 24 and name ha)   (resid 8 and name hb1)   4.7 4.7 0.0  
assign (resid 8 and name ha)    (resid 8 and name hb2)   3.7 3.7 0.0  
assign (resid 8 and name ha)    (resid 8 and name hb1)   3.3 3.3 0.0  
assign (resid 8 and name ha)    (resid 9 and name hb*)   4.7 4.7 1.0  
assign (resid 15 and name ha)   (resid 15 and name hb1)  3.0 3.0 0.0  
assign (resid 15 and name ha)   (resid 15 and name hb2)  3.7 3.7 0.0  
assign (resid 15 and name ha)   (resid 2 and name hb2)   3.3 3.3 0.0  
assign (resid 15 and name ha)   (resid 2 and name hb1)   3.7 3.7 0.0  
assign (resid 15 and name ha)   (resid 16 and name hb1)  4.7 4.7 0.0
assign (resid 15 and name ha)   (resid 16 and name hb2)  4.7 4.7 0.0
assign (resid 25 and name ha)   (resid 25 and name hb1)  3.3 3.3 0.0  
assign (resid 25 and name ha)   (resid 25 and name hb2)  3.7 3.7 0.0  
assign (resid 25 and name ha)   (resid 20 and name ha)   3.7 3.7 0.0
assign (resid 14 and name ha)   (resid 14 and name hb1)  3.3 3.3 0.0
assign (resid 14 and name ha)   (resid 14 and name hb2)  3.3 3.3 0.0
assign (resid 19 and name ha)   (resid 19 and name hb1)  3.3 3.3 0.4
assign (resid 19 and name ha)   (resid 19 and name hb2)  3.7 3.7 0.0
assign (resid 19 and name ha)   (resid 15 and name hb1)  4.7 4.7 0.0  
assign (resid 19 and name ha)   (resid 15 and name hb2)  4.7 4.7 0.0  
assign (resid 9 and name ha)    (resid 9 and name hb1)   3.3 3.3 0.4
assign (resid 9 and name ha)    (resid 9 and name hb2)   3.7 3.7 0.0
assign (resid 20 and name ha)   (resid 20 and name hb1)  3.3 3.3 0.0  
assign (resid 20 and name ha)   (resid 20 and name hb2)  3.7 3.7 0.0  
assign (resid 20 and name ha)   (resid 8 and name hb2)   4.7 4.7 0.0  
assign (resid 7 and name ha)    (resid 7 and name hg*)   4.0 4.0 0.6
assign (resid 7 and name ha)    (resid 24 and name hb*)  4.7 4.7 1.0
assign (resid 7 and name ha)    (resid 24 and name hg1)  4.7 4.7 0.0
assign (resid 7 and name ha)    (resid 24 and name hg2)  4.7 4.7 0.0
assign (resid 21 and name ha)   (resid 21 and name hb*)  3.3 3.3 0.6
assign (resid 21 and name ha)   (resid 21 and name hg1)  3.7 3.7 0.0
assign (resid 21 and name ha)   (resid 21 and name hg2)  3.7 3.7 0.0
assign (resid 21 and name ha)   (resid 21 and name hd*)  4.0 4.0 1.0
assign (resid 21 and name ha)   (resid 22 and name ha)   4.7 4.7 0.0
assign (resid 1 and name ha)    (resid 1 and name hb1)   3.3 3.3 0.0  
assign (resid 1 and name ha)    (resid 1 and name hb2)   3.0 3.0 0.0  
assign (resid 1 and name ha)    (resid 14 and name hb*)  3.7 3.7 1.0  
assign (resid 17 and name ha)   (resid 17 and name hb)   3.7 3.7 0.0
assign (resid 17 and name ha)   (resid 17 and name hg2*) 3.7 3.7 0.6
assign (resid 2 and name ha)    (resid 2 and name he*)   4.0 4.0 1.0
assign (resid 2 and name ha)    (resid 2 and name hb2)   3.7 3.7 0.0  
assign (resid 2 and name ha)    (resid 2 and name hb1)   3.3 3.3 0.0  
assign (resid 2 and name ha)    (resid 2 and name hd1)   3.7 3.7 0.0
assign (resid 2 and name ha)    (resid 2 and name hd2)   3.3 3.3 0.4
assign (resid 2 and name ha)    (resid 2 and name hg1)   3.7 3.7 0.0
assign (resid 2 and name ha)    (resid 2 and name hg2)   3.7 3.7 0.0
assign (resid 2 and name ha)    (resid 6 and name hb*)   4.0 4.0 1.0
assign (resid 2 and name ha)    (resid 1 and name hb2)   4.7 4.7 0.0  
assign (resid 13 and name ha)   (resid 13 and name hb1)  3.3 3.3 0.0  
assign (resid 13 and name ha)   (resid 13 and name hb2)  3.3 3.3 0.0  
assign (resid 12 and name ha)   (resid 12 and name hg1)  3.0 3.0 0.7
assign (resid 12 and name ha)   (resid 12 and name hg2)  3.7 3.7 0.0
assign (resid 12 and name ha)   (resid 12 and name hb*)  3.3 3.3 0.6
assign (resid 16 and name ha)   (resid 16 and name hb1)  3.0 3.0 0.3
assign (resid 16 and name ha)   (resid 1 and name hb1)   3.3 3.3 0.0  
assign (resid 16 and name ha)   (resid 16 and name hb2)  3.3 3.3 0.0
assign (resid 5 and name ha1)   (resid 5 and name ha2)   2.7 2.7 0.0
assign (resid 5 and name ha*)   (resid 6 and name hb*)   3.7 3.7 2.0  
assign (resid 6 and name ha)    (resid 6 and name hb*)   3.0 3.0 0.6
assign (resid 6 and name ha)    (resid 7 and name hb*)   4.7 4.7 1.0
assign (resid 18 and name ha1)  (resid 18 and name ha2)  2.7 2.7 0.3
assign (resid 23 and name ha1)  (resid 23 and name ha2)  2.7 2.7 0.3
assign (resid 22 and name hb1)  (resid 22 and name hb2)  3.0 3.0 0.0
assign (resid 17 and name hb)   (resid 17 and name hg2*) 3.3 3.3 0.6
assign (resid 22 and name ha)   (resid 22 and name hb1)  4.7 4.7 0.0
assign (resid 22 and name ha)   (resid 22 and name hb2)  3.0 3.0 1.7
assign (resid 3 and name ha1)   (resid 3 and name ha2)   2.7 2.7 0.0
assign (resid 3 and name ha2)   (resid 16 and name hb1)  4.7 4.7 0.0  
assign (resid 3 and name ha2)   (resid 16 and name hb2)  4.7 4.7 0.0  
assign (resid 11 and name ha)   (resid 11 and name hb*)  3.0 3.0 0.6
assign (resid 11 and name ha)   (resid 11 and name hd1*) 4.0 4.0 0.0
assign (resid 11 and name ha)   (resid 11 and name hd2*) 3.3 3.3 0.7
assign (resid 11 and name ha)   (resid 11 and name hg)   4.7 4.7 0.0
assign (resid 10 and name ha)   (resid 20 and name hb1)  3.7 3.7 0.0  
assign (resid 10 and name ha)   (resid 20 and name hb2)  3.3 3.3 0.0  
assign (resid 10 and name ha)   (resid 10 and name hb*)  3.3 3.3 0.6
assign (resid 9 and name hb1)   (resid 9 and name hb2)   2.7 2.7 0.0
assign (resid 9 and name hb1)   (resid 12 and name hb*)  4.7 4.7 1.0
assign (resid 9 and name hb1)   (resid 12 and name hg1)  4.7 4.7 0.0
assign (resid 9 and name hb1)   (resid 12 and name hg2)  4.7 4.7 0.0
assign (resid 9 and name hb2)   (resid 12 and name hb*)  4.7 4.7 1.0
assign (resid 9 and name hb2)   (resid 12 and name hg1)  4.0 3.0 0.7
assign (resid 9 and name hb2)   (resid 12 and name hg2)  4.0 3.0 0.7
assign (resid 19 and name hb1)  (resid 19 and name hb2)  4.7 4.7 0.0
assign (resid 4 and name ha)    (resid 25 and name hb1)  3.7 3.7 0.0  
assign (resid 4 and name ha)    (resid 25 and name hb2)  3.3 3.3 0.0  
assign (resid 4 and name ha)    (resid 4 and name hb1)   3.3 3.3 0.4
assign (resid 4 and name ha)    (resid 4 and name hb2)   3.7 3.7 0.0
assign (resid 4 and name ha)    (resid 4 and name hg1)   3.7 3.7 0.0
assign (resid 4 and name ha)    (resid 4 and name hg2)   3.7 3.7 0.0
assign (resid 4 and name ha)    (resid 5 and name ha*)   4.7 4.7 1.0  
assign (resid 1 and name hb1)   (resid 1 and name hb2)   2.7 2.7 0.3
assign (resid 25 and name hb1)  (resid 25 and name hb2)  2.7 2.7 0.3
assign (resid 25 and name hb1)  (resid 15 and name hb2)  4.7 4.7 1.0  
assign (resid 13 and name hb1)  (resid 13 and name hb2)  2.7 2.7 0.0
assign (resid 8 and name hb1)   (resid 8 and name hb2)   2.7 2.7 0.0
assign (resid 8 and name hb2)   (resid 14 and name hb*)  4.7 4.7 1.0  
assign (resid 8 and name hb1)   (resid 14 and name hb*)  4.7 4.7 1.0  
assign (resid 16 and name hb1)  (resid 16 and name hb2)  2.7 2.7 0.0
assign (resid 2 and name he1)   (resid 2 and name he2)   2.7 2.7 0.0
assign (resid 2 and name he1)   (resid 2 and name hg1)   4.7 4.7 0.0
assign (resid 2 and name he1)   (resid 2 and name hg2)   4.7 4.7 0.0
assign (resid 2 and name he2)   (resid 2 and name hg1)   3.7 3.0 1.0
assign (resid 2 and name he2)   (resid 2 and name hg2)   3.7 3.0 1.0
assign (resid 20 and name hb1)  (resid 20 and name hb2)  2.7 2.7 0.0
assign (resid 15 and name hb1)  (resid 15 and name hb2)  2.7 2.7 0.0
assign (resid 14 and name hb1)  (resid 14 and name hb2)  2.7 2.7 0.0
assign (resid 10 and name hd*)  (resid 10 and name hb*)  3.7 3.7 1.2
assign (resid 10 and name hd*)  (resid 10 and name hg*)  3.3 3.3 1.2
assign (resid 21 and name hd*)  (resid 21 and name hb1)  3.7 3.7 0.6
assign (resid 21 and name hd*)  (resid 21 and name hb2)  3.7 3.7 0.6
assign (resid 21 and name hd*)  (resid 21 and name hg1)  3.3 3.3 0.6
assign (resid 21 and name hd*)  (resid 21 and name hg2)  3.3 3.3 0.6
assign (resid 2 and name he*)   (resid 2 and name hd1)   3.3 3.3 1.0
assign (resid 2 and name he*)   (resid 2 and name hd2)   3.7 3.7 0.6
assign (resid 7 and name he*)   (resid 7 and name hg*)   3.3 3.3 1.2
assign (resid 12 and name hg1)  (resid 12 and name hg2)  2.7 2.7 0.0
assign (resid 12 and name hg1)  (resid 12 and name hb*)  3.3 3.3 0.6
assign (resid 12 and name hg2)  (resid 12 and name hb*)  3.3 3.3 0.6
assign (resid 11 and name hb*)  (resid 11 and name hd1*) 3.0 3.0 2.5
assign (resid 11 and name hb*)  (resid 11 and name hd2*) 3.3 3.3 2.2
assign (resid 24 and name hg2)  (resid 24 and name hg1)  2.7 2.7 0.0
assign (resid 24 and name hg*)  (resid 24 and name hb2)  4.0 4.0 1.0  
assign (resid 24 and name hg*)  (resid 24 and name hb1)  3.0 3.0 1.0  
assign (resid 24 and name hg*)  (resid 24 and name hd*)  3.3 3.3 1.2
assign (resid 7 and name hg1)   (resid 7 and name hg2)   2.7 2.7 0.0
                                         

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   2H    CYS   1           HT2      CYS   1  10.440   2.767  -6.974
    2   3H    CYS   1           HT3      CYS   1  11.616   3.080  -5.789
    3    HA   CYS   1           HA       CYS   1   9.410   1.850  -5.172
    4   1HB   CYS   1           HB2      CYS   1   9.553   3.130  -2.912
    5   2HB   CYS   1           HB1      CYS   1  10.970   2.232  -3.451
    6    H    LYS   2           HN       LYS   2   7.373   2.485  -4.033
    7    HA   LYS   2           HA       LYS   2   6.108   4.748  -5.472
    8   1HB   LYS   2           HB2      LYS   2   5.028   2.386  -3.929
    9   2HB   LYS   2           HB1      LYS   2   3.995   3.712  -4.462
   10   1HG   LYS   2           HG2      LYS   2   3.985   1.885  -6.113
   11   2HG   LYS   2           HG1      LYS   2   4.722   3.335  -6.794
   12   1HD   LYS   2           HD2      LYS   2   6.801   2.391  -6.900
   13   2HD   LYS   2           HD1      LYS   2   6.573   1.480  -5.407
   14   1HE   LYS   2           HE2      LYS   2   6.344  -0.322  -6.765
   15   2HE   LYS   2           HE1      LYS   2   4.726   0.308  -7.075
   16   1HZ   LYS   2           HZ1      LYS   2   6.061   1.751  -8.804
   17   2HZ   LYS   2           HZ2      LYS   2   5.501   0.195  -9.189
   18   3HZ   LYS   2           HZ3      LYS   2   7.123   0.431  -8.743
   19    H    GLY   3           HN       GLY   3   4.601   6.144  -4.223
   20   1HA   GLY   3           HA2      GLY   3   5.718   6.719  -1.512
   21   2HA   GLY   3           HA1      GLY   3   4.943   7.917  -2.552
   22    H    LYS   4           HN       LYS   4   4.082   7.465   0.118
   23    HA   LYS   4           HA       LYS   4   2.043   5.674   0.614
   24   1HB   LYS   4           HB2      LYS   4   2.895   7.995   1.812
   25   2HB   LYS   4           HB1      LYS   4   1.257   8.415   1.319
   26   1HG   LYS   4           HG2      LYS   4   1.219   5.759   2.369
   27   2HG   LYS   4           HG1      LYS   4   2.067   6.791   3.519
   28   1HD   LYS   4           HD2      LYS   4  -0.120   8.321   2.656
   29   2HD   LYS   4           HD1      LYS   4  -0.766   6.697   2.892
   30   1HE   LYS   4           HE2      LYS   4  -0.441   6.755   5.148
   31   2HE   LYS   4           HE1      LYS   4   1.080   7.637   5.006
   32   1HZ   LYS   4           HZ1      LYS   4  -1.628   8.805   4.656
   33   2HZ   LYS   4           HZ2      LYS   4  -0.157   9.650   4.546
   34   3HZ   LYS   4           HZ3      LYS   4  -0.650   8.984   6.030
   35    H    GLY   5           HN       GLY   5  -0.302   5.867   0.414
   36   1HA   GLY   5           HA2      GLY   5  -2.236   6.083  -0.896
   37   2HA   GLY   5           HA1      GLY   5  -1.650   7.700  -1.280
   38    H    ALA   6           HN       ALA   6   0.588   5.273  -2.126
   39    HA   ALA   6           HA       ALA   6   0.167   5.808  -4.961
   40   1HB   ALA   6           HB1      ALA   6   2.105   4.171  -5.200
   41   2HB   ALA   6           HB2      ALA   6   2.128   4.087  -3.439
   42   3HB   ALA   6           HB3      ALA   6   2.442   5.620  -4.252
   43    H    LYS   7           HN       LYS   7  -1.746   4.089  -3.199
   44    HA   LYS   7           HA       LYS   7  -3.094   2.232  -3.505
   45   1HB   LYS   7           HB2      LYS   7  -2.707   3.455  -6.014
   46   2HB   LYS   7           HB1      LYS   7  -2.560   1.714  -6.284
   47   1HG   LYS   7           HG2      LYS   7  -4.642   1.829  -4.525
   48   2HG   LYS   7           HG1      LYS   7  -4.900   3.289  -5.459
   49   1HD   LYS   7           HD2      LYS   7  -4.504   0.532  -6.652
   50   2HD   LYS   7           HD1      LYS   7  -6.060   1.344  -6.481
   51   1HE   LYS   7           HE2      LYS   7  -4.003   2.985  -7.799
   52   2HE   LYS   7           HE1      LYS   7  -4.435   1.529  -8.694
   53   1HZ   LYS   7           HZ1      LYS   7  -5.848   3.448  -9.236
   54   2HZ   LYS   7           HZ2      LYS   7  -6.388   3.494  -7.626
   55   3HZ   LYS   7           HZ3      LYS   7  -6.736   2.149  -8.603
   56    H    CYS   8           HN       CYS   8  -3.046  -0.058  -3.808
   57    HA   CYS   8           HA       CYS   8  -0.869  -1.536  -4.862
   58   1HB   CYS   8           HB2      CYS   8   0.419  -2.099  -2.921
   59   2HB   CYS   8           HB1      CYS   8   0.335  -0.344  -2.975
   60    H    SER   9           HN       SER   9  -0.878  -3.478  -2.563
   61    HA   SER   9           HA       SER   9  -3.733  -4.330  -2.620
   62   1HB   SER   9           HB2      SER   9  -2.034  -5.450  -4.357
   63   2HB   SER   9           HB1      SER   9  -1.627  -6.424  -2.946
   64    HG   SER   9           HG       SER   9  -4.129  -6.095  -4.229
   65    H    ARG  10           HN       ARG  10  -2.668  -6.950  -1.415
   66    HA   ARG  10           HA       ARG  10  -2.216  -5.849   1.322
   67   1HB   ARG  10           HB2      ARG  10  -4.318  -7.049   1.197
   68   2HB   ARG  10           HB1      ARG  10  -3.537  -8.425   0.416
   69   1HG   ARG  10           HG2      ARG  10  -3.778  -9.018   2.725
   70   2HG   ARG  10           HG1      ARG  10  -2.076  -8.614   2.497
   71   1HD   ARG  10           HD2      ARG  10  -2.656  -6.253   3.247
   72   2HD   ARG  10           HD1      ARG  10  -4.234  -6.882   3.723
   73    HE   ARG  10           HE       ARG  10  -2.458  -8.584   4.982
   74   1HH1  ARG  10          HH21      ARG  10  -2.892  -5.164   4.771
   75   2HH1  ARG  10          HH22      ARG  10  -2.287  -4.860   6.364
   76   1HH2  ARG  10          HH11      ARG  10  -1.664  -8.196   7.060
   77   2HH2  ARG  10          HH12      ARG  10  -1.595  -6.572   7.658
   78    H    LEU  11           HN       LEU  11  -0.003  -5.891   1.476
   79    HA   LEU  11           HA       LEU  11   2.020  -6.966   2.062
   80   1HB   LEU  11           HB2      LEU  11   0.273  -9.078   2.182
   81   2HB   LEU  11           HB1      LEU  11   1.363  -9.590   0.892
   82    HG   LEU  11           HG       LEU  11   2.916  -8.422   2.999
   83   1HD1  LEU  11          HD11      LEU  11   2.393 -10.100   4.779
   84   2HD1  LEU  11          HD12      LEU  11   0.983 -10.603   3.847
   85   3HD1  LEU  11          HD13      LEU  11   1.068  -8.968   4.501
   86   1HD2  LEU  11          HD21      LEU  11   4.186 -10.360   2.701
   87   2HD2  LEU  11          HD22      LEU  11   3.322 -10.288   1.167
   88   3HD2  LEU  11          HD23      LEU  11   2.766 -11.371   2.442
   89    H    MET  12           HN       MET  12   2.640  -5.523   0.241
   90    HA   MET  12           HA       MET  12   3.490  -7.129  -2.136
   91   1HB   MET  12           HB2      MET  12   2.235  -4.409  -1.963
   92   2HB   MET  12           HB1      MET  12   3.399  -4.726  -3.249
   93   1HG   MET  12           HG2      MET  12   0.982  -6.463  -2.678
   94   2HG   MET  12           HG1      MET  12   1.033  -5.214  -3.922
   95   1HE   MET  12           HE1      MET  12   1.038  -8.156  -6.146
   96   2HE   MET  12           HE2      MET  12   0.080  -7.166  -5.048
   97   3HE   MET  12           HE3      MET  12   0.673  -8.738  -4.516
   98    H    TYR  13           HN       TYR  13   4.177  -4.387   0.001
   99    HA   TYR  13           HA       TYR  13   6.225  -3.569   0.780
  100   1HB   TYR  13           HB2      TYR  13   7.482  -5.874  -0.727
  101   2HB   TYR  13           HB1      TYR  13   8.192  -4.952   0.598
  102    HD1  TYR  13           HD1      TYR  13   7.061  -8.048   0.048
  103    HD2  TYR  13           HD2      TYR  13   6.062  -4.684   2.524
  104    HE1  TYR  13           HE1      TYR  13   6.000  -9.572   1.692
  105    HE2  TYR  13           HE2      TYR  13   5.002  -6.205   4.167
  106    HH   TYR  13           HH       TYR  13   5.445  -8.937   4.693
  107    H    ASP  14           HN       ASP  14   5.237  -2.207  -1.336
  108    HA   ASP  14           HA       ASP  14   7.625  -1.808  -3.097
  109   1HB   ASP  14           HB2      ASP  14   5.286  -0.511  -4.160
  110   2HB   ASP  14           HB1      ASP  14   6.266  -1.777  -4.891
  111    H    CYS  15           HN       CYS  15   5.361  -0.410  -0.876
  112    HA   CYS  15           HA       CYS  15   5.587   2.341  -1.390
  113   1HB   CYS  15           HB2      CYS  15   5.677   1.079   1.361
  114   2HB   CYS  15           HB1      CYS  15   5.097   2.692   0.947
  115    H    CYS  16           HN       CYS  16   7.221   3.684  -1.429
  116    HA   CYS  16           HA       CYS  16   9.923   2.923  -1.096
  117   1HB   CYS  16           HB2      CYS  16   8.790   4.983  -2.260
  118   2HB   CYS  16           HB1      CYS  16   9.004   5.746  -0.690
  119    H    THR  17           HN       THR  17   7.560   4.080   1.220
  120    HA   THR  17           HA       THR  17   9.437   3.468   3.403
  121    HB   THR  17           HB       THR  17   9.979   5.811   2.961
  122    HG1  THR  17           HG1      THR  17   8.227   5.813   5.168
  123   1HG2  THR  17          HG21      THR  17   8.392   7.499   2.704
  124   2HG2  THR  17          HG22      THR  17   7.150   6.602   3.577
  125   3HG2  THR  17          HG23      THR  17   7.580   6.138   1.931
  126    H    GLY  18           HN       GLY  18   7.623   1.822   3.508
  127   1HA   GLY  18           HA2      GLY  18   5.994   1.932   5.644
  128   2HA   GLY  18           HA1      GLY  18   5.047   2.884   4.500
  129    H    SER  19           HN       SER  19   3.488   1.017   4.911
  130    HA   SER  19           HA       SER  19   4.085  -1.187   2.980
  131   1HB   SER  19           HB2      SER  19   2.374  -1.527   5.446
  132   2HB   SER  19           HB1      SER  19   3.042  -2.781   4.406
  133    HG   SER  19           HG       SER  19   5.123  -2.119   5.110
  134    H    CYS  20           HN       CYS  20   1.554  -2.377   3.020
  135    HA   CYS  20           HA       CYS  20   0.051  -0.460   1.413
  136   1HB   CYS  20           HB2      CYS  20  -0.207  -3.358   2.108
  137   2HB   CYS  20           HB1      CYS  20  -1.639  -2.510   1.524
  138    H    ARG  21           HN       ARG  21  -1.271   1.016   2.346
  139    HA   ARG  21           HA       ARG  21  -2.672   0.252   4.868
  140   1HB   ARG  21           HB2      ARG  21  -1.108   2.132   5.135
  141   2HB   ARG  21           HB1      ARG  21  -1.930   3.005   3.842
  142   1HG   ARG  21           HG2      ARG  21  -4.056   2.451   5.388
  143   2HG   ARG  21           HG1      ARG  21  -2.807   2.479   6.631
  144   1HD   ARG  21           HD2      ARG  21  -2.297   4.697   4.953
  145   2HD   ARG  21           HD1      ARG  21  -4.032   4.701   5.266
  146    HE   ARG  21           HE       ARG  21  -2.900   4.269   7.761
  147   1HH1  ARG  21          HH21      ARG  21  -2.568   6.584   5.218
  148   2HH1  ARG  21          HH22      ARG  21  -2.149   7.883   6.283
  149   1HH2  ARG  21          HH11      ARG  21  -2.350   5.955   9.156
  150   2HH2  ARG  21          HH12      ARG  21  -2.024   7.528   8.509
  151    H    SER  22           HN       SER  22  -4.761  -0.197   4.468
  152    HA   SER  22           HA       SER  22  -6.948   0.012   3.639
  153   1HB   SER  22           HB2      SER  22  -6.460   2.572   2.253
  154   2HB   SER  22           HB1      SER  22  -7.711   2.142   3.416
  155    HG   SER  22           HG       SER  22  -6.381   3.533   4.468
  156    H    GLY  23           HN       GLY  23  -4.834  -1.233   2.025
  157   1HA   GLY  23           HA2      GLY  23  -4.960  -2.295  -0.103
  158   2HA   GLY  23           HA1      GLY  23  -6.255  -1.185  -0.549
  159    H    LYS  24           HN       LYS  24  -4.169   0.936   0.595
  160    HA   LYS  24           HA       LYS  24  -2.711   1.162  -2.009
  161   1HB   LYS  24           HB2      LYS  24  -3.331   3.464  -0.155
  162   2HB   LYS  24           HB1      LYS  24  -2.879   3.524  -1.858
  163   1HG   LYS  24           HG2      LYS  24  -4.990   2.642  -2.549
  164   2HG   LYS  24           HG1      LYS  24  -5.415   2.196  -0.896
  165   1HD   LYS  24           HD2      LYS  24  -5.125   4.747  -0.403
  166   2HD   LYS  24           HD1      LYS  24  -5.319   4.928  -2.146
  167   1HE   LYS  24           HE2      LYS  24  -7.335   3.134  -1.369
  168   2HE   LYS  24           HE1      LYS  24  -7.336   4.394  -0.135
  169   1HZ   LYS  24           HZ1      LYS  24  -8.716   5.219  -1.791
  170   2HZ   LYS  24           HZ2      LYS  24  -7.717   4.667  -3.050
  171   3HZ   LYS  24           HZ3      LYS  24  -7.238   5.992  -2.100
  172   1H    CYS  25           H1       CYS  25   2.339   2.775   1.985
  173    H    CYS  25           HN       CYS  25  -0.770   2.908  -1.487
  174    HA   CYS  25           HA       CYS  25   1.024   1.422   0.251
  175   1HB   CYS  25           HB2      CYS  25   1.233   3.564  -1.707
  176   2HB   CYS  25           HB1      CYS  25   2.217   3.898  -0.282
  Start of MODEL    2
    1   2H    CYS   1           HT2      CYS   1  10.786   2.122  -6.630
    2   3H    CYS   1           HT3      CYS   1  11.886   2.389  -5.362
    3    HA   CYS   1           HA       CYS   1   9.524   1.377  -4.907
    4   1HB   CYS   1           HB2      CYS   1   9.637   2.663  -2.658
    5   2HB   CYS   1           HB1      CYS   1  11.004   1.639  -3.092
    6    H    LYS   2           HN       LYS   2   7.403   2.072  -4.297
    7    HA   LYS   2           HA       LYS   2   6.517   4.484  -5.708
    8   1HB   LYS   2           HB2      LYS   2   5.179   2.182  -4.323
    9   2HB   LYS   2           HB1      LYS   2   4.255   3.651  -4.639
   10   1HG   LYS   2           HG2      LYS   2   4.034   2.024  -6.492
   11   2HG   LYS   2           HG1      LYS   2   4.816   3.512  -7.025
   12   1HD   LYS   2           HD2      LYS   2   7.033   2.423  -6.714
   13   2HD   LYS   2           HD1      LYS   2   6.209   0.922  -6.287
   14   1HE   LYS   2           HE2      LYS   2   6.322   2.329  -8.943
   15   2HE   LYS   2           HE1      LYS   2   6.606   0.627  -8.575
   16   1HZ   LYS   2           HZ1      LYS   2   4.003   2.052  -8.549
   17   2HZ   LYS   2           HZ2      LYS   2   4.221   0.462  -7.989
   18   3HZ   LYS   2           HZ3      LYS   2   4.489   0.835  -9.626
   19    H    GLY   3           HN       GLY   3   5.229   6.160  -4.640
   20   1HA   GLY   3           HA2      GLY   3   6.296   6.782  -1.953
   21   2HA   GLY   3           HA1      GLY   3   5.402   7.893  -2.994
   22    H    LYS   4           HN       LYS   4   4.793   7.432  -0.208
   23    HA   LYS   4           HA       LYS   4   2.797   5.598   0.368
   24   1HB   LYS   4           HB2      LYS   4   3.684   8.165   1.397
   25   2HB   LYS   4           HB1      LYS   4   1.952   7.946   1.597
   26   1HG   LYS   4           HG2      LYS   4   2.309   5.802   2.683
   27   2HG   LYS   4           HG1      LYS   4   4.039   5.916   2.404
   28   1HD   LYS   4           HD2      LYS   4   2.567   8.054   3.939
   29   2HD   LYS   4           HD1      LYS   4   3.169   6.602   4.742
   30   1HE   LYS   4           HE2      LYS   4   5.442   7.104   3.769
   31   2HE   LYS   4           HE1      LYS   4   4.795   8.646   3.209
   32   1HZ   LYS   4           HZ1      LYS   4   5.698   9.172   5.251
   33   2HZ   LYS   4           HZ2      LYS   4   5.219   7.709   5.969
   34   3HZ   LYS   4           HZ3      LYS   4   4.068   8.915   5.644
   35    H    GLY   5           HN       GLY   5   0.484   5.822   0.420
   36   1HA   GLY   5           HA2      GLY   5  -1.599   6.259  -0.570
   37   2HA   GLY   5           HA1      GLY   5  -0.973   7.862  -0.949
   38    H    ALA   6           HN       ALA   6   1.072   5.510  -2.241
   39    HA   ALA   6           HA       ALA   6   0.192   6.153  -4.946
   40   1HB   ALA   6           HB1      ALA   6   2.395   4.373  -3.885
   41   2HB   ALA   6           HB2      ALA   6   2.566   6.000  -4.544
   42   3HB   ALA   6           HB3      ALA   6   2.111   4.664  -5.601
   43    H    LYS   7           HN       LYS   7  -1.566   4.437  -3.149
   44    HA   LYS   7           HA       LYS   7  -2.902   2.564  -3.351
   45   1HB   LYS   7           HB2      LYS   7  -2.670   3.738  -5.888
   46   2HB   LYS   7           HB1      LYS   7  -2.488   1.998  -6.142
   47   1HG   LYS   7           HG2      LYS   7  -4.492   2.186  -4.237
   48   2HG   LYS   7           HG1      LYS   7  -4.843   3.505  -5.339
   49   1HD   LYS   7           HD2      LYS   7  -5.217   2.102  -7.143
   50   2HD   LYS   7           HD1      LYS   7  -4.135   0.855  -6.521
   51   1HE   LYS   7           HE2      LYS   7  -6.513   0.159  -6.384
   52   2HE   LYS   7           HE1      LYS   7  -5.768   0.265  -4.790
   53   1HZ   LYS   7           HZ1      LYS   7  -8.070   1.375  -5.278
   54   2HZ   LYS   7           HZ2      LYS   7  -7.102   2.640  -5.870
   55   3HZ   LYS   7           HZ3      LYS   7  -6.942   2.126  -4.258
   56    H    CYS   8           HN       CYS   8  -2.865   0.256  -3.654
   57    HA   CYS   8           HA       CYS   8  -0.719  -1.213  -4.775
   58   1HB   CYS   8           HB2      CYS   8   0.633  -1.764  -2.860
   59   2HB   CYS   8           HB1      CYS   8   0.575  -0.009  -2.974
   60    H    SER   9           HN       SER   9  -0.520  -3.364  -3.035
   61    HA   SER   9           HA       SER   9  -3.343  -4.308  -2.992
   62   1HB   SER   9           HB2      SER   9  -1.510  -5.565  -4.266
   63   2HB   SER   9           HB1      SER   9  -0.852  -5.998  -2.692
   64    HG   SER   9           HG       SER   9  -2.822  -7.157  -4.004
   65    H    ARG  10           HN       ARG  10  -2.402  -6.538  -1.151
   66    HA   ARG  10           HA       ARG  10  -2.808  -5.011   1.358
   67   1HB   ARG  10           HB2      ARG  10  -3.152  -7.879   0.536
   68   2HB   ARG  10           HB1      ARG  10  -2.961  -7.483   2.246
   69   1HG   ARG  10           HG2      ARG  10  -4.955  -6.303   2.340
   70   2HG   ARG  10           HG1      ARG  10  -4.914  -5.896   0.624
   71   1HD   ARG  10           HD2      ARG  10  -5.022  -8.744   0.886
   72   2HD   ARG  10           HD1      ARG  10  -6.300  -8.047   1.878
   73    HE   ARG  10           HE       ARG  10  -6.374  -8.269  -0.942
   74   1HH1  ARG  10          HH21      ARG  10  -6.837  -5.849   1.496
   75   2HH1  ARG  10          HH22      ARG  10  -7.698  -4.784   0.439
   76   1HH2  ARG  10          HH11      ARG  10  -7.516  -6.895  -2.297
   77   2HH2  ARG  10          HH12      ARG  10  -8.090  -5.377  -1.694
   78    H    LEU  11           HN       LEU  11  -0.370  -6.830  -0.341
   79    HA   LEU  11           HA       LEU  11   1.469  -6.339   1.958
   80   1HB   LEU  11           HB2      LEU  11   1.095  -8.889   0.383
   81   2HB   LEU  11           HB1      LEU  11   2.594  -8.547   1.250
   82    HG   LEU  11           HG       LEU  11   0.733  -7.943   3.158
   83   1HD1  LEU  11          HD11      LEU  11  -0.322 -10.506   2.023
   84   2HD1  LEU  11          HD12      LEU  11  -0.911  -8.984   1.355
   85   3HD1  LEU  11          HD13      LEU  11  -1.121  -9.334   3.071
   86   1HD2  LEU  11          HD21      LEU  11   1.418 -10.809   3.055
   87   2HD2  LEU  11          HD22      LEU  11   1.818  -9.601   4.276
   88   3HD2  LEU  11          HD23      LEU  11   2.793  -9.731   2.814
   89    H    MET  12           HN       MET  12   2.761  -8.100  -0.702
   90    HA   MET  12           HA       MET  12   4.179  -7.466  -2.454
   91   1HB   MET  12           HB2      MET  12   2.963  -4.708  -2.150
   92   2HB   MET  12           HB1      MET  12   3.771  -5.371  -3.572
   93   1HG   MET  12           HG2      MET  12   1.689  -7.178  -2.812
   94   2HG   MET  12           HG1      MET  12   1.009  -5.553  -2.883
   95   1HE   MET  12           HE1      MET  12   1.381  -3.995  -4.384
   96   2HE   MET  12           HE2      MET  12   0.656  -4.382  -5.942
   97   3HE   MET  12           HE3      MET  12   2.388  -4.079  -5.835
   98    H    TYR  13           HN       TYR  13   3.938  -4.686  -0.198
   99    HA   TYR  13           HA       TYR  13   5.601  -3.653   1.091
  100   1HB   TYR  13           HB2      TYR  13   7.388  -5.947   0.232
  101   2HB   TYR  13           HB1      TYR  13   7.651  -4.849   1.584
  102    HD1  TYR  13           HD1      TYR  13   6.549  -8.041   0.776
  103    HD2  TYR  13           HD2      TYR  13   5.452  -4.658   3.182
  104    HE1  TYR  13           HE1      TYR  13   5.215  -9.523   2.250
  105    HE2  TYR  13           HE2      TYR  13   4.116  -6.137   4.655
  106    HH   TYR  13           HH       TYR  13   4.202  -8.694   5.256
  107    H    ASP  14           HN       ASP  14   5.152  -2.737  -1.496
  108    HA   ASP  14           HA       ASP  14   7.886  -2.270  -2.595
  109   1HB   ASP  14           HB2      ASP  14   5.148  -1.789  -3.812
  110   2HB   ASP  14           HB1      ASP  14   6.679  -1.413  -4.603
  111    H    CYS  15           HN       CYS  15   5.263  -0.771  -0.919
  112    HA   CYS  15           HA       CYS  15   5.471   1.934  -1.575
  113   1HB   CYS  15           HB2      CYS  15   5.296   0.856   1.254
  114   2HB   CYS  15           HB1      CYS  15   4.740   2.431   0.682
  115    H    CYS  16           HN       CYS  16   7.057   3.351  -1.536
  116    HA   CYS  16           HA       CYS  16   9.722   2.670  -0.735
  117   1HB   CYS  16           HB2      CYS  16   8.835   4.425  -2.449
  118   2HB   CYS  16           HB1      CYS  16   8.735   5.490  -1.054
  119    H    THR  17           HN       THR  17   7.012   3.715   1.046
  120    HA   THR  17           HA       THR  17   8.665   3.962   3.468
  121    HB   THR  17           HB       THR  17   7.192   6.159   3.922
  122    HG1  THR  17           HG1      THR  17   7.431   7.311   1.794
  123   1HG2  THR  17          HG21      THR  17   9.359   7.140   2.406
  124   2HG2  THR  17          HG22      THR  17   9.886   5.588   3.056
  125   3HG2  THR  17          HG23      THR  17   9.318   6.854   4.146
  126    H    GLY  18           HN       GLY  18   7.597   2.670   4.882
  127   1HA   GLY  18           HA2      GLY  18   5.762   2.059   6.281
  128   2HA   GLY  18           HA1      GLY  18   4.694   3.024   5.262
  129    H    SER  19           HN       SER  19   3.189   1.246   5.120
  130    HA   SER  19           HA       SER  19   4.055  -0.806   3.140
  131   1HB   SER  19           HB2      SER  19   4.082  -1.814   5.423
  132   2HB   SER  19           HB1      SER  19   2.382  -1.389   5.603
  133    HG   SER  19           HG       SER  19   3.592  -3.200   3.798
  134    H    CYS  20           HN       CYS  20   1.526  -2.149   3.128
  135    HA   CYS  20           HA       CYS  20  -0.006  -0.210   1.547
  136   1HB   CYS  20           HB2      CYS  20  -0.173  -3.158   2.081
  137   2HB   CYS  20           HB1      CYS  20  -1.583  -2.321   1.432
  138    H    ARG  21           HN       ARG  21  -1.383   1.154   2.576
  139    HA   ARG  21           HA       ARG  21  -2.700   0.217   5.082
  140   1HB   ARG  21           HB2      ARG  21  -2.324   3.000   3.947
  141   2HB   ARG  21           HB1      ARG  21  -3.204   2.640   5.432
  142   1HG   ARG  21           HG2      ARG  21  -1.298   2.147   6.609
  143   2HG   ARG  21           HG1      ARG  21  -0.467   1.500   5.193
  144   1HD   ARG  21           HD2      ARG  21   0.567   3.619   5.913
  145   2HD   ARG  21           HD1      ARG  21  -0.174   3.796   4.322
  146    HE   ARG  21           HE       ARG  21  -2.173   4.581   6.071
  147   1HH1  ARG  21          HH21      ARG  21   1.136   5.408   5.521
  148   2HH1  ARG  21          HH22      ARG  21   0.946   7.047   6.047
  149   1HH2  ARG  21          HH11      ARG  21  -2.430   6.714   6.757
  150   2HH2  ARG  21          HH12      ARG  21  -1.070   7.786   6.745
  151    H    SER  22           HN       SER  22  -4.728  -0.513   4.806
  152    HA   SER  22           HA       SER  22  -6.906  -0.740   3.972
  153   1HB   SER  22           HB2      SER  22  -6.619   2.048   2.860
  154   2HB   SER  22           HB1      SER  22  -8.072   1.251   3.456
  155    HG   SER  22           HG       SER  22  -5.798   2.006   4.986
  156    H    GLY  23           HN       GLY  23  -4.321  -0.909   2.148
  157   1HA   GLY  23           HA2      GLY  23  -4.527  -2.189   0.029
  158   2HA   GLY  23           HA1      GLY  23  -5.894  -1.155  -0.383
  159    H    LYS  24           HN       LYS  24  -4.352   1.220   0.726
  160    HA   LYS  24           HA       LYS  24  -2.824   1.722  -1.762
  161   1HB   LYS  24           HB2      LYS  24  -3.623   3.643   0.443
  162   2HB   LYS  24           HB1      LYS  24  -2.924   4.082  -1.116
  163   1HG   LYS  24           HG2      LYS  24  -4.893   3.806  -2.218
  164   2HG   LYS  24           HG1      LYS  24  -5.319   2.368  -1.290
  165   1HD   LYS  24           HD2      LYS  24  -5.326   4.977   0.153
  166   2HD   LYS  24           HD1      LYS  24  -6.638   4.678  -0.988
  167   1HE   LYS  24           HE2      LYS  24  -6.953   2.425   0.170
  168   2HE   LYS  24           HE1      LYS  24  -5.871   3.025   1.425
  169   1HZ   LYS  24           HZ1      LYS  24  -8.098   3.486   2.078
  170   2HZ   LYS  24           HZ2      LYS  24  -8.460   4.203   0.579
  171   3HZ   LYS  24           HZ3      LYS  24  -7.378   4.961   1.649
  172   1H    CYS  25           H1       CYS  25   2.474   2.860   1.937
  173    H    CYS  25           HN       CYS  25  -0.757   3.084  -1.439
  174    HA   CYS  25           HA       CYS  25   0.999   1.598   0.330
  175   1HB   CYS  25           HB2      CYS  25   1.273   3.654  -1.759
  176   2HB   CYS  25           HB1      CYS  25   2.456   3.795  -0.459
  Start of MODEL    3
    1   2H    CYS   1           HT2      CYS   1  10.687   1.710  -6.438
    2   3H    CYS   1           HT3      CYS   1  11.800   1.647  -5.158
    3    HA   CYS   1           HA       CYS   1   9.488   0.897  -4.601
    4   1HB   CYS   1           HB2      CYS   1   9.462   2.512  -2.527
    5   2HB   CYS   1           HB1      CYS   1  10.775   1.352  -2.713
    6    H    LYS   2           HN       LYS   2   7.414   1.876  -3.728
    7    HA   LYS   2           HA       LYS   2   6.485   3.958  -5.629
    8   1HB   LYS   2           HB2      LYS   2   5.217   1.746  -4.104
    9   2HB   LYS   2           HB1      LYS   2   4.238   3.196  -4.328
   10   1HG   LYS   2           HG2      LYS   2   5.711   2.173  -6.709
   11   2HG   LYS   2           HG1      LYS   2   4.317   1.240  -6.163
   12   1HD   LYS   2           HD2      LYS   2   2.912   3.258  -6.256
   13   2HD   LYS   2           HD1      LYS   2   4.303   4.210  -6.775
   14   1HE   LYS   2           HE2      LYS   2   4.438   3.084  -8.858
   15   2HE   LYS   2           HE1      LYS   2   3.395   1.773  -8.308
   16   1HZ   LYS   2           HZ1      LYS   2   2.249   4.436  -8.197
   17   2HZ   LYS   2           HZ2      LYS   2   1.543   2.966  -8.674
   18   3HZ   LYS   2           HZ3      LYS   2   2.533   3.829  -9.754
   19    H    GLY   3           HN       GLY   3   4.808   5.531  -4.641
   20   1HA   GLY   3           HA2      GLY   3   5.968   6.602  -2.112
   21   2HA   GLY   3           HA1      GLY   3   5.069   7.555  -3.294
   22    H    LYS   4           HN       LYS   4   4.512   7.266  -0.401
   23    HA   LYS   4           HA       LYS   4   2.438   5.510   0.216
   24   1HB   LYS   4           HB2      LYS   4   3.544   7.882   1.337
   25   2HB   LYS   4           HB1      LYS   4   1.790   8.024   1.373
   26   1HG   LYS   4           HG2      LYS   4   1.811   5.606   2.248
   27   2HG   LYS   4           HG1      LYS   4   3.516   5.874   2.576
   28   1HD   LYS   4           HD2      LYS   4   1.684   8.008   3.512
   29   2HD   LYS   4           HD1      LYS   4   1.555   6.465   4.358
   30   1HE   LYS   4           HE2      LYS   4   4.312   7.440   3.853
   31   2HE   LYS   4           HE1      LYS   4   3.370   8.364   5.022
   32   1HZ   LYS   4           HZ1      LYS   4   3.767   6.785   6.499
   33   2HZ   LYS   4           HZ2      LYS   4   4.598   5.852   5.347
   34   3HZ   LYS   4           HZ3      LYS   4   2.920   5.670   5.542
   35    H    GLY   5           HN       GLY   5   0.168   5.781   0.253
   36   1HA   GLY   5           HA2      GLY   5  -1.922   6.354  -0.658
   37   2HA   GLY   5           HA1      GLY   5  -1.216   7.905  -1.105
   38    H    ALA   6           HN       ALA   6   0.762   5.603  -2.452
   39    HA   ALA   6           HA       ALA   6  -0.325   6.102  -5.109
   40   1HB   ALA   6           HB1      ALA   6   1.662   5.095  -5.933
   41   2HB   ALA   6           HB2      ALA   6   1.928   4.216  -4.427
   42   3HB   ALA   6           HB3      ALA   6   2.154   5.965  -4.479
   43    H    LYS   7           HN       LYS   7  -1.927   4.373  -3.207
   44    HA   LYS   7           HA       LYS   7  -3.166   2.417  -3.305
   45   1HB   LYS   7           HB2      LYS   7  -3.035   3.494  -5.886
   46   2HB   LYS   7           HB1      LYS   7  -2.733   1.763  -6.079
   47   1HG   LYS   7           HG2      LYS   7  -4.727   1.878  -4.163
   48   2HG   LYS   7           HG1      LYS   7  -5.180   3.133  -5.301
   49   1HD   LYS   7           HD2      LYS   7  -4.540   0.260  -6.022
   50   2HD   LYS   7           HD1      LYS   7  -6.156   0.969  -5.979
   51   1HE   LYS   7           HE2      LYS   7  -5.511   2.573  -7.732
   52   2HE   LYS   7           HE1      LYS   7  -3.887   1.888  -7.769
   53   1HZ   LYS   7           HZ1      LYS   7  -6.282   0.933  -8.990
   54   2HZ   LYS   7           HZ2      LYS   7  -5.546  -0.265  -8.037
   55   3HZ   LYS   7           HZ3      LYS   7  -4.672   0.489  -9.285
   56    H    CYS   8           HN       CYS   8  -2.988   0.111  -3.466
   57    HA   CYS   8           HA       CYS   8  -0.772  -1.275  -4.574
   58   1HB   CYS   8           HB2      CYS   8   0.650  -1.646  -2.679
   59   2HB   CYS   8           HB1      CYS   8   0.445   0.096  -2.830
   60    H    SER   9           HN       SER   9  -0.441  -3.437  -3.071
   61    HA   SER   9           HA       SER   9  -3.207  -4.475  -2.740
   62   1HB   SER   9           HB2      SER   9  -1.674  -5.701  -4.255
   63   2HB   SER   9           HB1      SER   9  -0.556  -5.945  -2.916
   64    HG   SER   9           HG       SER   9  -2.829  -7.283  -3.558
   65    H    ARG  10           HN       ARG  10  -1.901  -6.722  -1.080
   66    HA   ARG  10           HA       ARG  10  -2.233  -5.326   1.508
   67   1HB   ARG  10           HB2      ARG  10  -2.068  -8.249   0.737
   68   2HB   ARG  10           HB1      ARG  10  -2.136  -7.701   2.411
   69   1HG   ARG  10           HG2      ARG  10  -4.191  -6.933   0.324
   70   2HG   ARG  10           HG1      ARG  10  -4.384  -8.301   1.421
   71   1HD   ARG  10           HD2      ARG  10  -3.592  -5.950   2.896
   72   2HD   ARG  10           HD1      ARG  10  -5.027  -5.598   1.937
   73    HE   ARG  10           HE       ARG  10  -5.013  -7.089   4.337
   74   1HH1  ARG  10          HH21      ARG  10  -6.177  -7.399   1.086
   75   2HH1  ARG  10          HH22      ARG  10  -7.300  -8.651   1.486
   76   1HH2  ARG  10          HH11      ARG  10  -6.489  -8.697   4.850
   77   2HH2  ARG  10          HH12      ARG  10  -7.483  -9.379   3.606
   78    H    LEU  11           HN       LEU  11   0.048  -7.799   0.256
   79    HA   LEU  11           HA       LEU  11   2.195  -6.379   1.786
   80   1HB   LEU  11           HB2      LEU  11   1.564  -9.308   1.528
   81   2HB   LEU  11           HB1      LEU  11   3.229  -8.794   1.797
   82    HG   LEU  11           HG       LEU  11   1.895  -7.271   3.640
   83   1HD1  LEU  11          HD11      LEU  11  -0.104  -8.154   4.170
   84   2HD1  LEU  11          HD12      LEU  11   0.639  -9.731   4.437
   85   3HD1  LEU  11          HD13      LEU  11   0.065  -9.288   2.830
   86   1HD2  LEU  11          HD21      LEU  11   3.374  -8.345   4.963
   87   2HD2  LEU  11          HD22      LEU  11   3.754  -9.384   3.590
   88   3HD2  LEU  11          HD23      LEU  11   2.524  -9.876   4.755
   89    H    MET  12           HN       MET  12   1.980  -5.434  -0.657
   90    HA   MET  12           HA       MET  12   3.407  -7.061  -2.636
   91   1HB   MET  12           HB2      MET  12   2.007  -4.456  -2.580
   92   2HB   MET  12           HB1      MET  12   3.391  -4.533  -3.671
   93   1HG   MET  12           HG2      MET  12   1.341  -6.740  -3.645
   94   2HG   MET  12           HG1      MET  12   1.065  -5.268  -4.578
   95   1HE   MET  12           HE1      MET  12   3.837  -5.112  -7.138
   96   2HE   MET  12           HE2      MET  12   3.692  -4.283  -5.589
   97   3HE   MET  12           HE3      MET  12   2.261  -4.524  -6.590
   98    H    TYR  13           HN       TYR  13   4.302  -5.097  -0.029
   99    HA   TYR  13           HA       TYR  13   6.339  -4.093   0.588
  100   1HB   TYR  13           HB2      TYR  13   7.272  -6.383  -1.166
  101   2HB   TYR  13           HB1      TYR  13   8.353  -5.413  -0.164
  102    HD1  TYR  13           HD1      TYR  13   5.626  -7.889  -0.159
  103    HD2  TYR  13           HD2      TYR  13   8.298  -5.562   2.269
  104    HE1  TYR  13           HE1      TYR  13   5.061  -9.290   1.805
  105    HE2  TYR  13           HE2      TYR  13   7.733  -6.962   4.234
  106    HH   TYR  13           HH       TYR  13   6.320  -9.898   4.052
  107    H    ASP  14           HN       ASP  14   5.132  -2.644  -1.428
  108    HA   ASP  14           HA       ASP  14   7.408  -2.010  -3.267
  109   1HB   ASP  14           HB2      ASP  14   5.456  -0.833  -4.573
  110   2HB   ASP  14           HB1      ASP  14   5.656  -2.580  -4.705
  111    H    CYS  15           HN       CYS  15   5.332  -0.834  -0.770
  112    HA   CYS  15           HA       CYS  15   5.493   1.974  -1.294
  113   1HB   CYS  15           HB2      CYS  15   5.399   0.657   1.430
  114   2HB   CYS  15           HB1      CYS  15   4.861   2.284   1.006
  115    H    CYS  16           HN       CYS  16   7.147   3.270  -1.255
  116    HA   CYS  16           HA       CYS  16   9.804   2.425  -0.597
  117   1HB   CYS  16           HB2      CYS  16   8.891   4.333  -2.160
  118   2HB   CYS  16           HB1      CYS  16   8.992   5.306  -0.698
  119    H    THR  17           HN       THR  17   7.238   3.918   1.246
  120    HA   THR  17           HA       THR  17   8.893   3.680   3.678
  121    HB   THR  17           HB       THR  17   7.740   6.153   4.096
  122    HG1  THR  17           HG1      THR  17   7.923   7.306   2.288
  123   1HG2  THR  17          HG21      THR  17   9.884   6.199   4.815
  124   2HG2  THR  17          HG22      THR  17  10.279   6.752   3.188
  125   3HG2  THR  17          HG23      THR  17  10.406   5.040   3.591
  126    H    GLY  18           HN       GLY  18   7.557   2.456   4.922
  127   1HA   GLY  18           HA2      GLY  18   5.593   2.510   6.422
  128   2HA   GLY  18           HA1      GLY  18   4.699   3.310   5.128
  129    H    SER  19           HN       SER  19   3.070   1.727   4.959
  130    HA   SER  19           HA       SER  19   3.901  -0.731   3.539
  131   1HB   SER  19           HB2      SER  19   2.417  -0.704   6.172
  132   2HB   SER  19           HB1      SER  19   2.326  -2.067   5.060
  133    HG   SER  19           HG       SER  19   4.222  -1.501   6.820
  134    H    CYS  20           HN       CYS  20   1.480  -2.007   3.377
  135    HA   CYS  20           HA       CYS  20  -0.027  -0.161   1.674
  136   1HB   CYS  20           HB2      CYS  20  -0.090  -3.090   2.265
  137   2HB   CYS  20           HB1      CYS  20  -1.554  -2.349   1.620
  138    H    ARG  21           HN       ARG  21  -1.336   1.274   2.717
  139    HA   ARG  21           HA       ARG  21  -2.853   0.322   5.100
  140   1HB   ARG  21           HB2      ARG  21  -1.499   2.353   5.422
  141   2HB   ARG  21           HB1      ARG  21  -2.348   3.137   4.091
  142   1HG   ARG  21           HG2      ARG  21  -4.431   3.096   5.286
  143   2HG   ARG  21           HG1      ARG  21  -3.759   2.048   6.537
  144   1HD   ARG  21           HD2      ARG  21  -2.000   4.071   6.710
  145   2HD   ARG  21           HD1      ARG  21  -3.395   4.975   6.120
  146    HE   ARG  21           HE       ARG  21  -4.430   3.461   8.192
  147   1HH1  ARG  21          HH21      ARG  21  -1.770   5.627   7.777
  148   2HH1  ARG  21          HH22      ARG  21  -1.811   6.196   9.411
  149   1HH2  ARG  21          HH11      ARG  21  -4.490   4.197  10.327
  150   2HH2  ARG  21          HH12      ARG  21  -3.348   5.387  10.853
  151    H    SER  22           HN       SER  22  -4.943  -0.194   4.774
  152    HA   SER  22           HA       SER  22  -7.043  -0.353   3.740
  153   1HB   SER  22           HB2      SER  22  -6.718   2.477   2.802
  154   2HB   SER  22           HB1      SER  22  -8.138   1.684   3.481
  155    HG   SER  22           HG       SER  22  -7.199   1.771   5.492
  156    H    GLY  23           HN       GLY  23  -4.465  -0.679   2.072
  157   1HA   GLY  23           HA2      GLY  23  -4.535  -1.674  -0.160
  158   2HA   GLY  23           HA1      GLY  23  -5.874  -0.598  -0.555
  159    H    LYS  24           HN       LYS  24  -4.290   1.629   0.853
  160    HA   LYS  24           HA       LYS  24  -2.741   2.382  -1.550
  161   1HB   LYS  24           HB2      LYS  24  -3.644   3.946   0.881
  162   2HB   LYS  24           HB1      LYS  24  -2.643   4.629  -0.401
  163   1HG   LYS  24           HG2      LYS  24  -4.349   4.392  -2.022
  164   2HG   LYS  24           HG1      LYS  24  -5.254   3.254  -1.024
  165   1HD   LYS  24           HD2      LYS  24  -6.224   4.906   0.218
  166   2HD   LYS  24           HD1      LYS  24  -4.786   5.924   0.175
  167   1HE   LYS  24           HE2      LYS  24  -6.088   7.167  -1.248
  168   2HE   LYS  24           HE1      LYS  24  -5.457   6.023  -2.432
  169   1HZ   LYS  24           HZ1      LYS  24  -7.403   4.826  -2.450
  170   2HZ   LYS  24           HZ2      LYS  24  -7.991   6.408  -2.258
  171   3HZ   LYS  24           HZ3      LYS  24  -7.893   5.367  -0.919
  172   1H    CYS  25           H1       CYS  25   2.712   2.718   2.027
  173    H    CYS  25           HN       CYS  25  -0.558   3.326  -1.268
  174    HA   CYS  25           HA       CYS  25   1.061   1.652   0.452
  175   1HB   CYS  25           HB2      CYS  25   1.503   3.618  -1.661
  176   2HB   CYS  25           HB1      CYS  25   2.688   3.757  -0.363
  Start of MODEL    4
    1   2H    CYS   1           HT2      CYS   1  11.770   2.203  -4.751
    2   3H    CYS   1           HT3      CYS   1  10.925   3.516  -5.421
    3    HA   CYS   1           HA       CYS   1   9.406   1.203  -4.432
    4   1HB   CYS   1           HB2      CYS   1   9.308   2.578  -2.230
    5   2HB   CYS   1           HB1      CYS   1  10.719   1.560  -2.507
    6    H    LYS   2           HN       LYS   2   7.233   1.897  -3.936
    7    HA   LYS   2           HA       LYS   2   6.393   4.205  -5.549
    8   1HB   LYS   2           HB2      LYS   2   4.933   2.049  -4.021
    9   2HB   LYS   2           HB1      LYS   2   4.079   3.429  -4.712
   10   1HG   LYS   2           HG2      LYS   2   4.028   1.617  -6.324
   11   2HG   LYS   2           HG1      LYS   2   5.104   2.874  -6.934
   12   1HD   LYS   2           HD2      LYS   2   6.977   1.582  -6.685
   13   2HD   LYS   2           HD1      LYS   2   6.367   0.798  -5.228
   14   1HE   LYS   2           HE2      LYS   2   5.790  -0.989  -6.462
   15   2HE   LYS   2           HE1      LYS   2   4.654   0.024  -7.351
   16   1HZ   LYS   2           HZ1      LYS   2   7.532  -0.005  -8.013
   17   2HZ   LYS   2           HZ2      LYS   2   6.226   0.499  -8.977
   18   3HZ   LYS   2           HZ3      LYS   2   6.468  -1.154  -8.666
   19    H    GLY   3           HN       GLY   3   4.983   5.898  -4.629
   20   1HA   GLY   3           HA2      GLY   3   5.809   6.563  -1.844
   21   2HA   GLY   3           HA1      GLY   3   5.226   7.727  -3.034
   22    H    LYS   4           HN       LYS   4   4.076   7.574  -0.443
   23    HA   LYS   4           HA       LYS   4   1.822   5.925  -0.184
   24   1HB   LYS   4           HB2      LYS   4   2.578   8.640   0.806
   25   2HB   LYS   4           HB1      LYS   4   0.953   8.049   1.085
   26   1HG   LYS   4           HG2      LYS   4   1.658   6.689   2.720
   27   2HG   LYS   4           HG1      LYS   4   2.862   5.970   1.657
   28   1HD   LYS   4           HD2      LYS   4   4.127   6.940   3.416
   29   2HD   LYS   4           HD1      LYS   4   4.254   8.093   2.087
   30   1HE   LYS   4           HE2      LYS   4   1.890   8.711   3.572
   31   2HE   LYS   4           HE1      LYS   4   3.225   8.545   4.712
   32   1HZ   LYS   4           HZ1      LYS   4   2.709  10.633   2.880
   33   2HZ   LYS   4           HZ2      LYS   4   4.216   9.931   2.532
   34   3HZ   LYS   4           HZ3      LYS   4   3.899  10.543   4.085
   35    H    GLY   5           HN       GLY   5  -0.363   6.238  -0.752
   36   1HA   GLY   5           HA2      GLY   5  -2.182   7.350  -1.872
   37   2HA   GLY   5           HA1      GLY   5  -1.015   8.459  -2.605
   38    H    ALA   6           HN       ALA   6   0.752   6.076  -3.184
   39    HA   ALA   6           HA       ALA   6  -0.319   5.518  -5.827
   40   1HB   ALA   6           HB1      ALA   6   2.206   5.669  -4.879
   41   2HB   ALA   6           HB2      ALA   6   1.787   4.751  -6.325
   42   3HB   ALA   6           HB3      ALA   6   1.960   3.926  -4.775
   43    H    LYS   7           HN       LYS   7  -2.318   4.545  -4.900
   44    HA   LYS   7           HA       LYS   7  -2.952   2.511  -3.398
   45   1HB   LYS   7           HB2      LYS   7  -4.057   3.425  -5.706
   46   2HB   LYS   7           HB1      LYS   7  -3.685   1.751  -6.135
   47   1HG   LYS   7           HG2      LYS   7  -4.731   1.936  -3.445
   48   2HG   LYS   7           HG1      LYS   7  -5.853   2.628  -4.605
   49   1HD   LYS   7           HD2      LYS   7  -4.639  -0.142  -4.721
   50   2HD   LYS   7           HD1      LYS   7  -6.328   0.248  -4.394
   51   1HE   LYS   7           HE2      LYS   7  -5.872   1.576  -6.766
   52   2HE   LYS   7           HE1      LYS   7  -4.902   0.115  -6.962
   53   1HZ   LYS   7           HZ1      LYS   7  -6.716  -1.215  -6.903
   54   2HZ   LYS   7           HZ2      LYS   7  -7.466   0.179  -7.521
   55   3HZ   LYS   7           HZ3      LYS   7  -7.590  -0.195  -5.868
   56    H    CYS   8           HN       CYS   8  -2.727   0.306  -3.137
   57    HA   CYS   8           HA       CYS   8  -0.954  -1.165  -5.009
   58   1HB   CYS   8           HB2      CYS   8   0.543  -1.893  -3.199
   59   2HB   CYS   8           HB1      CYS   8   0.554  -0.134  -3.330
   60    H    SER   9           HN       SER   9  -0.573  -3.455  -3.514
   61    HA   SER   9           HA       SER   9  -3.347  -4.484  -3.360
   62   1HB   SER   9           HB2      SER   9  -1.659  -5.698  -4.728
   63   2HB   SER   9           HB1      SER   9  -0.700  -5.967  -3.275
   64    HG   SER   9           HG       SER   9  -2.183  -7.701  -3.900
   65    H    ARG  10           HN       ARG  10  -1.548  -6.565  -1.527
   66    HA   ARG  10           HA       ARG  10  -2.283  -5.124   0.987
   67   1HB   ARG  10           HB2      ARG  10  -3.723  -7.080   0.591
   68   2HB   ARG  10           HB1      ARG  10  -2.298  -8.106   0.429
   69   1HG   ARG  10           HG2      ARG  10  -3.235  -8.289   2.698
   70   2HG   ARG  10           HG1      ARG  10  -1.636  -7.547   2.747
   71   1HD   ARG  10           HD2      ARG  10  -2.472  -5.663   3.653
   72   2HD   ARG  10           HD1      ARG  10  -3.669  -5.523   2.366
   73    HE   ARG  10           HE       ARG  10  -4.691  -7.509   4.005
   74   1HH1  ARG  10          HH21      ARG  10  -3.550  -4.273   4.411
   75   2HH1  ARG  10          HH22      ARG  10  -4.612  -3.930   5.736
   76   1HH2  ARG  10          HH11      ARG  10  -6.078  -7.071   5.731
   77   2HH2  ARG  10          HH12      ARG  10  -6.040  -5.509   6.482
   78    H    LEU  11           HN       LEU  11  -0.210  -7.868  -0.043
   79    HA   LEU  11           HA       LEU  11   1.947  -6.672   1.650
   80   1HB   LEU  11           HB2      LEU  11   0.821  -9.398   1.577
   81   2HB   LEU  11           HB1      LEU  11   2.584  -9.336   1.537
   82    HG   LEU  11           HG       LEU  11   1.689  -7.421   3.455
   83   1HD1  LEU  11          HD11      LEU  11   0.345  -8.678   4.946
   84   2HD1  LEU  11          HD12      LEU  11   0.668 -10.189   4.097
   85   3HD1  LEU  11          HD13      LEU  11  -0.376  -8.971   3.364
   86   1HD2  LEU  11          HD21      LEU  11   2.865  -9.170   4.987
   87   2HD2  LEU  11          HD22      LEU  11   3.819  -8.399   3.720
   88   3HD2  LEU  11          HD23      LEU  11   3.199 -10.033   3.486
   89    H    MET  12           HN       MET  12   2.654  -5.606  -0.365
   90    HA   MET  12           HA       MET  12   3.981  -7.509  -2.254
   91   1HB   MET  12           HB2      MET  12   2.391  -5.099  -2.677
   92   2HB   MET  12           HB1      MET  12   3.969  -4.990  -3.458
   93   1HG   MET  12           HG2      MET  12   2.383  -7.521  -3.731
   94   2HG   MET  12           HG1      MET  12   1.950  -6.128  -4.721
   95   1HE   MET  12           HE1      MET  12   3.230  -4.958  -6.239
   96   2HE   MET  12           HE2      MET  12   4.756  -5.411  -6.995
   97   3HE   MET  12           HE3      MET  12   4.758  -4.662  -5.400
   98    H    TYR  13           HN       TYR  13   4.385  -4.819  -0.081
   99    HA   TYR  13           HA       TYR  13   6.355  -3.907   0.819
  100   1HB   TYR  13           HB2      TYR  13   7.872  -5.890  -0.887
  101   2HB   TYR  13           HB1      TYR  13   8.406  -5.116   0.604
  102    HD1  TYR  13           HD1      TYR  13   6.904  -8.014  -0.791
  103    HD2  TYR  13           HD2      TYR  13   6.901  -5.535   2.716
  104    HE1  TYR  13           HE1      TYR  13   5.937  -9.878   0.524
  105    HE2  TYR  13           HE2      TYR  13   5.933  -7.399   4.032
  106    HH   TYR  13           HH       TYR  13   6.058 -10.285   3.496
  107    H    ASP  14           HN       ASP  14   5.134  -2.816  -1.542
  108    HA   ASP  14           HA       ASP  14   7.494  -1.952  -3.145
  109   1HB   ASP  14           HB2      ASP  14   5.543  -0.863  -4.538
  110   2HB   ASP  14           HB1      ASP  14   5.856  -2.593  -4.679
  111    H    CYS  15           HN       CYS  15   4.841  -0.748  -1.130
  112    HA   CYS  15           HA       CYS  15   5.106   2.018  -1.510
  113   1HB   CYS  15           HB2      CYS  15   4.764   0.706   1.198
  114   2HB   CYS  15           HB1      CYS  15   4.218   2.310   0.708
  115    H    CYS  16           HN       CYS  16   6.711   3.371  -1.264
  116    HA   CYS  16           HA       CYS  16   9.307   2.565  -0.358
  117   1HB   CYS  16           HB2      CYS  16   8.524   4.477  -1.977
  118   2HB   CYS  16           HB1      CYS  16   8.437   5.429  -0.499
  119    H    THR  17           HN       THR  17   6.512   3.610   1.318
  120    HA   THR  17           HA       THR  17   8.101   4.496   3.672
  121    HB   THR  17           HB       THR  17   6.228   5.945   3.035
  122    HG1  THR  17           HG1      THR  17   6.718   5.291   5.325
  123   1HG2  THR  17          HG21      THR  17   3.899   4.677   3.575
  124   2HG2  THR  17          HG22      THR  17   4.831   3.331   2.920
  125   3HG2  THR  17          HG23      THR  17   4.583   4.784   1.952
  126    H    GLY  18           HN       GLY  18   5.728   3.640   5.383
  127   1HA   GLY  18           HA2      GLY  18   6.739   1.246   6.425
  128   2HA   GLY  18           HA1      GLY  18   5.053   1.741   6.595
  129    H    SER  19           HN       SER  19   3.497   0.730   5.331
  130    HA   SER  19           HA       SER  19   4.341  -0.953   3.060
  131   1HB   SER  19           HB2      SER  19   3.109  -2.937   4.044
  132   2HB   SER  19           HB1      SER  19   4.622  -2.535   4.851
  133    HG   SER  19           HG       SER  19   1.997  -2.309   5.722
  134    H    CYS  20           HN       CYS  20   2.220  -2.104   2.193
  135    HA   CYS  20           HA       CYS  20   0.418  -0.224   1.252
  136   1HB   CYS  20           HB2      CYS  20   0.151  -3.163   1.826
  137   2HB   CYS  20           HB1      CYS  20  -1.264  -2.253   1.292
  138    H    ARG  21           HN       ARG  21  -1.172   1.004   2.189
  139    HA   ARG  21           HA       ARG  21  -2.282   0.086   4.805
  140   1HB   ARG  21           HB2      ARG  21  -0.504   2.034   4.820
  141   2HB   ARG  21           HB1      ARG  21  -1.868   3.009   4.270
  142   1HG   ARG  21           HG2      ARG  21  -3.164   2.439   6.213
  143   2HG   ARG  21           HG1      ARG  21  -1.993   1.219   6.709
  144   1HD   ARG  21           HD2      ARG  21  -0.556   3.645   6.402
  145   2HD   ARG  21           HD1      ARG  21  -2.014   4.031   7.315
  146    HE   ARG  21           HE       ARG  21  -1.059   1.737   8.539
  147   1HH1  ARG  21          HH21      ARG  21   0.214   4.832   7.686
  148   2HH1  ARG  21          HH22      ARG  21   1.325   4.884   9.012
  149   1HH2  ARG  21          HH11      ARG  21   0.385   1.794  10.273
  150   2HH2  ARG  21          HH12      ARG  21   1.421   3.168  10.476
  151    H    SER  22           HN       SER  22  -4.496   0.424   5.038
  152    HA   SER  22           HA       SER  22  -6.693   0.667   4.223
  153   1HB   SER  22           HB2      SER  22  -5.750   3.237   2.971
  154   2HB   SER  22           HB1      SER  22  -7.285   2.894   3.764
  155    HG   SER  22           HG       SER  22  -6.115   2.724   5.731
  156    H    GLY  23           HN       GLY  23  -4.584  -0.535   2.409
  157   1HA   GLY  23           HA2      GLY  23  -4.930  -1.601   0.294
  158   2HA   GLY  23           HA1      GLY  23  -6.230  -0.458  -0.044
  159    H    LYS  24           HN       LYS  24  -4.376   1.791   0.843
  160    HA   LYS  24           HA       LYS  24  -2.926   1.974  -1.749
  161   1HB   LYS  24           HB2      LYS  24  -3.704   4.195   0.161
  162   2HB   LYS  24           HB1      LYS  24  -2.999   4.400  -1.443
  163   1HG   LYS  24           HG2      LYS  24  -4.954   3.853  -2.528
  164   2HG   LYS  24           HG1      LYS  24  -5.480   2.759  -1.248
  165   1HD   LYS  24           HD2      LYS  24  -5.329   5.390  -0.143
  166   2HD   LYS  24           HD1      LYS  24  -6.234   5.486  -1.654
  167   1HE   LYS  24           HE2      LYS  24  -8.005   4.400  -0.771
  168   2HE   LYS  24           HE1      LYS  24  -6.977   3.139  -0.088
  169   1HZ   LYS  24           HZ1      LYS  24  -7.871   4.175   1.761
  170   2HZ   LYS  24           HZ2      LYS  24  -7.753   5.731   1.086
  171   3HZ   LYS  24           HZ3      LYS  24  -6.355   4.923   1.617
  172   1H    CYS  25           H1       CYS  25   2.217   3.326   1.930
  173    H    CYS  25           HN       CYS  25  -0.813   3.225  -1.653
  174    HA   CYS  25           HA       CYS  25   0.876   2.031   0.388
  175   1HB   CYS  25           HB2      CYS  25   1.291   3.839  -1.955
  176   2HB   CYS  25           HB1      CYS  25   2.543   3.801  -0.716
  Start of MODEL    5
    1   2H    CYS   1           HT2      CYS   1  11.674   2.126  -5.186
    2   3H    CYS   1           HT3      CYS   1  10.420   2.153  -6.329
    3    HA   CYS   1           HA       CYS   1   9.175   0.979  -4.288
    4   1HB   CYS   1           HB2      CYS   1   9.765   2.282  -2.268
    5   2HB   CYS   1           HB1      CYS   1  11.085   1.242  -2.793
    6    H    LYS   2           HN       LYS   2   7.362   2.290  -3.628
    7    HA   LYS   2           HA       LYS   2   7.099   4.795  -5.238
    8   1HB   LYS   2           HB2      LYS   2   5.254   2.552  -4.556
    9   2HB   LYS   2           HB1      LYS   2   4.556   4.158  -4.745
   10   1HG   LYS   2           HG2      LYS   2   6.505   3.247  -6.812
   11   2HG   LYS   2           HG1      LYS   2   4.895   2.525  -6.831
   12   1HD   LYS   2           HD2      LYS   2   3.849   4.691  -7.024
   13   2HD   LYS   2           HD1      LYS   2   5.387   5.513  -6.757
   14   1HE   LYS   2           HE2      LYS   2   5.686   3.664  -8.935
   15   2HE   LYS   2           HE1      LYS   2   4.278   4.683  -9.234
   16   1HZ   LYS   2           HZ1      LYS   2   7.086   5.479  -8.834
   17   2HZ   LYS   2           HZ2      LYS   2   5.832   6.576  -8.504
   18   3HZ   LYS   2           HZ3      LYS   2   6.014   5.933 -10.066
   19    H    GLY   3           HN       GLY   3   4.840   5.865  -4.083
   20   1HA   GLY   3           HA2      GLY   3   5.574   6.232  -1.208
   21   2HA   GLY   3           HA1      GLY   3   5.247   7.626  -2.239
   22    H    LYS   4           HN       LYS   4   3.570   7.695  -0.236
   23    HA   LYS   4           HA       LYS   4   1.323   6.002  -0.192
   24   1HB   LYS   4           HB2      LYS   4   1.862   8.840   0.579
   25   2HB   LYS   4           HB1      LYS   4   0.212   8.253   0.595
   26   1HG   LYS   4           HG2      LYS   4   0.562   7.126   2.500
   27   2HG   LYS   4           HG1      LYS   4   1.965   6.313   1.812
   28   1HD   LYS   4           HD2      LYS   4   3.090   8.691   2.203
   29   2HD   LYS   4           HD1      LYS   4   1.830   8.827   3.429
   30   1HE   LYS   4           HE2      LYS   4   2.941   6.216   3.644
   31   2HE   LYS   4           HE1      LYS   4   4.284   7.353   3.559
   32   1HZ   LYS   4           HZ1      LYS   4   3.853   8.042   5.604
   33   2HZ   LYS   4           HZ2      LYS   4   2.685   6.817   5.745
   34   3HZ   LYS   4           HZ3      LYS   4   2.234   8.370   5.223
   35    H    GLY   5           HN       GLY   5  -0.742   6.221  -1.178
   36   1HA   GLY   5           HA2      GLY   5  -2.299   7.195  -2.749
   37   2HA   GLY   5           HA1      GLY   5  -0.971   8.146  -3.426
   38    H    ALA   6           HN       ALA   6   0.843   5.829  -3.428
   39    HA   ALA   6           HA       ALA   6   0.219   4.805  -6.051
   40   1HB   ALA   6           HB1      ALA   6   2.549   5.060  -5.160
   41   2HB   ALA   6           HB2      ALA   6   2.222   3.436  -5.767
   42   3HB   ALA   6           HB3      ALA   6   2.220   3.745  -4.029
   43    H    LYS   7           HN       LYS   7  -1.993   4.074  -5.363
   44    HA   LYS   7           HA       LYS   7  -2.879   2.239  -3.626
   45   1HB   LYS   7           HB2      LYS   7  -4.421   1.414  -5.266
   46   2HB   LYS   7           HB1      LYS   7  -4.091   3.097  -5.686
   47   1HG   LYS   7           HG2      LYS   7  -2.076   1.588  -6.943
   48   2HG   LYS   7           HG1      LYS   7  -3.573   0.713  -7.224
   49   1HD   LYS   7           HD2      LYS   7  -4.599   2.941  -7.924
   50   2HD   LYS   7           HD1      LYS   7  -2.955   3.581  -7.929
   51   1HE   LYS   7           HE2      LYS   7  -2.292   2.246  -9.716
   52   2HE   LYS   7           HE1      LYS   7  -3.532   1.033  -9.399
   53   1HZ   LYS   7           HZ1      LYS   7  -3.831   2.630 -11.370
   54   2HZ   LYS   7           HZ2      LYS   7  -4.291   3.766 -10.194
   55   3HZ   LYS   7           HZ3      LYS   7  -5.162   2.317 -10.368
   56    H    CYS   8           HN       CYS   8  -2.852  -0.056  -3.350
   57    HA   CYS   8           HA       CYS   8  -1.136  -1.708  -5.052
   58   1HB   CYS   8           HB2      CYS   8   0.452  -2.301  -3.274
   59   2HB   CYS   8           HB1      CYS   8   0.507  -0.567  -3.579
   60    H    SER   9           HN       SER   9  -0.727  -3.816  -3.252
   61    HA   SER   9           HA       SER   9  -3.527  -4.720  -2.885
   62   1HB   SER   9           HB2      SER   9  -1.741  -6.086  -4.127
   63   2HB   SER   9           HB1      SER   9  -1.026  -6.388  -2.547
   64    HG   SER   9           HG       SER   9  -3.599  -7.087  -3.504
   65    H    ARG  10           HN       ARG  10  -1.811  -6.653  -0.863
   66    HA   ARG  10           HA       ARG  10  -2.257  -4.823   1.459
   67   1HB   ARG  10           HB2      ARG  10  -3.750  -7.029   0.943
   68   2HB   ARG  10           HB1      ARG  10  -2.454  -7.749   1.901
   69   1HG   ARG  10           HG2      ARG  10  -2.841  -6.099   3.688
   70   2HG   ARG  10           HG1      ARG  10  -4.123  -5.354   2.730
   71   1HD   ARG  10           HD2      ARG  10  -5.564  -7.170   2.999
   72   2HD   ARG  10           HD1      ARG  10  -4.247  -8.293   3.340
   73    HE   ARG  10           HE       ARG  10  -4.150  -6.520   5.461
   74   1HH1  ARG  10          HH21      ARG  10  -6.588  -8.449   3.954
   75   2HH1  ARG  10          HH22      ARG  10  -7.464  -8.719   5.423
   76   1HH2  ARG  10          HH11      ARG  10  -5.281  -6.865   7.379
   77   2HH2  ARG  10          HH12      ARG  10  -6.724  -7.824   7.364
   78    H    LEU  11           HN       LEU  11  -0.258  -7.343   0.012
   79    HA   LEU  11           HA       LEU  11   1.842  -6.675   2.022
   80   1HB   LEU  11           HB2      LEU  11   0.623  -9.285   1.435
   81   2HB   LEU  11           HB1      LEU  11   2.386  -9.293   1.392
   82    HG   LEU  11           HG       LEU  11   1.690  -7.738   3.633
   83   1HD1  LEU  11          HD11      LEU  11   0.204  -9.142   4.914
   84   2HD1  LEU  11          HD12      LEU  11   0.182 -10.364   3.643
   85   3HD1  LEU  11          HD13      LEU  11  -0.586  -8.800   3.375
   86   1HD2  LEU  11          HD21      LEU  11   3.420  -9.771   2.978
   87   2HD2  LEU  11          HD22      LEU  11   2.342 -10.573   4.120
   88   3HD2  LEU  11          HD23      LEU  11   3.217  -9.120   4.604
   89    H    MET  12           HN       MET  12   1.214  -6.045  -0.954
   90    HA   MET  12           HA       MET  12   3.159  -7.335  -2.587
   91   1HB   MET  12           HB2      MET  12   1.945  -4.565  -2.685
   92   2HB   MET  12           HB1      MET  12   3.073  -5.145  -3.911
   93   1HG   MET  12           HG2      MET  12   1.033  -7.135  -3.411
   94   2HG   MET  12           HG1      MET  12   0.291  -5.590  -3.822
   95   1HE   MET  12           HE1      MET  12   2.715  -8.287  -4.567
   96   2HE   MET  12           HE2      MET  12   3.869  -7.050  -5.063
   97   3HE   MET  12           HE3      MET  12   3.181  -8.137  -6.269
   98    H    TYR  13           HN       TYR  13   3.444  -4.887  -0.126
   99    HA   TYR  13           HA       TYR  13   5.305  -3.745   0.728
  100   1HB   TYR  13           HB2      TYR  13   6.338  -6.398  -0.182
  101   2HB   TYR  13           HB1      TYR  13   7.513  -5.169   0.285
  102    HD1  TYR  13           HD1      TYR  13   4.156  -5.162   1.751
  103    HD2  TYR  13           HD2      TYR  13   8.215  -6.472   2.262
  104    HE1  TYR  13           HE1      TYR  13   3.703  -5.630   4.142
  105    HE2  TYR  13           HE2      TYR  13   7.763  -6.939   4.654
  106    HH   TYR  13           HH       TYR  13   5.040  -7.441   5.943
  107    H    ASP  14           HN       ASP  14   4.985  -2.071  -0.916
  108    HA   ASP  14           HA       ASP  14   7.286  -1.968  -2.806
  109   1HB   ASP  14           HB2      ASP  14   4.367  -1.447  -3.387
  110   2HB   ASP  14           HB1      ASP  14   5.650  -0.756  -4.379
  111    H    CYS  15           HN       CYS  15   4.773  -0.232  -1.011
  112    HA   CYS  15           HA       CYS  15   5.402   2.427  -1.490
  113   1HB   CYS  15           HB2      CYS  15   5.077   1.447   1.349
  114   2HB   CYS  15           HB1      CYS  15   4.546   2.972   0.644
  115    H    CYS  16           HN       CYS  16   7.168   3.558  -1.391
  116    HA   CYS  16           HA       CYS  16   9.685   2.533  -0.463
  117   1HB   CYS  16           HB2      CYS  16   9.048   4.388  -2.229
  118   2HB   CYS  16           HB1      CYS  16   9.148   5.459  -0.836
  119    H    THR  17           HN       THR  17   7.117   4.330   1.047
  120    HA   THR  17           HA       THR  17   8.760   4.456   3.539
  121    HB   THR  17           HB       THR  17   7.337   6.575   4.027
  122    HG1  THR  17           HG1      THR  17   6.170   7.283   2.443
  123   1HG2  THR  17          HG21      THR  17   9.856   6.219   3.094
  124   2HG2  THR  17          HG22      THR  17   9.162   7.806   3.426
  125   3HG2  THR  17          HG23      THR  17   9.172   7.175   1.780
  126    H    GLY  18           HN       GLY  18   7.758   2.610   4.413
  127   1HA   GLY  18           HA2      GLY  18   6.032   1.993   6.040
  128   2HA   GLY  18           HA1      GLY  18   4.890   2.991   5.139
  129    H    SER  19           HN       SER  19   3.566   0.954   5.198
  130    HA   SER  19           HA       SER  19   4.321  -0.797   2.895
  131   1HB   SER  19           HB2      SER  19   3.558  -2.740   4.040
  132   2HB   SER  19           HB1      SER  19   4.556  -1.884   5.212
  133    HG   SER  19           HG       SER  19   2.405  -0.849   5.763
  134    H    CYS  20           HN       CYS  20   2.278  -2.004   2.092
  135    HA   CYS  20           HA       CYS  20   0.380  -0.280   1.052
  136   1HB   CYS  20           HB2      CYS  20   0.264  -3.185   1.816
  137   2HB   CYS  20           HB1      CYS  20  -1.197  -2.386   1.238
  138    H    ARG  21           HN       ARG  21  -1.301   0.904   1.922
  139    HA   ARG  21           HA       ARG  21  -2.184   0.161   4.684
  140   1HB   ARG  21           HB2      ARG  21  -0.848   2.330   4.455
  141   2HB   ARG  21           HB1      ARG  21  -2.232   2.972   3.572
  142   1HG   ARG  21           HG2      ARG  21  -3.677   2.704   5.456
  143   2HG   ARG  21           HG1      ARG  21  -2.499   1.708   6.306
  144   1HD   ARG  21           HD2      ARG  21  -1.072   4.017   5.832
  145   2HD   ARG  21           HD1      ARG  21  -2.695   4.636   6.131
  146    HE   ARG  21           HE       ARG  21  -2.264   2.793   8.176
  147   1HH1  ARG  21          HH21      ARG  21  -0.682   5.591   6.913
  148   2HH1  ARG  21          HH22      ARG  21   0.005   6.050   8.435
  149   1HH2  ARG  21          HH11      ARG  21  -1.372   3.382  10.168
  150   2HH2  ARG  21          HH12      ARG  21  -0.382   4.799  10.274
  151    H    SER  22           HN       SER  22  -4.326  -0.242   4.870
  152    HA   SER  22           HA       SER  22  -6.540  -0.606   4.168
  153   1HB   SER  22           HB2      SER  22  -6.152   2.213   3.119
  154   2HB   SER  22           HB1      SER  22  -7.698   1.432   3.441
  155    HG   SER  22           HG       SER  22  -7.456   1.964   5.452
  156    H    GLY  23           HN       GLY  23  -4.255  -1.144   2.201
  157   1HA   GLY  23           HA2      GLY  23  -4.613  -2.380   0.130
  158   2HA   GLY  23           HA1      GLY  23  -6.014  -1.357  -0.192
  159    H    LYS  24           HN       LYS  24  -4.694   1.158   0.431
  160    HA   LYS  24           HA       LYS  24  -3.120   1.398  -2.066
  161   1HB   LYS  24           HB2      LYS  24  -4.374   3.463  -0.235
  162   2HB   LYS  24           HB1      LYS  24  -3.384   3.878  -1.637
  163   1HG   LYS  24           HG2      LYS  24  -4.943   2.962  -3.156
  164   2HG   LYS  24           HG1      LYS  24  -5.758   2.036  -1.898
  165   1HD   LYS  24           HD2      LYS  24  -6.808   3.956  -0.999
  166   2HD   LYS  24           HD1      LYS  24  -5.693   5.052  -1.813
  167   1HE   LYS  24           HE2      LYS  24  -7.082   5.185  -3.575
  168   2HE   LYS  24           HE1      LYS  24  -6.986   3.438  -3.798
  169   1HZ   LYS  24           HZ1      LYS  24  -8.822   3.085  -2.446
  170   2HZ   LYS  24           HZ2      LYS  24  -9.261   4.468  -3.327
  171   3HZ   LYS  24           HZ3      LYS  24  -8.725   4.615  -1.722
  172   1H    CYS  25           H1       CYS  25   1.914   3.410   1.532
  173    H    CYS  25           HN       CYS  25  -1.093   2.713  -2.012
  174    HA   CYS  25           HA       CYS  25   0.668   1.826   0.067
  175   1HB   CYS  25           HB2      CYS  25   0.878   3.487  -2.332
  176   2HB   CYS  25           HB1      CYS  25   1.896   4.073  -1.021
  Start of MODEL    6
    1   2H    CYS   1           HT2      CYS   1  11.545   2.139  -5.443
    2   3H    CYS   1           HT3      CYS   1  10.708   3.579  -5.784
    3    HA   CYS   1           HA       CYS   1   9.269   1.182  -4.836
    4   1HB   CYS   1           HB2      CYS   1   9.440   2.469  -2.565
    5   2HB   CYS   1           HB1      CYS   1  10.767   1.415  -3.053
    6    H    LYS   2           HN       LYS   2   7.137   1.742  -4.233
    7    HA   LYS   2           HA       LYS   2   6.088   4.120  -5.511
    8   1HB   LYS   2           HB2      LYS   2   4.967   1.779  -4.054
    9   2HB   LYS   2           HB1      LYS   2   3.968   3.231  -4.151
   10   1HG   LYS   2           HG2      LYS   2   3.592   1.664  -6.065
   11   2HG   LYS   2           HG1      LYS   2   4.159   3.255  -6.571
   12   1HD   LYS   2           HD2      LYS   2   6.325   1.353  -5.990
   13   2HD   LYS   2           HD1      LYS   2   5.301   0.881  -7.339
   14   1HE   LYS   2           HE2      LYS   2   6.894   3.423  -7.024
   15   2HE   LYS   2           HE1      LYS   2   6.996   2.225  -8.313
   16   1HZ   LYS   2           HZ1      LYS   2   5.118   4.400  -7.953
   17   2HZ   LYS   2           HZ2      LYS   2   4.430   2.933  -8.466
   18   3HZ   LYS   2           HZ3      LYS   2   5.665   3.661  -9.377
   19    H    GLY   3           HN       GLY   3   4.822   5.781  -4.367
   20   1HA   GLY   3           HA2      GLY   3   6.038   6.411  -1.726
   21   2HA   GLY   3           HA1      GLY   3   5.239   7.575  -2.783
   22    H    LYS   4           HN       LYS   4   4.582   7.221  -0.003
   23    HA   LYS   4           HA       LYS   4   2.481   5.551   0.645
   24   1HB   LYS   4           HB2      LYS   4   3.555   7.908   1.708
   25   2HB   LYS   4           HB1      LYS   4   1.833   8.233   1.518
   26   1HG   LYS   4           HG2      LYS   4   1.718   5.726   2.503
   27   2HG   LYS   4           HG1      LYS   4   3.208   6.268   3.266
   28   1HD   LYS   4           HD2      LYS   4   1.965   7.348   4.799
   29   2HD   LYS   4           HD1      LYS   4   1.403   8.419   3.516
   30   1HE   LYS   4           HE2      LYS   4  -0.422   6.840   2.995
   31   2HE   LYS   4           HE1      LYS   4   0.137   5.771   4.282
   32   1HZ   LYS   4           HZ1      LYS   4  -1.557   7.037   5.237
   33   2HZ   LYS   4           HZ2      LYS   4  -1.018   8.481   4.522
   34   3HZ   LYS   4           HZ3      LYS   4  -0.131   7.773   5.786
   35    H    GLY   5           HN       GLY   5   0.188   5.817   0.601
   36   1HA   GLY   5           HA2      GLY   5  -1.836   6.129  -0.548
   37   2HA   GLY   5           HA1      GLY   5  -1.263   7.772  -0.828
   38    H    ALA   6           HN       ALA   6   0.886   5.453  -2.114
   39    HA   ALA   6           HA       ALA   6   0.155   6.243  -4.828
   40   1HB   ALA   6           HB1      ALA   6   2.273   4.336  -3.807
   41   2HB   ALA   6           HB2      ALA   6   2.515   6.032  -4.224
   42   3HB   ALA   6           HB3      ALA   6   2.110   4.862  -5.482
   43    H    LYS   7           HN       LYS   7  -1.654   4.416  -3.156
   44    HA   LYS   7           HA       LYS   7  -2.989   2.566  -3.510
   45   1HB   LYS   7           HB2      LYS   7  -2.702   3.885  -5.957
   46   2HB   LYS   7           HB1      LYS   7  -2.460   2.170  -6.318
   47   1HG   LYS   7           HG2      LYS   7  -4.518   2.144  -4.485
   48   2HG   LYS   7           HG1      LYS   7  -4.878   3.558  -5.458
   49   1HD   LYS   7           HD2      LYS   7  -5.322   2.333  -7.334
   50   2HD   LYS   7           HD1      LYS   7  -4.034   1.178  -6.993
   51   1HE   LYS   7           HE2      LYS   7  -5.378  -0.106  -5.572
   52   2HE   LYS   7           HE1      LYS   7  -6.496   1.226  -5.267
   53   1HZ   LYS   7           HZ1      LYS   7  -7.760   0.321  -6.834
   54   2HZ   LYS   7           HZ2      LYS   7  -6.529  -0.732  -7.347
   55   3HZ   LYS   7           HZ3      LYS   7  -6.613   0.847  -7.966
   56    H    CYS   8           HN       CYS   8  -2.902   0.296  -3.772
   57    HA   CYS   8           HA       CYS   8  -0.794  -1.154  -4.984
   58   1HB   CYS   8           HB2      CYS   8   0.645  -1.699  -3.144
   59   2HB   CYS   8           HB1      CYS   8   0.543   0.053  -3.208
   60    H    SER   9           HN       SER   9  -0.543  -3.136  -2.809
   61    HA   SER   9           HA       SER   9  -3.348  -4.170  -2.864
   62   1HB   SER   9           HB2      SER   9  -0.721  -5.684  -2.892
   63   2HB   SER   9           HB1      SER   9  -2.311  -6.437  -2.798
   64    HG   SER   9           HG       SER   9  -2.784  -5.653  -4.815
   65    H    ARG  10           HN       ARG  10  -1.606  -6.276  -1.014
   66    HA   ARG  10           HA       ARG  10  -2.242  -4.753   1.479
   67   1HB   ARG  10           HB2      ARG  10  -2.167  -7.758   1.348
   68   2HB   ARG  10           HB1      ARG  10  -3.033  -6.721   2.481
   69   1HG   ARG  10           HG2      ARG  10  -3.674  -6.939  -0.474
   70   2HG   ARG  10           HG1      ARG  10  -4.546  -7.788   0.802
   71   1HD   ARG  10           HD2      ARG  10  -4.234  -4.776   0.671
   72   2HD   ARG  10           HD1      ARG  10  -5.656  -5.651   0.099
   73    HE   ARG  10           HE       ARG  10  -5.350  -6.528   2.708
   74   1HH1  ARG  10          HH21      ARG  10  -5.563  -3.473   1.109
   75   2HH1  ARG  10          HH22      ARG  10  -6.313  -2.678   2.451
   76   1HH2  ARG  10          HH11      ARG  10  -6.329  -5.499   4.465
   77   2HH2  ARG  10          HH12      ARG  10  -6.747  -3.822   4.348
   78    H    LEU  11           HN       LEU  11  -0.044  -7.137   0.002
   79    HA   LEU  11           HA       LEU  11   2.129  -6.093   1.707
   80   1HB   LEU  11           HB2      LEU  11   0.928  -8.810   1.967
   81   2HB   LEU  11           HB1      LEU  11   2.686  -8.698   2.049
   82    HG   LEU  11           HG       LEU  11   1.803  -6.578   3.630
   83   1HD1  LEU  11          HD11      LEU  11  -0.448  -7.971   3.389
   84   2HD1  LEU  11          HD12      LEU  11   0.016  -7.260   4.935
   85   3HD1  LEU  11          HD13      LEU  11   0.311  -8.972   4.629
   86   1HD2  LEU  11          HD21      LEU  11   2.824  -9.360   4.190
   87   2HD2  LEU  11          HD22      LEU  11   2.477  -8.244   5.512
   88   3HD2  LEU  11          HD23      LEU  11   3.689  -7.828   4.300
   89    H    MET  12           HN       MET  12   2.483  -5.410  -0.666
   90    HA   MET  12           HA       MET  12   3.692  -7.617  -2.262
   91   1HB   MET  12           HB2      MET  12   2.714  -4.846  -2.958
   92   2HB   MET  12           HB1      MET  12   3.754  -5.756  -4.054
   93   1HG   MET  12           HG2      MET  12   2.093  -7.662  -3.887
   94   2HG   MET  12           HG1      MET  12   1.018  -6.556  -3.032
   95   1HE   MET  12           HE1      MET  12   0.954  -4.256  -3.665
   96   2HE   MET  12           HE2      MET  12  -0.165  -4.045  -5.009
   97   3HE   MET  12           HE3      MET  12   1.520  -3.567  -5.194
   98    H    TYR  13           HN       TYR  13   4.568  -5.180  -0.116
   99    HA   TYR  13           HA       TYR  13   6.659  -4.305   0.487
  100   1HB   TYR  13           HB2      TYR  13   7.997  -6.158  -1.460
  101   2HB   TYR  13           HB1      TYR  13   8.520  -5.669   0.151
  102    HD1  TYR  13           HD1      TYR  13   6.977  -6.400   2.136
  103    HD2  TYR  13           HD2      TYR  13   6.939  -8.220  -1.753
  104    HE1  TYR  13           HE1      TYR  13   5.918  -8.426   3.095
  105    HE2  TYR  13           HE2      TYR  13   5.880 -10.246  -0.796
  106    HH   TYR  13           HH       TYR  13   5.577 -11.359   1.273
  107    H    ASP  14           HN       ASP  14   5.369  -2.766  -1.318
  108    HA   ASP  14           HA       ASP  14   7.542  -1.997  -3.223
  109   1HB   ASP  14           HB2      ASP  14   5.496  -1.044  -4.576
  110   2HB   ASP  14           HB1      ASP  14   5.909  -2.754  -4.704
  111    H    CYS  15           HN       CYS  15   5.612  -1.067  -0.597
  112    HA   CYS  15           HA       CYS  15   5.363   1.753  -1.233
  113   1HB   CYS  15           HB2      CYS  15   5.316   0.376   1.463
  114   2HB   CYS  15           HB1      CYS  15   4.812   2.034   1.135
  115    H    CYS  16           HN       CYS  16   6.936   3.118  -1.331
  116    HA   CYS  16           HA       CYS  16   9.632   2.556  -0.513
  117   1HB   CYS  16           HB2      CYS  16   8.676   4.163  -2.343
  118   2HB   CYS  16           HB1      CYS  16   8.604   5.324  -1.024
  119    H    THR  17           HN       THR  17   6.912   3.710   1.242
  120    HA   THR  17           HA       THR  17   8.767   4.755   3.346
  121    HB   THR  17           HB       THR  17   7.115   6.368   3.979
  122    HG1  THR  17           HG1      THR  17   5.069   6.224   3.380
  123   1HG2  THR  17          HG21      THR  17   7.018   7.723   2.024
  124   2HG2  THR  17          HG22      THR  17   7.002   6.317   0.961
  125   3HG2  THR  17          HG23      THR  17   8.471   6.740   1.840
  126    H    GLY  18           HN       GLY  18   6.859   2.131   2.711
  127   1HA   GLY  18           HA2      GLY  18   6.923   1.088   5.307
  128   2HA   GLY  18           HA1      GLY  18   5.388   1.945   5.201
  129    H    SER  19           HN       SER  19   3.763   0.560   4.759
  130    HA   SER  19           HA       SER  19   4.239  -1.542   2.692
  131   1HB   SER  19           HB2      SER  19   3.929  -2.065   5.405
  132   2HB   SER  19           HB1      SER  19   2.315  -2.322   4.750
  133    HG   SER  19           HG       SER  19   3.431  -3.600   3.087
  134    H    CYS  20           HN       CYS  20   1.622  -2.598   2.770
  135    HA   CYS  20           HA       CYS  20   0.191  -0.448   1.371
  136   1HB   CYS  20           HB2      CYS  20  -0.167  -3.409   1.689
  137   2HB   CYS  20           HB1      CYS  20  -1.526  -2.428   1.142
  138    H    ARG  21           HN       ARG  21  -1.401   0.750   2.269
  139    HA   ARG  21           HA       ARG  21  -2.765  -0.300   4.708
  140   1HB   ARG  21           HB2      ARG  21  -0.972   1.788   4.754
  141   2HB   ARG  21           HB1      ARG  21  -2.509   2.628   4.554
  142   1HG   ARG  21           HG2      ARG  21  -2.856   0.534   6.481
  143   2HG   ARG  21           HG1      ARG  21  -1.444   1.489   6.933
  144   1HD   ARG  21           HD2      ARG  21  -3.116   2.749   7.926
  145   2HD   ARG  21           HD1      ARG  21  -3.047   3.520   6.340
  146    HE   ARG  21           HE       ARG  21  -4.914   1.511   5.997
  147   1HH1  ARG  21          HH21      ARG  21  -4.420   4.087   8.248
  148   2HH1  ARG  21          HH22      ARG  21  -6.109   4.325   8.543
  149   1HH2  ARG  21          HH11      ARG  21  -7.119   1.814   6.376
  150   2HH2  ARG  21          HH12      ARG  21  -7.635   3.040   7.485
  151    H    SER  22           HN       SER  22  -4.981   0.102   4.754
  152    HA   SER  22           HA       SER  22  -7.084   0.436   3.744
  153   1HB   SER  22           HB2      SER  22  -6.371   2.764   4.468
  154   2HB   SER  22           HB1      SER  22  -5.814   3.026   2.818
  155    HG   SER  22           HG       SER  22  -8.122   2.145   2.395
  156    H    GLY  23           HN       GLY  23  -4.817  -0.738   2.070
  157   1HA   GLY  23           HA2      GLY  23  -5.084  -1.731  -0.110
  158   2HA   GLY  23           HA1      GLY  23  -6.225  -0.453  -0.524
  159    H    LYS  24           HN       LYS  24  -4.487   1.706   0.441
  160    HA   LYS  24           HA       LYS  24  -2.675   1.781  -1.901
  161   1HB   LYS  24           HB2      LYS  24  -3.351   4.019   0.025
  162   2HB   LYS  24           HB1      LYS  24  -2.595   4.170  -1.562
  163   1HG   LYS  24           HG2      LYS  24  -4.580   4.045  -2.644
  164   2HG   LYS  24           HG1      LYS  24  -5.152   2.727  -1.620
  165   1HD   LYS  24           HD2      LYS  24  -5.726   4.294   0.155
  166   2HD   LYS  24           HD1      LYS  24  -5.049   5.635  -0.771
  167   1HE   LYS  24           HE2      LYS  24  -7.371   5.768  -1.199
  168   2HE   LYS  24           HE1      LYS  24  -6.724   4.947  -2.619
  169   1HZ   LYS  24           HZ1      LYS  24  -8.766   3.974  -1.386
  170   2HZ   LYS  24           HZ2      LYS  24  -7.607   3.364  -0.305
  171   3HZ   LYS  24           HZ3      LYS  24  -7.551   2.931  -1.946
  172   1H    CYS  25           H1       CYS  25   2.427   2.776   2.150
  173    H    CYS  25           HN       CYS  25  -0.532   3.002  -1.457
  174    HA   CYS  25           HA       CYS  25   0.963   1.480   0.484
  175   1HB   CYS  25           HB2      CYS  25   1.520   3.567  -1.530
  176   2HB   CYS  25           HB1      CYS  25   2.604   3.581  -0.139
  Start of MODEL    7
    1   2H    CYS   1           HT2      CYS   1  10.869   3.474  -6.091
    2   3H    CYS   1           HT3      CYS   1  10.590   1.900  -6.668
    3    HA   CYS   1           HA       CYS   1   9.447   1.245  -4.824
    4   1HB   CYS   1           HB2      CYS   1   9.730   2.676  -2.662
    5   2HB   CYS   1           HB1      CYS   1  11.015   1.552  -3.106
    6    H    LYS   2           HN       LYS   2   7.353   1.929  -4.295
    7    HA   LYS   2           HA       LYS   2   6.454   4.368  -5.637
    8   1HB   LYS   2           HB2      LYS   2   5.150   2.039  -4.276
    9   2HB   LYS   2           HB1      LYS   2   4.215   3.514  -4.514
   10   1HG   LYS   2           HG2      LYS   2   3.925   1.966  -6.415
   11   2HG   LYS   2           HG1      LYS   2   4.726   3.451  -6.927
   12   1HD   LYS   2           HD2      LYS   2   6.839   2.406  -7.063
   13   2HD   LYS   2           HD1      LYS   2   6.319   1.033  -6.086
   14   1HE   LYS   2           HE2      LYS   2   6.281   0.153  -8.263
   15   2HE   LYS   2           HE1      LYS   2   4.601   0.624  -8.008
   16   1HZ   LYS   2           HZ1      LYS   2   5.392   2.860  -8.997
   17   2HZ   LYS   2           HZ2      LYS   2   5.070   1.558 -10.040
   18   3HZ   LYS   2           HZ3      LYS   2   6.673   1.943  -9.628
   19    H    GLY   3           HN       GLY   3   5.188   6.037  -4.512
   20   1HA   GLY   3           HA2      GLY   3   6.315   6.610  -1.839
   21   2HA   GLY   3           HA1      GLY   3   5.382   7.734  -2.830
   22    H    LYS   4           HN       LYS   4   4.776   7.317  -0.075
   23    HA   LYS   4           HA       LYS   4   2.828   5.383   0.467
   24   1HB   LYS   4           HB2      LYS   4   2.358   6.619   2.369
   25   2HB   LYS   4           HB1      LYS   4   3.969   7.183   1.979
   26   1HG   LYS   4           HG2      LYS   4   2.684   8.989   0.566
   27   2HG   LYS   4           HG1      LYS   4   1.345   8.586   1.636
   28   1HD   LYS   4           HD2      LYS   4   2.362  10.277   2.861
   29   2HD   LYS   4           HD1      LYS   4   3.185   8.861   3.521
   30   1HE   LYS   4           HE2      LYS   4   4.747   9.409   1.347
   31   2HE   LYS   4           HE1      LYS   4   4.246  11.031   1.823
   32   1HZ   LYS   4           HZ1      LYS   4   6.306  10.159   2.924
   33   2HZ   LYS   4           HZ2      LYS   4   5.316   9.051   3.748
   34   3HZ   LYS   4           HZ3      LYS   4   5.103  10.721   3.978
   35    H    GLY   5           HN       GLY   5   0.506   5.571   0.514
   36   1HA   GLY   5           HA2      GLY   5  -1.585   6.076  -0.429
   37   2HA   GLY   5           HA1      GLY   5  -0.949   7.688  -0.751
   38    H    ALA   6           HN       ALA   6   1.092   5.405  -2.146
   39    HA   ALA   6           HA       ALA   6   0.182   6.131  -4.824
   40   1HB   ALA   6           HB1      ALA   6   2.579   5.947  -4.330
   41   2HB   ALA   6           HB2      ALA   6   2.116   4.787  -5.577
   42   3HB   ALA   6           HB3      ALA   6   2.372   4.244  -3.917
   43    H    LYS   7           HN       LYS   7  -1.588   4.370  -3.104
   44    HA   LYS   7           HA       LYS   7  -2.924   2.505  -3.361
   45   1HB   LYS   7           HB2      LYS   7  -2.636   3.712  -5.879
   46   2HB   LYS   7           HB1      LYS   7  -2.467   1.973  -6.149
   47   1HG   LYS   7           HG2      LYS   7  -4.503   2.143  -4.284
   48   2HG   LYS   7           HG1      LYS   7  -4.820   3.497  -5.353
   49   1HD   LYS   7           HD2      LYS   7  -4.266   0.707  -6.377
   50   2HD   LYS   7           HD1      LYS   7  -5.894   1.306  -6.063
   51   1HE   LYS   7           HE2      LYS   7  -3.893   2.326  -8.082
   52   2HE   LYS   7           HE1      LYS   7  -5.526   1.730  -8.371
   53   1HZ   LYS   7           HZ1      LYS   7  -4.716   4.264  -7.070
   54   2HZ   LYS   7           HZ2      LYS   7  -6.295   3.647  -6.964
   55   3HZ   LYS   7           HZ3      LYS   7  -5.644   4.062  -8.477
   56    H    CYS   8           HN       CYS   8  -2.888   0.208  -3.678
   57    HA   CYS   8           HA       CYS   8  -0.710  -1.233  -4.798
   58   1HB   CYS   8           HB2      CYS   8   0.603  -1.832  -2.902
   59   2HB   CYS   8           HB1      CYS   8   0.471  -0.080  -2.860
   60    H    SER   9           HN       SER   9  -0.623  -3.391  -2.913
   61    HA   SER   9           HA       SER   9  -3.436  -4.345  -3.170
   62   1HB   SER   9           HB2      SER   9  -2.104  -5.829  -4.397
   63   2HB   SER   9           HB1      SER   9  -0.772  -5.725  -3.251
   64    HG   SER   9           HG       SER   9  -2.934  -7.378  -3.280
   65    H    ARG  10           HN       ARG  10  -1.299  -6.151  -1.181
   66    HA   ARG  10           HA       ARG  10  -2.379  -4.880   1.279
   67   1HB   ARG  10           HB2      ARG  10  -3.666  -7.022   0.352
   68   2HB   ARG  10           HB1      ARG  10  -2.343  -7.866   1.159
   69   1HG   ARG  10           HG2      ARG  10  -2.918  -6.196   3.135
   70   2HG   ARG  10           HG1      ARG  10  -4.491  -6.145   2.338
   71   1HD   ARG  10           HD2      ARG  10  -4.206  -8.777   2.314
   72   2HD   ARG  10           HD1      ARG  10  -3.112  -8.453   3.659
   73    HE   ARG  10           HE       ARG  10  -5.380  -7.014   4.315
   74   1HH1  ARG  10          HH21      ARG  10  -4.683 -10.268   3.384
   75   2HH1  ARG  10          HH22      ARG  10  -5.984 -10.944   4.306
   76   1HH2  ARG  10          HH11      ARG  10  -7.078  -7.889   5.518
   77   2HH2  ARG  10          HH12      ARG  10  -7.336  -9.602   5.512
   78    H    LEU  11           HN       LEU  11  -0.166  -7.348  -0.058
   79    HA   LEU  11           HA       LEU  11   1.836  -6.460   1.956
   80   1HB   LEU  11           HB2      LEU  11   0.666  -9.183   1.645
   81   2HB   LEU  11           HB1      LEU  11   2.403  -9.085   1.942
   82    HG   LEU  11           HG       LEU  11   1.334  -7.247   3.733
   83   1HD1  LEU  11          HD11      LEU  11  -0.447  -8.447   4.905
   84   2HD1  LEU  11          HD12      LEU  11  -0.367  -9.759   3.729
   85   3HD1  LEU  11          HD13      LEU  11  -0.927  -8.162   3.232
   86   1HD2  LEU  11          HD21      LEU  11   2.148 -10.149   4.049
   87   2HD2  LEU  11          HD22      LEU  11   1.869  -9.071   5.416
   88   3HD2  LEU  11          HD23      LEU  11   3.164  -8.724   4.269
   89    H    MET  12           HN       MET  12   1.684  -5.835  -0.843
   90    HA   MET  12           HA       MET  12   3.509  -7.618  -2.272
   91   1HB   MET  12           HB2      MET  12   2.411  -4.865  -2.905
   92   2HB   MET  12           HB1      MET  12   3.484  -5.757  -3.986
   93   1HG   MET  12           HG2      MET  12   1.078  -7.183  -2.942
   94   2HG   MET  12           HG1      MET  12   0.828  -5.957  -4.185
   95   1HE   MET  12           HE1      MET  12   0.590  -8.982  -6.445
   96   2HE   MET  12           HE2      MET  12  -0.043  -7.404  -5.988
   97   3HE   MET  12           HE3      MET  12  -0.092  -8.731  -4.833
   98    H    TYR  13           HN       TYR  13   3.783  -4.869  -0.184
   99    HA   TYR  13           HA       TYR  13   5.664  -3.740   0.637
  100   1HB   TYR  13           HB2      TYR  13   6.937  -6.250  -0.465
  101   2HB   TYR  13           HB1      TYR  13   7.867  -5.007   0.371
  102    HD1  TYR  13           HD1      TYR  13   6.501  -4.122   2.602
  103    HD2  TYR  13           HD2      TYR  13   6.321  -8.047   0.869
  104    HE1  TYR  13           HE1      TYR  13   5.785  -5.054   4.784
  105    HE2  TYR  13           HE2      TYR  13   5.607  -8.979   3.049
  106    HH   TYR  13           HH       TYR  13   5.140  -6.867   5.888
  107    H    ASP  14           HN       ASP  14   5.064  -2.202  -1.183
  108    HA   ASP  14           HA       ASP  14   7.406  -1.936  -3.012
  109   1HB   ASP  14           HB2      ASP  14   5.409  -0.829  -4.510
  110   2HB   ASP  14           HB1      ASP  14   5.989  -2.480  -4.714
  111    H    CYS  15           HN       CYS  15   5.960  -0.648  -0.466
  112    HA   CYS  15           HA       CYS  15   5.754   2.142  -1.397
  113   1HB   CYS  15           HB2      CYS  15   5.676   1.150   1.460
  114   2HB   CYS  15           HB1      CYS  15   5.018   2.655   0.813
  115    H    CYS  16           HN       CYS  16   7.374   3.478  -1.439
  116    HA   CYS  16           HA       CYS  16  10.043   2.749  -0.700
  117   1HB   CYS  16           HB2      CYS  16   9.079   4.499  -2.421
  118   2HB   CYS  16           HB1      CYS  16   9.180   5.593  -1.047
  119    H    THR  17           HN       THR  17   7.429   4.282   1.019
  120    HA   THR  17           HA       THR  17   9.075   4.306   3.463
  121    HB   THR  17           HB       THR  17   9.574   6.520   2.708
  122    HG1  THR  17           HG1      THR  17   8.594   7.717   4.301
  123   1HG2  THR  17          HG21      THR  17   6.941   7.652   2.425
  124   2HG2  THR  17          HG22      THR  17   7.104   6.259   1.356
  125   3HG2  THR  17          HG23      THR  17   8.250   7.595   1.246
  126    H    GLY  18           HN       GLY  18   7.318   2.564   3.645
  127   1HA   GLY  18           HA2      GLY  18   5.478   2.964   5.573
  128   2HA   GLY  18           HA1      GLY  18   4.611   3.611   4.179
  129    H    SER  19           HN       SER  19   3.131   1.739   4.815
  130    HA   SER  19           HA       SER  19   3.943  -0.654   3.239
  131   1HB   SER  19           HB2      SER  19   4.279  -1.116   5.680
  132   2HB   SER  19           HB1      SER  19   2.570  -0.782   5.942
  133    HG   SER  19           HG       SER  19   2.929  -3.003   5.647
  134    H    CYS  20           HN       CYS  20   2.011  -1.942   2.559
  135    HA   CYS  20           HA       CYS  20  -0.010  -0.374   1.404
  136   1HB   CYS  20           HB2      CYS  20   0.207  -3.280   2.097
  137   2HB   CYS  20           HB1      CYS  20  -1.353  -2.654   1.567
  138    H    ARG  21           HN       ARG  21  -1.751   0.667   2.265
  139    HA   ARG  21           HA       ARG  21  -2.878  -0.332   4.831
  140   1HB   ARG  21           HB2      ARG  21  -1.324   1.473   5.412
  141   2HB   ARG  21           HB1      ARG  21  -2.107   2.544   4.251
  142   1HG   ARG  21           HG2      ARG  21  -3.598   3.137   5.823
  143   2HG   ARG  21           HG1      ARG  21  -4.145   1.462   5.918
  144   1HD   ARG  21           HD2      ARG  21  -3.417   2.174   8.129
  145   2HD   ARG  21           HD1      ARG  21  -2.271   0.988   7.502
  146    HE   ARG  21           HE       ARG  21  -1.195   3.419   6.725
  147   1HH1  ARG  21          HH21      ARG  21  -2.304   2.012   9.677
  148   2HH1  ARG  21          HH22      ARG  21  -1.186   2.891  10.665
  149   1HH2  ARG  21          HH11      ARG  21   0.264   4.571   8.004
  150   2HH2  ARG  21          HH12      ARG  21   0.265   4.339   9.720
  151    H    SER  22           HN       SER  22  -5.024  -0.593   4.552
  152    HA   SER  22           HA       SER  22  -7.216  -0.256   3.789
  153   1HB   SER  22           HB2      SER  22  -6.184   2.282   4.279
  154   2HB   SER  22           HB1      SER  22  -6.820   2.400   2.641
  155    HG   SER  22           HG       SER  22  -8.191   1.440   4.941
  156    H    GLY  23           HN       GLY  23  -4.690  -0.730   1.878
  157   1HA   GLY  23           HA2      GLY  23  -5.077  -1.784  -0.312
  158   2HA   GLY  23           HA1      GLY  23  -6.361  -0.610  -0.595
  159    H    LYS  24           HN       LYS  24  -3.988   1.136   0.847
  160    HA   LYS  24           HA       LYS  24  -2.686   1.741  -1.764
  161   1HB   LYS  24           HB2      LYS  24  -2.567   4.019  -0.026
  162   2HB   LYS  24           HB1      LYS  24  -3.300   3.892  -1.622
  163   1HG   LYS  24           HG2      LYS  24  -4.745   2.822   0.789
  164   2HG   LYS  24           HG1      LYS  24  -4.789   4.536   0.402
  165   1HD   LYS  24           HD2      LYS  24  -5.360   2.545  -1.762
  166   2HD   LYS  24           HD1      LYS  24  -6.624   2.937  -0.597
  167   1HE   LYS  24           HE2      LYS  24  -5.105   5.165  -1.914
  168   2HE   LYS  24           HE1      LYS  24  -6.398   4.360  -2.802
  169   1HZ   LYS  24           HZ1      LYS  24  -7.060   6.351  -1.442
  170   2HZ   LYS  24           HZ2      LYS  24  -6.761   5.412  -0.058
  171   3HZ   LYS  24           HZ3      LYS  24  -7.961   4.940  -1.166
  172   1H    CYS  25           H1       CYS  25   2.659   2.562   1.985
  173    H    CYS  25           HN       CYS  25  -0.590   3.095  -1.316
  174    HA   CYS  25           HA       CYS  25   1.111   1.412   0.327
  175   1HB   CYS  25           HB2      CYS  25   1.450   3.498  -1.665
  176   2HB   CYS  25           HB1      CYS  25   2.545   3.731  -0.305
  Start of MODEL    8
    1   2H    CYS   1           HT2      CYS   1  11.007   2.909  -5.844
    2   3H    CYS   1           HT3      CYS   1  10.640   1.375  -6.472
    3    HA   CYS   1           HA       CYS   1   9.338   0.781  -4.717
    4   1HB   CYS   1           HB2      CYS   1   9.577   2.245  -2.533
    5   2HB   CYS   1           HB1      CYS   1  10.720   0.945  -2.857
    6    H    LYS   2           HN       LYS   2   7.415   1.925  -3.673
    7    HA   LYS   2           HA       LYS   2   6.743   4.330  -5.312
    8   1HB   LYS   2           HB2      LYS   2   5.104   2.089  -4.142
    9   2HB   LYS   2           HB1      LYS   2   4.341   3.620  -4.569
   10   1HG   LYS   2           HG2      LYS   2   6.157   2.465  -6.613
   11   2HG   LYS   2           HG1      LYS   2   4.653   1.586  -6.329
   12   1HD   LYS   2           HD2      LYS   2   3.642   4.063  -6.421
   13   2HD   LYS   2           HD1      LYS   2   5.067   4.328  -7.427
   14   1HE   LYS   2           HE2      LYS   2   4.324   2.927  -9.096
   15   2HE   LYS   2           HE1      LYS   2   3.457   1.878  -7.971
   16   1HZ   LYS   2           HZ1      LYS   2   1.604   3.065  -8.194
   17   2HZ   LYS   2           HZ2      LYS   2   2.330   3.761  -9.563
   18   3HZ   LYS   2           HZ3      LYS   2   2.415   4.550  -8.060
   19    H    GLY   3           HN       GLY   3   4.591   5.301  -3.858
   20   1HA   GLY   3           HA2      GLY   3   5.660   5.824  -1.125
   21   2HA   GLY   3           HA1      GLY   3   5.264   7.188  -2.173
   22    H    LYS   4           HN       LYS   4   3.929   6.726   0.324
   23    HA   LYS   4           HA       LYS   4   1.533   5.299   0.166
   24   1HB   LYS   4           HB2      LYS   4   0.857   6.523   2.022
   25   2HB   LYS   4           HB1      LYS   4   2.600   6.645   2.111
   26   1HG   LYS   4           HG2      LYS   4   2.138   8.785   0.579
   27   2HG   LYS   4           HG1      LYS   4   0.593   8.724   1.421
   28   1HD   LYS   4           HD2      LYS   4   1.703   8.790   3.583
   29   2HD   LYS   4           HD1      LYS   4   3.285   8.687   2.811
   30   1HE   LYS   4           HE2      LYS   4   3.177  10.971   3.074
   31   2HE   LYS   4           HE1      LYS   4   2.356  10.845   1.519
   32   1HZ   LYS   4           HZ1      LYS   4   1.243  11.357   4.178
   33   2HZ   LYS   4           HZ2      LYS   4   0.291  10.489   3.071
   34   3HZ   LYS   4           HZ3      LYS   4   0.838  12.051   2.684
   35    H    GLY   5           HN       GLY   5  -0.586   5.938  -0.424
   36   1HA   GLY   5           HA2      GLY   5  -2.187   7.419  -1.479
   37   2HA   GLY   5           HA1      GLY   5  -0.837   8.386  -2.089
   38    H    ALA   6           HN       ALA   6   0.693   6.034  -2.905
   39    HA   ALA   6           HA       ALA   6  -0.510   5.661  -5.536
   40   1HB   ALA   6           HB1      ALA   6   2.092   5.422  -4.413
   41   2HB   ALA   6           HB2      ALA   6   1.632   5.240  -6.105
   42   3HB   ALA   6           HB3      ALA   6   1.656   3.833  -5.041
   43    H    LYS   7           HN       LYS   7  -2.484   4.663  -4.752
   44    HA   LYS   7           HA       LYS   7  -3.120   2.571  -3.250
   45   1HB   LYS   7           HB2      LYS   7  -4.766   1.868  -4.854
   46   2HB   LYS   7           HB1      LYS   7  -4.569   3.612  -5.036
   47   1HG   LYS   7           HG2      LYS   7  -2.603   2.488  -6.676
   48   2HG   LYS   7           HG1      LYS   7  -4.033   1.506  -6.945
   49   1HD   LYS   7           HD2      LYS   7  -5.329   3.692  -7.217
   50   2HD   LYS   7           HD1      LYS   7  -3.760   4.493  -7.287
   51   1HE   LYS   7           HE2      LYS   7  -3.136   2.912  -9.157
   52   2HE   LYS   7           HE1      LYS   7  -4.812   2.361  -9.163
   53   1HZ   LYS   7           HZ1      LYS   7  -3.874   5.141  -9.617
   54   2HZ   LYS   7           HZ2      LYS   7  -5.502   4.663  -9.545
   55   3HZ   LYS   7           HZ3      LYS   7  -4.500   4.090 -10.791
   56    H    CYS   8           HN       CYS   8  -2.960   0.276  -3.249
   57    HA   CYS   8           HA       CYS   8  -1.262  -1.012  -5.293
   58   1HB   CYS   8           HB2      CYS   8   0.280  -1.938  -3.575
   59   2HB   CYS   8           HB1      CYS   8   0.377  -0.180  -3.664
   60    H    SER   9           HN       SER   9  -0.811  -3.411  -3.880
   61    HA   SER   9           HA       SER   9  -3.574  -4.464  -3.802
   62   1HB   SER   9           HB2      SER   9  -0.883  -5.839  -3.886
   63   2HB   SER   9           HB1      SER   9  -2.422  -6.691  -3.818
   64    HG   SER   9           HG       SER   9  -2.554  -6.392  -5.884
   65    H    ARG  10           HN       ARG  10  -1.182  -6.193  -2.038
   66    HA   ARG  10           HA       ARG  10  -1.711  -5.017   0.556
   67   1HB   ARG  10           HB2      ARG  10  -3.873  -6.276  -0.080
   68   2HB   ARG  10           HB1      ARG  10  -2.927  -7.750   0.134
   69   1HG   ARG  10           HG2      ARG  10  -3.222  -7.618   2.356
   70   2HG   ARG  10           HG1      ARG  10  -2.407  -6.055   2.368
   71   1HD   ARG  10           HD2      ARG  10  -4.468  -5.407   3.180
   72   2HD   ARG  10           HD1      ARG  10  -4.767  -5.224   1.452
   73    HE   ARG  10           HE       ARG  10  -5.488  -7.841   1.944
   74   1HH1  ARG  10          HH21      ARG  10  -6.242  -4.766   3.324
   75   2HH1  ARG  10          HH22      ARG  10  -7.847  -5.224   3.785
   76   1HH2  ARG  10          HH11      ARG  10  -7.578  -8.446   2.540
   77   2HH2  ARG  10          HH12      ARG  10  -8.602  -7.304   3.345
   78    H    LEU  11           HN       LEU  11   0.256  -5.339   1.466
   79    HA   LEU  11           HA       LEU  11   2.077  -6.535   2.359
   80   1HB   LEU  11           HB2      LEU  11   0.173  -8.456   2.242
   81   2HB   LEU  11           HB1      LEU  11   1.327  -9.101   1.073
   82    HG   LEU  11           HG       LEU  11   2.629  -8.063   3.475
   83   1HD1  LEU  11          HD11      LEU  11   1.312 -10.637   4.068
   84   2HD1  LEU  11          HD12      LEU  11   0.225  -9.250   4.046
   85   3HD1  LEU  11          HD13      LEU  11   1.620  -9.260   5.126
   86   1HD2  LEU  11          HD21      LEU  11   3.783 -10.225   3.328
   87   2HD2  LEU  11          HD22      LEU  11   3.683  -9.491   1.728
   88   3HD2  LEU  11          HD23      LEU  11   2.587 -10.802   2.165
   89    H    MET  12           HN       MET  12   1.631  -5.585  -0.593
   90    HA   MET  12           HA       MET  12   3.457  -7.234  -2.138
   91   1HB   MET  12           HB2      MET  12   2.401  -4.425  -2.577
   92   2HB   MET  12           HB1      MET  12   3.383  -5.306  -3.748
   93   1HG   MET  12           HG2      MET  12   0.751  -6.314  -2.634
   94   2HG   MET  12           HG1      MET  12   0.924  -5.497  -4.186
   95   1HE   MET  12           HE1      MET  12   0.981  -8.241  -2.083
   96   2HE   MET  12           HE2      MET  12   1.815  -9.614  -2.805
   97   3HE   MET  12           HE3      MET  12   0.211  -9.166  -3.380
   98    H    TYR  13           HN       TYR  13   3.902  -4.991   0.345
   99    HA   TYR  13           HA       TYR  13   5.753  -3.700   1.037
  100   1HB   TYR  13           HB2      TYR  13   7.040  -6.210  -0.071
  101   2HB   TYR  13           HB1      TYR  13   7.899  -5.012   0.894
  102    HD1  TYR  13           HD1      TYR  13   6.977  -8.089   1.367
  103    HD2  TYR  13           HD2      TYR  13   5.739  -4.241   2.819
  104    HE1  TYR  13           HE1      TYR  13   6.125  -9.146   3.441
  105    HE2  TYR  13           HE2      TYR  13   4.886  -5.296   4.892
  106    HH   TYR  13           HH       TYR  13   4.037  -7.690   5.521
  107    H    ASP  14           HN       ASP  14   4.960  -2.490  -1.174
  108    HA   ASP  14           HA       ASP  14   7.406  -2.244  -2.877
  109   1HB   ASP  14           HB2      ASP  14   5.796  -1.274  -4.586
  110   2HB   ASP  14           HB1      ASP  14   5.575  -2.991  -4.248
  111    H    CYS  15           HN       CYS  15   5.152  -0.637  -0.790
  112    HA   CYS  15           HA       CYS  15   5.597   2.066  -1.614
  113   1HB   CYS  15           HB2      CYS  15   5.163   1.247   1.255
  114   2HB   CYS  15           HB1      CYS  15   4.626   2.713   0.432
  115    H    CYS  16           HN       CYS  16   7.323   3.231  -1.539
  116    HA   CYS  16           HA       CYS  16   9.826   2.322  -0.477
  117   1HB   CYS  16           HB2      CYS  16   9.174   4.080  -2.356
  118   2HB   CYS  16           HB1      CYS  16   9.295   5.211  -1.014
  119    H    THR  17           HN       THR  17   7.340   4.554   0.716
  120    HA   THR  17           HA       THR  17   8.777   4.564   3.339
  121    HB   THR  17           HB       THR  17   9.104   6.767   2.453
  122    HG1  THR  17           HG1      THR  17   7.922   6.390   4.613
  123   1HG2  THR  17          HG21      THR  17   7.360   8.080   1.440
  124   2HG2  THR  17          HG22      THR  17   6.133   6.899   1.893
  125   3HG2  THR  17          HG23      THR  17   7.336   6.495   0.668
  126    H    GLY  18           HN       GLY  18   7.205   2.682   3.574
  127   1HA   GLY  18           HA2      GLY  18   5.293   2.847   5.389
  128   2HA   GLY  18           HA1      GLY  18   4.404   3.563   4.044
  129    H    SER  19           HN       SER  19   2.920   1.717   4.232
  130    HA   SER  19           HA       SER  19   3.859  -0.555   2.589
  131   1HB   SER  19           HB2      SER  19   2.537  -2.032   4.359
  132   2HB   SER  19           HB1      SER  19   4.242  -1.658   4.590
  133    HG   SER  19           HG       SER  19   3.364  -1.032   6.460
  134    H    CYS  20           HN       CYS  20   1.907  -1.971   2.000
  135    HA   CYS  20           HA       CYS  20  -0.152  -0.376   0.881
  136   1HB   CYS  20           HB2      CYS  20   0.145  -3.316   1.433
  137   2HB   CYS  20           HB1      CYS  20  -1.404  -2.690   0.871
  138    H    ARG  21           HN       ARG  21  -1.051   0.985   2.499
  139    HA   ARG  21           HA       ARG  21  -2.462  -0.379   4.744
  140   1HB   ARG  21           HB2      ARG  21  -0.863   1.557   5.188
  141   2HB   ARG  21           HB1      ARG  21  -2.038   2.596   4.381
  142   1HG   ARG  21           HG2      ARG  21  -3.675   1.272   6.095
  143   2HG   ARG  21           HG1      ARG  21  -2.184   1.290   7.039
  144   1HD   ARG  21           HD2      ARG  21  -3.782   3.623   6.000
  145   2HD   ARG  21           HD1      ARG  21  -3.219   3.316   7.643
  146    HE   ARG  21           HE       ARG  21  -0.880   3.564   6.182
  147   1HH1  ARG  21          HH21      ARG  21  -3.753   5.427   6.637
  148   2HH1  ARG  21          HH22      ARG  21  -2.960   6.947   6.395
  149   1HH2  ARG  21          HH11      ARG  21   0.164   5.539   5.866
  150   2HH2  ARG  21          HH12      ARG  21  -0.743   7.012   5.963
  151    H    SER  22           HN       SER  22  -4.682  -0.373   4.816
  152    HA   SER  22           HA       SER  22  -6.888  -0.074   4.074
  153   1HB   SER  22           HB2      SER  22  -6.236   2.323   4.660
  154   2HB   SER  22           HB1      SER  22  -5.909   2.557   2.945
  155    HG   SER  22           HG       SER  22  -8.347   1.904   4.226
  156    H    GLY  23           HN       GLY  23  -4.667  -1.116   2.245
  157   1HA   GLY  23           HA2      GLY  23  -4.952  -2.190   0.124
  158   2HA   GLY  23           HA1      GLY  23  -6.324  -1.133  -0.203
  159    H    LYS  24           HN       LYS  24  -4.373   1.108   0.831
  160    HA   LYS  24           HA       LYS  24  -3.142   1.512  -1.851
  161   1HB   LYS  24           HB2      LYS  24  -3.935   3.489   0.306
  162   2HB   LYS  24           HB1      LYS  24  -3.059   3.936  -1.158
  163   1HG   LYS  24           HG2      LYS  24  -4.885   3.201  -2.558
  164   2HG   LYS  24           HG1      LYS  24  -5.730   2.512  -1.174
  165   1HD   LYS  24           HD2      LYS  24  -6.213   4.642  -0.258
  166   2HD   LYS  24           HD1      LYS  24  -5.016   5.443  -1.276
  167   1HE   LYS  24           HE2      LYS  24  -7.232   3.973  -2.637
  168   2HE   LYS  24           HE1      LYS  24  -7.618   5.514  -1.872
  169   1HZ   LYS  24           HZ1      LYS  24  -6.947   5.805  -4.176
  170   2HZ   LYS  24           HZ2      LYS  24  -5.451   5.063  -3.854
  171   3HZ   LYS  24           HZ3      LYS  24  -5.841   6.549  -3.129
  172   1H    CYS  25           H1       CYS  25   2.364   2.727   1.495
  173    H    CYS  25           HN       CYS  25  -1.052   2.940  -1.677
  174    HA   CYS  25           HA       CYS  25   0.813   1.455  -0.028
  175   1HB   CYS  25           HB2      CYS  25   0.966   3.384  -2.172
  176   2HB   CYS  25           HB1      CYS  25   2.066   3.839  -0.877
  Start of MODEL    9
    1   2H    CYS   1           HT2      CYS   1  11.137   3.117  -5.691
    2   3H    CYS   1           HT3      CYS   1  10.592   1.705  -6.463
    3    HA   CYS   1           HA       CYS   1   9.413   0.981  -4.571
    4   1HB   CYS   1           HB2      CYS   1   9.523   2.591  -2.523
    5   2HB   CYS   1           HB1      CYS   1  10.827   1.433  -2.755
    6    H    LYS   2           HN       LYS   2   7.545   2.320  -3.411
    7    HA   LYS   2           HA       LYS   2   6.739   4.508  -5.288
    8   1HB   LYS   2           HB2      LYS   2   5.163   2.205  -4.142
    9   2HB   LYS   2           HB1      LYS   2   4.356   3.665  -4.717
   10   1HG   LYS   2           HG2      LYS   2   6.399   2.536  -6.541
   11   2HG   LYS   2           HG1      LYS   2   4.946   1.560  -6.327
   12   1HD   LYS   2           HD2      LYS   2   3.628   3.726  -6.737
   13   2HD   LYS   2           HD1      LYS   2   5.149   4.405  -7.317
   14   1HE   LYS   2           HE2      LYS   2   4.076   1.789  -8.375
   15   2HE   LYS   2           HE1      LYS   2   3.609   3.336  -9.080
   16   1HZ   LYS   2           HZ1      LYS   2   6.456   2.801  -8.646
   17   2HZ   LYS   2           HZ2      LYS   2   5.702   3.730  -9.851
   18   3HZ   LYS   2           HZ3      LYS   2   5.687   2.034  -9.948
   19    H    GLY   3           HN       GLY   3   4.464   5.372  -3.997
   20   1HA   GLY   3           HA2      GLY   3   5.240   5.921  -1.184
   21   2HA   GLY   3           HA1      GLY   3   5.024   7.299  -2.264
   22    H    LYS   4           HN       LYS   4   3.413   6.932   0.028
   23    HA   LYS   4           HA       LYS   4   1.020   5.610  -0.098
   24   1HB   LYS   4           HB2      LYS   4   1.973   7.666   1.389
   25   2HB   LYS   4           HB1      LYS   4   0.714   8.492   0.483
   26   1HG   LYS   4           HG2      LYS   4  -0.470   6.109   1.217
   27   2HG   LYS   4           HG1      LYS   4   0.482   6.531   2.636
   28   1HD   LYS   4           HD2      LYS   4  -0.591   8.648   2.857
   29   2HD   LYS   4           HD1      LYS   4  -1.303   8.538   1.248
   30   1HE   LYS   4           HE2      LYS   4  -3.076   7.370   2.014
   31   2HE   LYS   4           HE1      LYS   4  -2.042   6.267   2.925
   32   1HZ   LYS   4           HZ1      LYS   4  -3.471   7.526   4.399
   33   2HZ   LYS   4           HZ2      LYS   4  -2.864   8.990   3.784
   34   3HZ   LYS   4           HZ3      LYS   4  -1.848   7.947   4.658
   35    H    GLY   5           HN       GLY   5  -0.979   5.936  -1.072
   36   1HA   GLY   5           HA2      GLY   5  -2.528   7.058  -2.562
   37   2HA   GLY   5           HA1      GLY   5  -1.175   7.998  -3.207
   38    H    ALA   6           HN       ALA   6   0.596   5.730  -3.459
   39    HA   ALA   6           HA       ALA   6  -0.342   4.732  -6.037
   40   1HB   ALA   6           HB1      ALA   6   2.115   5.287  -5.255
   41   2HB   ALA   6           HB2      ALA   6   1.828   3.934  -6.348
   42   3HB   ALA   6           HB3      ALA   6   2.073   3.640  -4.626
   43    H    LYS   7           HN       LYS   7  -2.249   3.628  -5.195
   44    HA   LYS   7           HA       LYS   7  -2.644   1.741  -3.333
   45   1HB   LYS   7           HB2      LYS   7  -4.236   0.676  -4.747
   46   2HB   LYS   7           HB1      LYS   7  -4.159   2.348  -5.306
   47   1HG   LYS   7           HG2      LYS   7  -2.180   1.268  -6.795
   48   2HG   LYS   7           HG1      LYS   7  -3.235  -0.126  -6.633
   49   1HD   LYS   7           HD2      LYS   7  -4.924   2.077  -7.169
   50   2HD   LYS   7           HD1      LYS   7  -3.581   2.190  -8.306
   51   1HE   LYS   7           HE2      LYS   7  -3.984  -0.005  -9.152
   52   2HE   LYS   7           HE1      LYS   7  -5.073  -0.394  -7.821
   53   1HZ   LYS   7           HZ1      LYS   7  -5.545   1.272 -10.184
   54   2HZ   LYS   7           HZ2      LYS   7  -6.361   1.662  -8.746
   55   3HZ   LYS   7           HZ3      LYS   7  -6.559   0.128  -9.450
   56    H    CYS   8           HN       CYS   8  -2.334  -0.603  -3.153
   57    HA   CYS   8           HA       CYS   8  -0.222  -1.742  -4.895
   58   1HB   CYS   8           HB2      CYS   8   1.060  -2.517  -2.905
   59   2HB   CYS   8           HB1      CYS   8   0.989  -0.764  -3.014
   60    H    SER   9           HN       SER   9   0.010  -4.005  -2.862
   61    HA   SER   9           HA       SER   9  -2.564  -5.332  -3.612
   62   1HB   SER   9           HB2      SER   9   0.070  -6.085  -4.120
   63   2HB   SER   9           HB1      SER   9  -0.415  -7.113  -2.776
   64    HG   SER   9           HG       SER   9  -2.189  -7.779  -3.982
   65    H    ARG  10           HN       ARG  10  -1.304  -3.866  -1.034
   66    HA   ARG  10           HA       ARG  10  -2.060  -3.931   1.207
   67   1HB   ARG  10           HB2      ARG  10  -3.829  -5.670   0.014
   68   2HB   ARG  10           HB1      ARG  10  -3.029  -6.701   1.200
   69   1HG   ARG  10           HG2      ARG  10  -3.837  -3.985   2.112
   70   2HG   ARG  10           HG1      ARG  10  -5.131  -5.153   1.840
   71   1HD   ARG  10           HD2      ARG  10  -3.331  -6.690   3.195
   72   2HD   ARG  10           HD1      ARG  10  -3.036  -5.114   3.926
   73    HE   ARG  10           HE       ARG  10  -5.805  -5.361   3.928
   74   1HH1  ARG  10          HH21      ARG  10  -3.108  -7.200   5.059
   75   2HH1  ARG  10          HH22      ARG  10  -3.979  -7.905   6.378
   76   1HH2  ARG  10          HH11      ARG  10  -6.946  -6.273   5.648
   77   2HH2  ARG  10          HH12      ARG  10  -6.146  -7.380   6.714
   78    H    LEU  11           HN       LEU  11  -0.048  -6.187  -0.374
   79    HA   LEU  11           HA       LEU  11   1.615  -6.432   2.008
   80   1HB   LEU  11           HB2      LEU  11  -0.176  -8.629   1.153
   81   2HB   LEU  11           HB1      LEU  11   1.499  -9.096   1.461
   82    HG   LEU  11           HG       LEU  11   0.656  -7.286   3.522
   83   1HD1  LEU  11          HD11      LEU  11  -1.536  -8.654   2.543
   84   2HD1  LEU  11          HD12      LEU  11  -1.390  -8.002   4.175
   85   3HD1  LEU  11          HD13      LEU  11  -0.993  -9.691   3.860
   86   1HD2  LEU  11          HD21      LEU  11   1.649  -8.876   4.877
   87   2HD2  LEU  11          HD22      LEU  11   2.346  -9.350   3.328
   88   3HD2  LEU  11          HD23      LEU  11   0.961 -10.228   3.976
   89    H    MET  12           HN       MET  12   1.632  -5.613  -0.938
   90    HA   MET  12           HA       MET  12   3.545  -7.484  -2.148
   91   1HB   MET  12           HB2      MET  12   1.795  -5.495  -3.112
   92   2HB   MET  12           HB1      MET  12   3.421  -4.899  -3.449
   93   1HG   MET  12           HG2      MET  12   2.736  -6.249  -5.330
   94   2HG   MET  12           HG1      MET  12   3.955  -7.158  -4.439
   95   1HE   MET  12           HE1      MET  12   2.522 -10.265  -4.922
   96   2HE   MET  12           HE2      MET  12   3.192  -9.858  -3.344
   97   3HE   MET  12           HE3      MET  12   3.860  -9.114  -4.795
   98    H    TYR  13           HN       TYR  13   3.616  -4.654  -0.167
   99    HA   TYR  13           HA       TYR  13   5.411  -3.461   0.756
  100   1HB   TYR  13           HB2      TYR  13   6.650  -6.055  -0.080
  101   2HB   TYR  13           HB1      TYR  13   7.714  -4.734   0.402
  102    HD1  TYR  13           HD1      TYR  13   6.382  -7.568   1.668
  103    HD2  TYR  13           HD2      TYR  13   6.409  -3.359   2.525
  104    HE1  TYR  13           HE1      TYR  13   5.895  -8.051   4.050
  105    HE2  TYR  13           HE2      TYR  13   5.924  -3.842   4.908
  106    HH   TYR  13           HH       TYR  13   4.863  -6.850   5.994
  107    H    ASP  14           HN       ASP  14   4.775  -2.097  -1.278
  108    HA   ASP  14           HA       ASP  14   7.186  -1.871  -3.035
  109   1HB   ASP  14           HB2      ASP  14   5.625  -0.767  -4.672
  110   2HB   ASP  14           HB1      ASP  14   5.267  -2.467  -4.385
  111    H    CYS  15           HN       CYS  15   5.083  -0.321  -0.780
  112    HA   CYS  15           HA       CYS  15   5.559   2.419  -1.455
  113   1HB   CYS  15           HB2      CYS  15   5.324   1.490   1.401
  114   2HB   CYS  15           HB1      CYS  15   4.702   2.964   0.659
  115    H    CYS  16           HN       CYS  16   7.306   3.588  -1.344
  116    HA   CYS  16           HA       CYS  16   9.860   2.537  -0.660
  117   1HB   CYS  16           HB2      CYS  16   9.051   4.627  -2.086
  118   2HB   CYS  16           HB1      CYS  16   9.314   5.470  -0.568
  119    H    THR  17           HN       THR  17   7.580   4.592   1.131
  120    HA   THR  17           HA       THR  17   9.102   3.932   3.613
  121    HB   THR  17           HB       THR  17   9.672   6.217   3.200
  122    HG1  THR  17           HG1      THR  17   9.063   6.016   5.293
  123   1HG2  THR  17          HG21      THR  17   8.243   6.954   1.510
  124   2HG2  THR  17          HG22      THR  17   7.649   7.855   2.905
  125   3HG2  THR  17          HG23      THR  17   6.797   6.410   2.360
  126    H    GLY  18           HN       GLY  18   7.766   2.843   4.963
  127   1HA   GLY  18           HA2      GLY  18   5.712   2.892   6.340
  128   2HA   GLY  18           HA1      GLY  18   4.864   3.559   4.944
  129    H    SER  19           HN       SER  19   3.323   1.802   4.991
  130    HA   SER  19           HA       SER  19   4.326  -0.596   3.589
  131   1HB   SER  19           HB2      SER  19   3.116  -0.631   6.347
  132   2HB   SER  19           HB1      SER  19   2.916  -2.008   5.266
  133    HG   SER  19           HG       SER  19   4.815  -2.014   6.698
  134    H    CYS  20           HN       CYS  20   2.504  -1.904   2.729
  135    HA   CYS  20           HA       CYS  20   0.548  -0.423   1.394
  136   1HB   CYS  20           HB2      CYS  20   0.745  -3.292   2.231
  137   2HB   CYS  20           HB1      CYS  20  -0.779  -2.706   1.569
  138    H    ARG  21           HN       ARG  21  -1.053   0.832   2.263
  139    HA   ARG  21           HA       ARG  21  -2.284  -0.075   4.834
  140   1HB   ARG  21           HB2      ARG  21  -1.032   2.195   4.706
  141   2HB   ARG  21           HB1      ARG  21  -2.430   2.748   3.782
  142   1HG   ARG  21           HG2      ARG  21  -3.919   2.348   5.590
  143   2HG   ARG  21           HG1      ARG  21  -2.733   1.368   6.453
  144   1HD   ARG  21           HD2      ARG  21  -2.026   4.202   5.818
  145   2HD   ARG  21           HD1      ARG  21  -3.162   3.901   7.131
  146    HE   ARG  21           HE       ARG  21  -1.069   2.164   7.658
  147   1HH1  ARG  21          HH21      ARG  21  -1.421   5.544   7.036
  148   2HH1  ARG  21          HH22      ARG  21  -0.066   5.996   8.012
  149   1HH2  ARG  21          HH11      ARG  21   0.695   2.743   8.941
  150   2HH2  ARG  21          HH12      ARG  21   1.130   4.412   9.093
  151    H    SER  22           HN       SER  22  -4.481  -0.397   4.862
  152    HA   SER  22           HA       SER  22  -6.603  -0.820   3.934
  153   1HB   SER  22           HB2      SER  22  -6.357   1.699   2.340
  154   2HB   SER  22           HB1      SER  22  -7.713   1.111   3.295
  155    HG   SER  22           HG       SER  22  -6.772   1.835   5.103
  156    H    GLY  23           HN       GLY  23  -4.172  -1.694   2.394
  157   1HA   GLY  23           HA2      GLY  23  -4.095  -3.026   0.409
  158   2HA   GLY  23           HA1      GLY  23  -5.590  -2.264  -0.132
  159    H    LYS  24           HN       LYS  24  -4.330   0.437   0.583
  160    HA   LYS  24           HA       LYS  24  -2.879   0.702  -1.991
  161   1HB   LYS  24           HB2      LYS  24  -4.122   2.793  -0.183
  162   2HB   LYS  24           HB1      LYS  24  -3.268   3.153  -1.682
  163   1HG   LYS  24           HG2      LYS  24  -4.904   2.073  -3.008
  164   2HG   LYS  24           HG1      LYS  24  -5.592   1.232  -1.618
  165   1HD   LYS  24           HD2      LYS  24  -5.612   4.126  -1.253
  166   2HD   LYS  24           HD1      LYS  24  -6.506   3.640  -2.693
  167   1HE   LYS  24           HE2      LYS  24  -8.121   2.559  -1.490
  168   2HE   LYS  24           HE1      LYS  24  -6.973   1.986  -0.279
  169   1HZ   LYS  24           HZ1      LYS  24  -8.179   4.684  -0.496
  170   2HZ   LYS  24           HZ2      LYS  24  -6.855   4.341   0.512
  171   3HZ   LYS  24           HZ3      LYS  24  -8.346   3.571   0.773
  172   1H    CYS  25           H1       CYS  25   2.038   3.315   1.473
  173    H    CYS  25           HN       CYS  25  -1.013   2.381  -1.940
  174    HA   CYS  25           HA       CYS  25   0.852   1.542   0.123
  175   1HB   CYS  25           HB2      CYS  25   0.972   3.112  -2.337
  176   2HB   CYS  25           HB1      CYS  25   1.939   3.827  -1.050
  Start of MODEL   10
    1   2H    CYS   1           HT2      CYS   1  10.190   3.421  -6.239
    2   3H    CYS   1           HT3      CYS   1   9.867   1.888  -6.897
    3    HA   CYS   1           HA       CYS   1   9.042   1.043  -4.921
    4   1HB   CYS   1           HB2      CYS   1   9.316   2.596  -2.823
    5   2HB   CYS   1           HB1      CYS   1  10.639   1.533  -3.299
    6    H    LYS   2           HN       LYS   2   6.955   1.520  -4.131
    7    HA   LYS   2           HA       LYS   2   5.551   3.614  -5.533
    8   1HB   LYS   2           HB2      LYS   2   4.862   1.485  -3.565
    9   2HB   LYS   2           HB1      LYS   2   3.751   2.851  -3.694
   10   1HG   LYS   2           HG2      LYS   2   3.115   1.038  -5.245
   11   2HG   LYS   2           HG1      LYS   2   3.582   2.496  -6.122
   12   1HD   LYS   2           HD2      LYS   2   5.949   1.456  -6.201
   13   2HD   LYS   2           HD1      LYS   2   5.150  -0.055  -5.760
   14   1HE   LYS   2           HE2      LYS   2   4.287   1.649  -8.108
   15   2HE   LYS   2           HE1      LYS   2   5.429   0.313  -8.253
   16   1HZ   LYS   2           HZ1      LYS   2   3.277  -0.520  -8.736
   17   2HZ   LYS   2           HZ2      LYS   2   2.610   0.182  -7.340
   18   3HZ   LYS   2           HZ3      LYS   2   3.700  -1.113  -7.204
   19    H    GLY   3           HN       GLY   3   4.322   5.354  -4.454
   20   1HA   GLY   3           HA2      GLY   3   5.855   6.444  -2.138
   21   2HA   GLY   3           HA1      GLY   3   4.933   7.421  -3.281
   22    H    LYS   4           HN       LYS   4   4.421   7.804  -0.609
   23    HA   LYS   4           HA       LYS   4   2.468   6.166   0.596
   24   1HB   LYS   4           HB2      LYS   4   3.650   8.611   1.185
   25   2HB   LYS   4           HB1      LYS   4   1.943   9.010   0.996
   26   1HG   LYS   4           HG2      LYS   4   2.059   6.573   2.434
   27   2HG   LYS   4           HG1      LYS   4   3.231   7.658   3.178
   28   1HD   LYS   4           HD2      LYS   4   1.554   9.370   3.488
   29   2HD   LYS   4           HD1      LYS   4   0.374   8.447   2.556
   30   1HE   LYS   4           HE2      LYS   4  -0.293   7.498   4.490
   31   2HE   LYS   4           HE1      LYS   4   1.271   6.684   4.552
   32   1HZ   LYS   4           HZ1      LYS   4   1.689   7.863   6.365
   33   2HZ   LYS   4           HZ2      LYS   4   0.290   8.806   6.162
   34   3HZ   LYS   4           HZ3      LYS   4   1.739   9.258   5.400
   35    H    GLY   5           HN       GLY   5   0.124   6.645   0.797
   36   1HA   GLY   5           HA2      GLY   5  -1.950   6.658  -0.335
   37   2HA   GLY   5           HA1      GLY   5  -1.443   8.282  -0.792
   38    H    ALA   6           HN       ALA   6   0.444   5.540  -1.834
   39    HA   ALA   6           HA       ALA   6  -0.021   6.264  -4.620
   40   1HB   ALA   6           HB1      ALA   6   1.499   4.207  -4.988
   41   2HB   ALA   6           HB2      ALA   6   1.673   4.198  -3.232
   42   3HB   ALA   6           HB3      ALA   6   2.195   5.602  -4.162
   43    H    LYS   7           HN       LYS   7  -2.244   4.982  -2.923
   44    HA   LYS   7           HA       LYS   7  -3.780   3.178  -3.083
   45   1HB   LYS   7           HB2      LYS   7  -4.854   3.209  -5.299
   46   2HB   LYS   7           HB1      LYS   7  -4.468   4.858  -4.793
   47   1HG   LYS   7           HG2      LYS   7  -2.386   4.777  -6.085
   48   2HG   LYS   7           HG1      LYS   7  -2.748   3.135  -6.581
   49   1HD   LYS   7           HD2      LYS   7  -4.537   3.795  -7.953
   50   2HD   LYS   7           HD1      LYS   7  -4.731   5.334  -7.112
   51   1HE   LYS   7           HE2      LYS   7  -2.150   4.774  -8.531
   52   2HE   LYS   7           HE1      LYS   7  -3.558   5.258  -9.477
   53   1HZ   LYS   7           HZ1      LYS   7  -3.724   7.075  -7.626
   54   2HZ   LYS   7           HZ2      LYS   7  -2.683   7.282  -8.953
   55   3HZ   LYS   7           HZ3      LYS   7  -2.064   6.768  -7.456
   56    H    CYS   8           HN       CYS   8  -1.234   2.170  -2.982
   57    HA   CYS   8           HA       CYS   8  -0.561   0.395  -5.145
   58   1HB   CYS   8           HB2      CYS   8   1.056  -0.552  -3.622
   59   2HB   CYS   8           HB1      CYS   8   1.018   1.187  -3.338
   60    H    SER   9           HN       SER   9  -0.162  -1.983  -3.397
   61    HA   SER   9           HA       SER   9  -2.960  -3.012  -3.540
   62   1HB   SER   9           HB2      SER   9  -0.802  -4.016  -4.782
   63   2HB   SER   9           HB1      SER   9  -0.630  -4.850  -3.241
   64    HG   SER   9           HG       SER   9  -3.050  -5.215  -3.634
   65    H    ARG  10           HN       ARG  10  -1.820  -5.386  -1.915
   66    HA   ARG  10           HA       ARG  10  -1.761  -4.070   0.750
   67   1HB   ARG  10           HB2      ARG  10  -4.050  -4.903   0.338
   68   2HB   ARG  10           HB1      ARG  10  -3.403  -6.507  -0.010
   69   1HG   ARG  10           HG2      ARG  10  -2.798  -6.894   2.211
   70   2HG   ARG  10           HG1      ARG  10  -2.719  -5.173   2.592
   71   1HD   ARG  10           HD2      ARG  10  -4.771  -5.469   3.510
   72   2HD   ARG  10           HD1      ARG  10  -5.354  -5.483   1.845
   73    HE   ARG  10           HE       ARG  10  -4.622  -8.110   2.291
   74   1HH1  ARG  10          HH21      ARG  10  -6.591  -5.778   3.909
   75   2HH1  ARG  10          HH22      ARG  10  -7.698  -6.955   4.531
   76   1HH2  ARG  10          HH11      ARG  10  -6.060  -9.653   3.100
   77   2HH2  ARG  10          HH12      ARG  10  -7.400  -9.144   4.075
   78    H    LEU  11           HN       LEU  11   0.115  -4.649   1.650
   79    HA   LEU  11           HA       LEU  11   1.934  -5.943   2.348
   80   1HB   LEU  11           HB2      LEU  11  -0.091  -8.084   1.690
   81   2HB   LEU  11           HB1      LEU  11   1.520  -8.481   2.275
   82    HG   LEU  11           HG       LEU  11  -0.540  -8.118   3.942
   83   1HD1  LEU  11          HD11      LEU  11   1.448  -7.024   5.464
   84   2HD1  LEU  11          HD12      LEU  11   2.376  -7.724   4.138
   85   3HD1  LEU  11          HD13      LEU  11   1.309  -8.744   5.105
   86   1HD2  LEU  11          HD21      LEU  11   0.659  -5.348   3.636
   87   2HD2  LEU  11          HD22      LEU  11  -0.444  -5.842   4.921
   88   3HD2  LEU  11          HD23      LEU  11  -1.001  -5.807   3.248
   89    H    MET  12           HN       MET  12   2.097  -4.890  -0.216
   90    HA   MET  12           HA       MET  12   3.132  -7.111  -1.906
   91   1HB   MET  12           HB2      MET  12   2.119  -4.363  -2.419
   92   2HB   MET  12           HB1      MET  12   3.430  -4.919  -3.457
   93   1HG   MET  12           HG2      MET  12   1.095  -6.735  -2.947
   94   2HG   MET  12           HG1      MET  12   0.933  -5.429  -4.122
   95   1HE   MET  12           HE1      MET  12   1.297  -5.422  -6.068
   96   2HE   MET  12           HE2      MET  12   0.973  -7.050  -6.659
   97   3HE   MET  12           HE3      MET  12   2.481  -6.248  -7.089
   98    H    TYR  13           HN       TYR  13   4.224  -4.933   0.386
   99    HA   TYR  13           HA       TYR  13   6.356  -4.157   0.974
  100   1HB   TYR  13           HB2      TYR  13   7.361  -6.346  -0.860
  101   2HB   TYR  13           HB1      TYR  13   8.179  -5.656   0.540
  102    HD1  TYR  13           HD1      TYR  13   6.317  -8.399  -0.566
  103    HD2  TYR  13           HD2      TYR  13   6.674  -5.734   2.784
  104    HE1  TYR  13           HE1      TYR  13   5.246 -10.092   0.894
  105    HE2  TYR  13           HE2      TYR  13   5.604  -7.426   4.244
  106    HH   TYR  13           HH       TYR  13   4.258  -9.346   4.152
  107    H    ASP  14           HN       ASP  14   5.293  -2.551  -0.908
  108    HA   ASP  14           HA       ASP  14   7.549  -2.124  -2.825
  109   1HB   ASP  14           HB2      ASP  14   4.575  -1.761  -3.213
  110   2HB   ASP  14           HB1      ASP  14   5.764  -1.007  -4.273
  111    H    CYS  15           HN       CYS  15   5.261  -0.703  -0.567
  112    HA   CYS  15           HA       CYS  15   5.502   2.025  -1.051
  113   1HB   CYS  15           HB2      CYS  15   5.644   0.632   1.639
  114   2HB   CYS  15           HB1      CYS  15   5.358   2.357   1.412
  115    H    CYS  16           HN       CYS  16   7.130   3.350  -1.250
  116    HA   CYS  16           HA       CYS  16   9.856   2.552  -1.005
  117   1HB   CYS  16           HB2      CYS  16   8.687   4.460  -2.371
  118   2HB   CYS  16           HB1      CYS  16   8.989   5.417  -0.928
  119    H    THR  17           HN       THR  17   7.647   4.089   1.268
  120    HA   THR  17           HA       THR  17   9.657   3.720   3.392
  121    HB   THR  17           HB       THR  17   9.951   5.940   3.983
  122    HG1  THR  17           HG1      THR  17   8.411   7.552   3.236
  123   1HG2  THR  17          HG21      THR  17   9.342   6.160   1.022
  124   2HG2  THR  17          HG22      THR  17  10.866   5.588   1.704
  125   3HG2  THR  17          HG23      THR  17  10.356   7.257   1.960
  126    H    GLY  18           HN       GLY  18   6.990   2.643   2.733
  127   1HA   GLY  18           HA2      GLY  18   5.765   3.098   5.370
  128   2HA   GLY  18           HA1      GLY  18   4.775   3.578   3.992
  129    H    SER  19           HN       SER  19   3.274   1.870   4.718
  130    HA   SER  19           HA       SER  19   4.110  -0.787   3.640
  131   1HB   SER  19           HB2      SER  19   2.174  -0.940   5.837
  132   2HB   SER  19           HB1      SER  19   3.638  -1.880   5.567
  133    HG   SER  19           HG       SER  19   3.267   0.078   7.284
  134    H    CYS  20           HN       CYS  20   2.727  -1.366   2.040
  135    HA   CYS  20           HA       CYS  20   0.560   0.052   1.086
  136   1HB   CYS  20           HB2      CYS  20   1.295  -2.841   1.012
  137   2HB   CYS  20           HB1      CYS  20  -0.339  -2.408   0.503
  138    H    ARG  21           HN       ARG  21  -0.868   0.896   2.646
  139    HA   ARG  21           HA       ARG  21  -2.350  -1.109   4.290
  140   1HB   ARG  21           HB2      ARG  21  -0.980   0.848   5.356
  141   2HB   ARG  21           HB1      ARG  21  -2.337   1.847   4.840
  142   1HG   ARG  21           HG2      ARG  21  -3.407   1.202   6.702
  143   2HG   ARG  21           HG1      ARG  21  -3.510  -0.414   6.008
  144   1HD   ARG  21           HD2      ARG  21  -1.767  -1.218   7.271
  145   2HD   ARG  21           HD1      ARG  21  -0.927   0.331   7.284
  146    HE   ARG  21           HE       ARG  21  -3.166   0.799   8.835
  147   1HH1  ARG  21          HH21      ARG  21  -0.653  -1.570   8.756
  148   2HH1  ARG  21          HH22      ARG  21  -0.660  -1.822  10.469
  149   1HH2  ARG  21          HH11      ARG  21  -3.184   0.476  11.070
  150   2HH2  ARG  21          HH12      ARG  21  -2.093  -0.667  11.777
  151    H    SER  22           HN       SER  22  -4.572  -1.192   4.051
  152    HA   SER  22           HA       SER  22  -6.605  -0.908   2.886
  153   1HB   SER  22           HB2      SER  22  -5.989   1.399   4.307
  154   2HB   SER  22           HB1      SER  22  -6.360   2.003   2.695
  155    HG   SER  22           HG       SER  22  -7.958   0.371   4.377
  156    H    GLY  23           HN       GLY  23  -4.014  -0.990   1.327
  157   1HA   GLY  23           HA2      GLY  23  -3.712  -1.107  -1.034
  158   2HA   GLY  23           HA1      GLY  23  -5.171  -0.145  -1.250
  159    H    LYS  24           HN       LYS  24  -4.031   1.781   0.865
  160    HA   LYS  24           HA       LYS  24  -2.497   3.355  -1.113
  161   1HB   LYS  24           HB2      LYS  24  -3.566   4.126   1.612
  162   2HB   LYS  24           HB1      LYS  24  -2.794   5.223   0.475
  163   1HG   LYS  24           HG2      LYS  24  -4.608   5.277  -0.931
  164   2HG   LYS  24           HG1      LYS  24  -5.074   3.617  -0.561
  165   1HD   LYS  24           HD2      LYS  24  -5.828   4.384   1.701
  166   2HD   LYS  24           HD1      LYS  24  -5.475   6.043   1.215
  167   1HE   LYS  24           HE2      LYS  24  -7.284   6.160  -0.192
  168   2HE   LYS  24           HE1      LYS  24  -7.188   4.454  -0.628
  169   1HZ   LYS  24           HZ1      LYS  24  -8.555   3.881   1.023
  170   2HZ   LYS  24           HZ2      LYS  24  -8.989   5.523   1.074
  171   3HZ   LYS  24           HZ3      LYS  24  -7.814   4.917   2.143
  172   1H    CYS  25           H1       CYS  25   2.785   3.131   2.513
  173    H    CYS  25           HN       CYS  25  -0.364   3.728  -0.914
  174    HA   CYS  25           HA       CYS  25   1.209   2.147   0.903
  175   1HB   CYS  25           HB2      CYS  25   1.716   4.037  -1.261
  176   2HB   CYS  25           HB1      CYS  25   2.885   4.196   0.045
  Start of MODEL   11
    1   2H    CYS   1           HT2      CYS   1  10.689   2.300  -6.497
    2   3H    CYS   1           HT3      CYS   1  11.788   2.645  -5.248
    3    HA   CYS   1           HA       CYS   1   9.556   1.433  -4.732
    4   1HB   CYS   1           HB2      CYS   1   9.533   2.882  -2.530
    5   2HB   CYS   1           HB1      CYS   1  10.911   1.847  -2.886
    6    H    LYS   2           HN       LYS   2   7.409   2.006  -3.896
    7    HA   LYS   2           HA       LYS   2   6.225   4.201  -5.471
    8   1HB   LYS   2           HB2      LYS   2   5.164   1.850  -3.936
    9   2HB   LYS   2           HB1      LYS   2   4.088   3.202  -4.287
   10   1HG   LYS   2           HG2      LYS   2   5.757   1.876  -6.431
   11   2HG   LYS   2           HG1      LYS   2   4.132   1.323  -6.025
   12   1HD   LYS   2           HD2      LYS   2   3.204   2.997  -7.206
   13   2HD   LYS   2           HD1      LYS   2   4.157   4.198  -6.333
   14   1HE   LYS   2           HE2      LYS   2   4.682   4.306  -8.724
   15   2HE   LYS   2           HE1      LYS   2   6.085   3.722  -7.830
   16   1HZ   LYS   2           HZ1      LYS   2   5.937   1.695  -8.750
   17   2HZ   LYS   2           HZ2      LYS   2   5.067   2.497  -9.969
   18   3HZ   LYS   2           HZ3      LYS   2   4.241   1.676  -8.732
   19    H    GLY   3           HN       GLY   3   4.577   5.622  -4.341
   20   1HA   GLY   3           HA2      GLY   3   5.546   6.324  -1.597
   21   2HA   GLY   3           HA1      GLY   3   5.043   7.536  -2.777
   22    H    LYS   4           HN       LYS   4   3.891   7.066  -0.109
   23    HA   LYS   4           HA       LYS   4   1.563   5.624   0.064
   24   1HB   LYS   4           HB2      LYS   4   2.646   7.760   1.441
   25   2HB   LYS   4           HB1      LYS   4   1.090   8.376   0.903
   26   1HG   LYS   4           HG2      LYS   4   0.356   5.917   1.698
   27   2HG   LYS   4           HG1      LYS   4   1.708   6.173   2.791
   28   1HD   LYS   4           HD2      LYS   4  -0.734   7.935   2.463
   29   2HD   LYS   4           HD1      LYS   4  -0.267   7.014   3.894
   30   1HE   LYS   4           HE2      LYS   4   0.849   8.833   4.612
   31   2HE   LYS   4           HE1      LYS   4   1.969   8.604   3.269
   32   1HZ   LYS   4           HZ1      LYS   4   0.934  10.828   3.323
   33   2HZ   LYS   4           HZ2      LYS   4  -0.585  10.105   3.082
   34   3HZ   LYS   4           HZ3      LYS   4   0.616   9.984   1.887
   35    H    GLY   5           HN       GLY   5  -0.563   5.887  -0.576
   36   1HA   GLY   5           HA2      GLY   5  -2.378   6.969  -1.753
   37   2HA   GLY   5           HA1      GLY   5  -1.207   8.065  -2.489
   38    H    ALA   6           HN       ALA   6   0.636   5.838  -3.105
   39    HA   ALA   6           HA       ALA   6  -0.395   5.174  -5.717
   40   1HB   ALA   6           HB1      ALA   6   1.657   3.947  -6.015
   41   2HB   ALA   6           HB2      ALA   6   1.913   3.847  -4.273
   42   3HB   ALA   6           HB3      ALA   6   2.059   5.398  -5.097
   43    H    LYS   7           HN       LYS   7  -2.442   4.246  -4.836
   44    HA   LYS   7           HA       LYS   7  -3.073   2.184  -3.284
   45   1HB   LYS   7           HB2      LYS   7  -4.727   1.434  -4.857
   46   2HB   LYS   7           HB1      LYS   7  -4.544   3.177  -5.076
   47   1HG   LYS   7           HG2      LYS   7  -2.589   2.070  -6.718
   48   2HG   LYS   7           HG1      LYS   7  -3.983   1.026  -6.940
   49   1HD   LYS   7           HD2      LYS   7  -4.524   2.648  -8.486
   50   2HD   LYS   7           HD1      LYS   7  -5.259   3.371  -7.055
   51   1HE   LYS   7           HE2      LYS   7  -3.850   4.992  -8.313
   52   2HE   LYS   7           HE1      LYS   7  -3.265   4.727  -6.670
   53   1HZ   LYS   7           HZ1      LYS   7  -1.606   4.648  -8.618
   54   2HZ   LYS   7           HZ2      LYS   7  -2.233   3.092  -8.893
   55   3HZ   LYS   7           HZ3      LYS   7  -1.501   3.469  -7.407
   56    H    CYS   8           HN       CYS   8  -2.921  -0.099  -3.230
   57    HA   CYS   8           HA       CYS   8  -1.225  -1.452  -5.224
   58   1HB   CYS   8           HB2      CYS   8   0.360  -2.267  -3.503
   59   2HB   CYS   8           HB1      CYS   8   0.391  -0.507  -3.611
   60    H    SER   9           HN       SER   9  -0.742  -3.746  -3.540
   61    HA   SER   9           HA       SER   9  -3.481  -4.863  -3.552
   62   1HB   SER   9           HB2      SER   9  -1.943  -6.248  -4.709
   63   2HB   SER   9           HB1      SER   9  -0.721  -6.074  -3.454
   64    HG   SER   9           HG       SER   9  -3.250  -7.337  -3.155
   65    H    ARG  10           HN       ARG  10  -1.433  -6.564  -1.448
   66    HA   ARG  10           HA       ARG  10  -2.509  -5.098   0.911
   67   1HB   ARG  10           HB2      ARG  10  -4.014  -6.976   0.509
   68   2HB   ARG  10           HB1      ARG  10  -2.646  -8.089   0.440
   69   1HG   ARG  10           HG2      ARG  10  -2.069  -7.338   2.803
   70   2HG   ARG  10           HG1      ARG  10  -3.636  -6.527   2.836
   71   1HD   ARG  10           HD2      ARG  10  -4.811  -8.597   2.529
   72   2HD   ARG  10           HD1      ARG  10  -3.316  -9.462   2.169
   73    HE   ARG  10           HE       ARG  10  -2.879  -8.490   4.710
   74   1HH1  ARG  10          HH21      ARG  10  -5.393 -10.271   3.147
   75   2HH1  ARG  10          HH22      ARG  10  -5.832 -11.150   4.574
   76   1HH2  ARG  10          HH11      ARG  10  -3.443  -9.632   6.574
   77   2HH2  ARG  10          HH12      ARG  10  -4.732 -10.788   6.511
   78    H    LEU  11           HN       LEU  11  -0.251  -7.647  -0.189
   79    HA   LEU  11           HA       LEU  11   1.603  -6.709   1.965
   80   1HB   LEU  11           HB2      LEU  11   0.643  -9.408   1.306
   81   2HB   LEU  11           HB1      LEU  11   2.398  -9.294   1.438
   82    HG   LEU  11           HG       LEU  11   1.257  -7.778   3.574
   83   1HD1  LEU  11          HD11      LEU  11  -0.182 -10.266   2.886
   84   2HD1  LEU  11          HD12      LEU  11  -0.697  -8.906   3.885
   85   3HD1  LEU  11          HD13      LEU  11   0.341 -10.156   4.567
   86   1HD2  LEU  11          HD21      LEU  11   3.197  -8.666   4.322
   87   2HD2  LEU  11          HD22      LEU  11   3.172  -9.921   3.083
   88   3HD2  LEU  11          HD23      LEU  11   2.304 -10.162   4.599
   89    H    MET  12           HN       MET  12   1.678  -5.554  -0.581
   90    HA   MET  12           HA       MET  12   3.660  -6.957  -2.221
   91   1HB   MET  12           HB2      MET  12   2.510  -4.154  -2.356
   92   2HB   MET  12           HB1      MET  12   3.659  -4.801  -3.526
   93   1HG   MET  12           HG2      MET  12   1.053  -6.186  -2.874
   94   2HG   MET  12           HG1      MET  12   1.199  -4.999  -4.169
   95   1HE   MET  12           HE1      MET  12   1.503  -9.233  -4.682
   96   2HE   MET  12           HE2      MET  12   0.240  -8.022  -4.897
   97   3HE   MET  12           HE3      MET  12   0.923  -8.298  -3.298
   98    H    TYR  13           HN       TYR  13   3.612  -4.295   0.103
   99    HA   TYR  13           HA       TYR  13   5.356  -3.225   1.237
  100   1HB   TYR  13           HB2      TYR  13   6.592  -5.861   0.469
  101   2HB   TYR  13           HB1      TYR  13   7.548  -4.626   1.288
  102    HD1  TYR  13           HD1      TYR  13   7.791  -6.195   3.224
  103    HD2  TYR  13           HD2      TYR  13   3.967  -4.712   1.948
  104    HE1  TYR  13           HE1      TYR  13   6.806  -6.870   5.394
  105    HE2  TYR  13           HE2      TYR  13   2.982  -5.386   4.119
  106    HH   TYR  13           HH       TYR  13   3.365  -6.798   5.953
  107    H    ASP  14           HN       ASP  14   4.924  -2.586  -1.578
  108    HA   ASP  14           HA       ASP  14   7.679  -2.162  -2.603
  109   1HB   ASP  14           HB2      ASP  14   5.015  -1.452  -3.874
  110   2HB   ASP  14           HB1      ASP  14   6.594  -1.397  -4.658
  111    H    CYS  15           HN       CYS  15   5.322  -0.584  -0.743
  112    HA   CYS  15           HA       CYS  15   5.611   2.133  -1.531
  113   1HB   CYS  15           HB2      CYS  15   5.334   1.202   1.332
  114   2HB   CYS  15           HB1      CYS  15   4.736   2.696   0.613
  115    H    CYS  16           HN       CYS  16   7.159   3.566  -1.290
  116    HA   CYS  16           HA       CYS  16   9.821   2.784  -0.613
  117   1HB   CYS  16           HB2      CYS  16   8.838   4.716  -2.105
  118   2HB   CYS  16           HB1      CYS  16   8.921   5.634  -0.608
  119    H    THR  17           HN       THR  17   7.229   4.285   1.255
  120    HA   THR  17           HA       THR  17   8.938   3.994   3.670
  121    HB   THR  17           HB       THR  17   9.224   6.319   3.153
  122    HG1  THR  17           HG1      THR  17   7.095   6.041   5.009
  123   1HG2  THR  17          HG21      THR  17   6.223   6.339   2.748
  124   2HG2  THR  17          HG22      THR  17   7.456   6.565   1.509
  125   3HG2  THR  17          HG23      THR  17   7.236   7.784   2.764
  126    H    GLY  18           HN       GLY  18   7.462   2.143   3.973
  127   1HA   GLY  18           HA2      GLY  18   5.669   2.068   5.877
  128   2HA   GLY  18           HA1      GLY  18   4.677   2.922   4.694
  129    H    SER  19           HN       SER  19   3.227   1.028   4.843
  130    HA   SER  19           HA       SER  19   4.102  -1.103   2.956
  131   1HB   SER  19           HB2      SER  19   2.435  -2.406   4.785
  132   2HB   SER  19           HB1      SER  19   4.181  -2.594   4.647
  133    HG   SER  19           HG       SER  19   3.925  -1.924   6.688
  134    H    CYS  20           HN       CYS  20   2.166  -2.319   2.098
  135    HA   CYS  20           HA       CYS  20   0.228  -0.623   0.996
  136   1HB   CYS  20           HB2      CYS  20   0.359  -3.574   1.501
  137   2HB   CYS  20           HB1      CYS  20  -1.176  -2.882   0.978
  138    H    ARG  21           HN       ARG  21  -0.846   0.763   2.434
  139    HA   ARG  21           HA       ARG  21  -2.392  -0.553   4.633
  140   1HB   ARG  21           HB2      ARG  21  -0.729   1.795   4.588
  141   2HB   ARG  21           HB1      ARG  21  -2.384   2.265   4.980
  142   1HG   ARG  21           HG2      ARG  21  -1.785  -0.145   6.400
  143   2HG   ARG  21           HG1      ARG  21  -0.471   0.998   6.679
  144   1HD   ARG  21           HD2      ARG  21  -1.772   2.228   8.042
  145   2HD   ARG  21           HD1      ARG  21  -3.000   2.381   6.786
  146    HE   ARG  21           HE       ARG  21  -3.377  -0.180   7.776
  147   1HH1  ARG  21          HH21      ARG  21  -3.175   3.008   9.093
  148   2HH1  ARG  21          HH22      ARG  21  -4.247   2.670  10.409
  149   1HH2  ARG  21          HH11      ARG  21  -4.770  -0.633   9.489
  150   2HH2  ARG  21          HH12      ARG  21  -5.152   0.612  10.632
  151    H    SER  22           HN       SER  22  -4.607  -0.062   4.823
  152    HA   SER  22           HA       SER  22  -6.748   0.435   4.000
  153   1HB   SER  22           HB2      SER  22  -6.044   2.736   4.479
  154   2HB   SER  22           HB1      SER  22  -5.239   2.836   2.916
  155    HG   SER  22           HG       SER  22  -7.896   3.049   3.566
  156    H    GLY  23           HN       GLY  23  -4.787  -1.110   2.312
  157   1HA   GLY  23           HA2      GLY  23  -5.076  -2.215   0.236
  158   2HA   GLY  23           HA1      GLY  23  -6.396  -1.107  -0.135
  159    H    LYS  24           HN       LYS  24  -4.102   0.948   0.830
  160    HA   LYS  24           HA       LYS  24  -2.892   1.124  -1.891
  161   1HB   LYS  24           HB2      LYS  24  -3.176   3.579  -0.219
  162   2HB   LYS  24           HB1      LYS  24  -3.257   3.409  -1.970
  163   1HG   LYS  24           HG2      LYS  24  -5.423   1.922  -1.130
  164   2HG   LYS  24           HG1      LYS  24  -5.392   3.252   0.025
  165   1HD   LYS  24           HD2      LYS  24  -5.872   4.833  -1.565
  166   2HD   LYS  24           HD1      LYS  24  -4.983   3.978  -2.827
  167   1HE   LYS  24           HE2      LYS  24  -6.846   2.925  -3.545
  168   2HE   LYS  24           HE1      LYS  24  -7.278   2.440  -1.905
  169   1HZ   LYS  24           HZ1      LYS  24  -7.634   5.243  -2.700
  170   2HZ   LYS  24           HZ2      LYS  24  -8.501   4.322  -1.565
  171   3HZ   LYS  24           HZ3      LYS  24  -8.766   4.095  -3.227
  172   1H    CYS  25           H1       CYS  25   2.329   2.803   1.666
  173    H    CYS  25           HN       CYS  25  -0.912   2.770  -1.682
  174    HA   CYS  25           HA       CYS  25   0.958   1.438   0.097
  175   1HB   CYS  25           HB2      CYS  25   1.103   3.333  -2.104
  176   2HB   CYS  25           HB1      CYS  25   2.177   3.798  -0.786
  Start of MODEL   12
    1   2H    CYS   1           HT2      CYS   1  11.191   2.698  -5.623
    2   3H    CYS   1           HT3      CYS   1  10.661   1.204  -6.237
    3    HA   CYS   1           HA       CYS   1   9.252   0.797  -4.502
    4   1HB   CYS   1           HB2      CYS   1   9.534   2.120  -2.325
    5   2HB   CYS   1           HB1      CYS   1  10.776   0.923  -2.677
    6    H    LYS   2           HN       LYS   2   7.339   2.032  -3.812
    7    HA   LYS   2           HA       LYS   2   7.085   4.577  -5.354
    8   1HB   LYS   2           HB2      LYS   2   5.241   2.328  -4.703
    9   2HB   LYS   2           HB1      LYS   2   4.536   3.942  -4.807
   10   1HG   LYS   2           HG2      LYS   2   6.431   3.201  -6.973
   11   2HG   LYS   2           HG1      LYS   2   4.885   2.351  -6.967
   12   1HD   LYS   2           HD2      LYS   2   3.887   4.761  -6.612
   13   2HD   LYS   2           HD1      LYS   2   5.429   5.286  -7.291
   14   1HE   LYS   2           HE2      LYS   2   4.143   5.058  -9.221
   15   2HE   LYS   2           HE1      LYS   2   4.903   3.469  -9.125
   16   1HZ   LYS   2           HZ1      LYS   2   2.976   2.502  -8.329
   17   2HZ   LYS   2           HZ2      LYS   2   2.379   3.611  -9.469
   18   3HZ   LYS   2           HZ3      LYS   2   2.314   3.974  -7.811
   19    H    GLY   3           HN       GLY   3   5.065   5.874  -4.250
   20   1HA   GLY   3           HA2      GLY   3   5.811   6.177  -1.366
   21   2HA   GLY   3           HA1      GLY   3   5.380   7.543  -2.397
   22    H    LYS   4           HN       LYS   4   3.944   7.051  -0.010
   23    HA   LYS   4           HA       LYS   4   1.681   5.446  -0.173
   24   1HB   LYS   4           HB2      LYS   4   0.822   6.744   1.550
   25   2HB   LYS   4           HB1      LYS   4   2.534   7.081   1.682
   26   1HG   LYS   4           HG2      LYS   4   1.990   9.038   0.017
   27   2HG   LYS   4           HG1      LYS   4   0.348   8.825   0.613
   28   1HD   LYS   4           HD2      LYS   4   1.365   8.942   2.974
   29   2HD   LYS   4           HD1      LYS   4   2.817   9.562   2.186
   30   1HE   LYS   4           HE2      LYS   4   0.783  11.054   1.031
   31   2HE   LYS   4           HE1      LYS   4   0.270  10.907   2.711
   32   1HZ   LYS   4           HZ1      LYS   4   2.879  11.918   1.725
   33   2HZ   LYS   4           HZ2      LYS   4   2.527  11.628   3.362
   34   3HZ   LYS   4           HZ3      LYS   4   1.666  12.814   2.501
   35    H    GLY   5           HN       GLY   5  -0.517   5.969  -0.827
   36   1HA   GLY   5           HA2      GLY   5  -2.125   7.235  -2.112
   37   2HA   GLY   5           HA1      GLY   5  -0.791   8.174  -2.796
   38    H    ALA   6           HN       ALA   6   0.851   5.820  -3.298
   39    HA   ALA   6           HA       ALA   6  -0.208   5.111  -5.904
   40   1HB   ALA   6           HB1      ALA   6   2.214   5.308  -5.578
   41   2HB   ALA   6           HB2      ALA   6   1.815   3.652  -6.032
   42   3HB   ALA   6           HB3      ALA   6   2.171   4.044  -4.349
   43    H    LYS   7           HN       LYS   7  -2.242   4.234  -5.042
   44    HA   LYS   7           HA       LYS   7  -2.874   2.262  -3.358
   45   1HB   LYS   7           HB2      LYS   7  -4.568   1.480  -4.877
   46   2HB   LYS   7           HB1      LYS   7  -4.354   3.208  -5.175
   47   1HG   LYS   7           HG2      LYS   7  -2.443   1.936  -6.787
   48   2HG   LYS   7           HG1      LYS   7  -3.911   0.988  -6.968
   49   1HD   LYS   7           HD2      LYS   7  -4.326   3.910  -7.015
   50   2HD   LYS   7           HD1      LYS   7  -3.400   3.271  -8.375
   51   1HE   LYS   7           HE2      LYS   7  -5.172   1.669  -8.877
   52   2HE   LYS   7           HE1      LYS   7  -6.083   2.192  -7.461
   53   1HZ   LYS   7           HZ1      LYS   7  -6.555   3.174  -9.836
   54   2HZ   LYS   7           HZ2      LYS   7  -5.287   4.224  -9.409
   55   3HZ   LYS   7           HZ3      LYS   7  -6.682   4.135  -8.443
   56    H    CYS   8           HN       CYS   8  -2.770  -0.039  -3.242
   57    HA   CYS   8           HA       CYS   8  -1.019  -1.420  -5.196
   58   1HB   CYS   8           HB2      CYS   8   0.393  -2.340  -3.372
   59   2HB   CYS   8           HB1      CYS   8   0.519  -0.584  -3.467
   60    H    SER   9           HN       SER   9  -0.725  -3.817  -3.845
   61    HA   SER   9           HA       SER   9  -3.522  -4.780  -3.814
   62   1HB   SER   9           HB2      SER   9  -0.844  -6.044  -4.214
   63   2HB   SER   9           HB1      SER   9  -2.171  -7.048  -3.639
   64    HG   SER   9           HG       SER   9  -2.504  -7.133  -5.746
   65    H    ARG  10           HN       ARG  10  -1.237  -6.656  -2.077
   66    HA   ARG  10           HA       ARG  10  -2.024  -5.525   0.535
   67   1HB   ARG  10           HB2      ARG  10  -3.519  -7.590  -0.525
   68   2HB   ARG  10           HB1      ARG  10  -2.329  -8.450   0.452
   69   1HG   ARG  10           HG2      ARG  10  -2.906  -6.696   2.289
   70   2HG   ARG  10           HG1      ARG  10  -4.355  -6.400   1.327
   71   1HD   ARG  10           HD2      ARG  10  -3.614  -9.229   1.988
   72   2HD   ARG  10           HD1      ARG  10  -4.378  -8.236   3.229
   73    HE   ARG  10           HE       ARG  10  -5.990  -7.868   1.007
   74   1HH1  ARG  10          HH21      ARG  10  -4.740 -10.563   2.772
   75   2HH1  ARG  10          HH22      ARG  10  -6.101 -11.578   2.432
   76   1HH2  ARG  10          HH11      ARG  10  -7.767  -9.183   0.562
   77   2HH2  ARG  10          HH12      ARG  10  -7.813 -10.798   1.183
   78    H    LEU  11           HN       LEU  11  -0.059  -5.296   1.472
   79    HA   LEU  11           HA       LEU  11   2.069  -5.851   2.291
   80   1HB   LEU  11           HB2      LEU  11   1.176  -8.662   1.597
   81   2HB   LEU  11           HB1      LEU  11   2.595  -8.255   2.554
   82    HG   LEU  11           HG       LEU  11  -0.267  -8.235   3.319
   83   1HD1  LEU  11          HD11      LEU  11   0.677  -8.836   5.462
   84   2HD1  LEU  11          HD12      LEU  11   2.286  -8.335   4.943
   85   3HD1  LEU  11          HD13      LEU  11   1.523  -9.749   4.213
   86   1HD2  LEU  11          HD21      LEU  11   0.106  -5.821   3.384
   87   2HD2  LEU  11          HD22      LEU  11   1.639  -6.048   4.224
   88   3HD2  LEU  11          HD23      LEU  11   0.123  -6.440   5.035
   89    H    MET  12           HN       MET  12   1.534  -5.274  -0.590
   90    HA   MET  12           HA       MET  12   3.106  -6.904  -2.305
   91   1HB   MET  12           HB2      MET  12   2.119  -4.091  -2.344
   92   2HB   MET  12           HB1      MET  12   3.443  -4.487  -3.442
   93   1HG   MET  12           HG2      MET  12   1.101  -6.348  -3.298
   94   2HG   MET  12           HG1      MET  12   0.924  -4.836  -4.189
   95   1HE   MET  12           HE1      MET  12   0.780  -7.892  -4.909
   96   2HE   MET  12           HE2      MET  12   2.319  -8.483  -4.286
   97   3HE   MET  12           HE3      MET  12   2.020  -8.485  -6.023
   98    H    TYR  13           HN       TYR  13   4.032  -4.664   0.171
   99    HA   TYR  13           HA       TYR  13   6.144  -4.013   0.950
  100   1HB   TYR  13           HB2      TYR  13   6.901  -6.467  -0.655
  101   2HB   TYR  13           HB1      TYR  13   8.036  -5.584   0.365
  102    HD1  TYR  13           HD1      TYR  13   6.075  -8.394   0.339
  103    HD2  TYR  13           HD2      TYR  13   6.799  -4.929   2.771
  104    HE1  TYR  13           HE1      TYR  13   5.243  -9.617   2.327
  105    HE2  TYR  13           HE2      TYR  13   5.966  -6.151   4.760
  106    HH   TYR  13           HH       TYR  13   4.639  -9.437   4.477
  107    H    ASP  14           HN       ASP  14   5.111  -2.821  -1.519
  108    HA   ASP  14           HA       ASP  14   7.677  -2.308  -2.964
  109   1HB   ASP  14           HB2      ASP  14   4.855  -2.489  -3.830
  110   2HB   ASP  14           HB1      ASP  14   5.769  -1.155  -4.534
  111    H    CYS  15           HN       CYS  15   5.007  -0.832  -1.211
  112    HA   CYS  15           HA       CYS  15   5.473   1.893  -1.839
  113   1HB   CYS  15           HB2      CYS  15   4.833   0.998   0.970
  114   2HB   CYS  15           HB1      CYS  15   4.299   2.451   0.127
  115    H    CYS  16           HN       CYS  16   7.144   3.111  -1.572
  116    HA   CYS  16           HA       CYS  16   9.576   2.232  -0.341
  117   1HB   CYS  16           HB2      CYS  16   8.996   4.049  -2.198
  118   2HB   CYS  16           HB1      CYS  16   9.016   5.122  -0.807
  119    H    THR  17           HN       THR  17   6.792   3.977   0.840
  120    HA   THR  17           HA       THR  17   8.229   4.854   3.270
  121    HB   THR  17           HB       THR  17   6.028   5.871   3.871
  122    HG1  THR  17           HG1      THR  17   4.381   5.006   2.926
  123   1HG2  THR  17          HG21      THR  17   6.439   7.677   2.542
  124   2HG2  THR  17          HG22      THR  17   6.389   6.723   1.060
  125   3HG2  THR  17          HG23      THR  17   7.848   6.737   2.049
  126    H    GLY  18           HN       GLY  18   5.261   4.272   4.453
  127   1HA   GLY  18           HA2      GLY  18   6.051   2.058   6.051
  128   2HA   GLY  18           HA1      GLY  18   4.385   2.604   5.846
  129    H    SER  19           HN       SER  19   3.078   1.061   5.004
  130    HA   SER  19           HA       SER  19   4.094  -0.618   2.785
  131   1HB   SER  19           HB2      SER  19   3.313  -2.690   3.863
  132   2HB   SER  19           HB1      SER  19   4.561  -1.915   4.837
  133    HG   SER  19           HG       SER  19   2.498  -0.836   5.771
  134    H    CYS  20           HN       CYS  20   2.137  -2.077   2.029
  135    HA   CYS  20           HA       CYS  20   0.099  -0.494   1.015
  136   1HB   CYS  20           HB2      CYS  20   0.226  -3.414   1.719
  137   2HB   CYS  20           HB1      CYS  20  -1.291  -2.724   1.143
  138    H    ARG  21           HN       ARG  21  -1.004   0.938   2.343
  139    HA   ARG  21           HA       ARG  21  -2.217  -0.159   4.842
  140   1HB   ARG  21           HB2      ARG  21  -0.753   1.878   5.033
  141   2HB   ARG  21           HB1      ARG  21  -1.906   2.744   4.018
  142   1HG   ARG  21           HG2      ARG  21  -3.388   2.988   5.714
  143   2HG   ARG  21           HG1      ARG  21  -3.168   1.322   6.256
  144   1HD   ARG  21           HD2      ARG  21  -0.750   2.760   6.784
  145   2HD   ARG  21           HD1      ARG  21  -2.100   3.700   7.418
  146    HE   ARG  21           HE       ARG  21  -2.628   1.123   8.286
  147   1HH1  ARG  21          HH21      ARG  21   0.039   3.314   8.436
  148   2HH1  ARG  21          HH22      ARG  21   0.620   2.704   9.950
  149   1HH2  ARG  21          HH11      ARG  21  -1.879   0.323  10.261
  150   2HH2  ARG  21          HH12      ARG  21  -0.462   1.014  10.981
  151    H    SER  22           HN       SER  22  -4.426  -0.324   4.975
  152    HA   SER  22           HA       SER  22  -6.648  -0.358   4.213
  153   1HB   SER  22           HB2      SER  22  -6.431   2.224   2.813
  154   2HB   SER  22           HB1      SER  22  -7.509   1.742   4.118
  155    HG   SER  22           HG       SER  22  -6.168   2.600   5.487
  156    H    GLY  23           HN       GLY  23  -4.366  -1.189   2.363
  157   1HA   GLY  23           HA2      GLY  23  -4.589  -2.321   0.260
  158   2HA   GLY  23           HA1      GLY  23  -6.040  -1.375  -0.069
  159    H    LYS  24           HN       LYS  24  -4.404   1.074   0.875
  160    HA   LYS  24           HA       LYS  24  -3.179   1.538  -1.790
  161   1HB   LYS  24           HB2      LYS  24  -3.883   3.545   0.372
  162   2HB   LYS  24           HB1      LYS  24  -3.349   3.923  -1.267
  163   1HG   LYS  24           HG2      LYS  24  -5.383   3.447  -2.184
  164   2HG   LYS  24           HG1      LYS  24  -5.680   2.106  -1.077
  165   1HD   LYS  24           HD2      LYS  24  -7.177   3.539  -0.126
  166   2HD   LYS  24           HD1      LYS  24  -5.745   4.218   0.651
  167   1HE   LYS  24           HE2      LYS  24  -5.702   6.064  -0.726
  168   2HE   LYS  24           HE1      LYS  24  -6.409   5.195  -2.089
  169   1HZ   LYS  24           HZ1      LYS  24  -7.754   6.370   0.256
  170   2HZ   LYS  24           HZ2      LYS  24  -8.485   5.102  -0.606
  171   3HZ   LYS  24           HZ3      LYS  24  -8.115   6.565  -1.388
  172   1H    CYS  25           H1       CYS  25   2.300   2.872   1.413
  173    H    CYS  25           HN       CYS  25  -1.077   2.720  -1.850
  174    HA   CYS  25           HA       CYS  25   0.818   1.528  -0.046
  175   1HB   CYS  25           HB2      CYS  25   0.902   3.413  -2.307
  176   2HB   CYS  25           HB1      CYS  25   2.158   3.686  -1.106
  Start of MODEL   13
    1   2H    CYS   1           HT2      CYS   1  10.700   2.791  -5.863
    2   3H    CYS   1           HT3      CYS   1  10.697   1.104  -6.054
    3    HA   CYS   1           HA       CYS   1   9.446   0.729  -4.221
    4   1HB   CYS   1           HB2      CYS   1   9.404   2.623  -2.399
    5   2HB   CYS   1           HB1      CYS   1  10.772   1.516  -2.478
    6    H    LYS   2           HN       LYS   2   7.300   1.515  -3.589
    7    HA   LYS   2           HA       LYS   2   6.136   3.210  -5.676
    8   1HB   LYS   2           HB2      LYS   2   5.048   1.593  -3.382
    9   2HB   LYS   2           HB1      LYS   2   4.017   2.755  -4.215
   10   1HG   LYS   2           HG2      LYS   2   5.615   0.692  -5.733
   11   2HG   LYS   2           HG1      LYS   2   4.007   0.335  -5.102
   12   1HD   LYS   2           HD2      LYS   2   3.034   2.146  -6.385
   13   2HD   LYS   2           HD1      LYS   2   4.630   2.696  -6.898
   14   1HE   LYS   2           HE2      LYS   2   3.320   0.057  -7.608
   15   2HE   LYS   2           HE1      LYS   2   3.627   1.404  -8.703
   16   1HZ   LYS   2           HZ1      LYS   2   5.365  -0.127  -9.026
   17   2HZ   LYS   2           HZ2      LYS   2   5.612  -0.336  -7.359
   18   3HZ   LYS   2           HZ3      LYS   2   6.034   1.131  -8.107
   19    H    GLY   3           HN       GLY   3   4.188   4.657  -4.476
   20   1HA   GLY   3           HA2      GLY   3   5.665   6.430  -2.568
   21   2HA   GLY   3           HA1      GLY   3   4.653   7.075  -3.861
   22    H    LYS   4           HN       LYS   4   4.183   7.704  -1.142
   23    HA   LYS   4           HA       LYS   4   2.292   6.091   0.180
   24   1HB   LYS   4           HB2      LYS   4   3.001   9.000   0.156
   25   2HB   LYS   4           HB1      LYS   4   1.554   8.483   1.010
   26   1HG   LYS   4           HG2      LYS   4   2.757   7.603   2.693
   27   2HG   LYS   4           HG1      LYS   4   3.787   6.720   1.572
   28   1HD   LYS   4           HD2      LYS   4   4.100   9.685   2.090
   29   2HD   LYS   4           HD1      LYS   4   4.976   8.459   3.007
   30   1HE   LYS   4           HE2      LYS   4   5.089   8.887   0.007
   31   2HE   LYS   4           HE1      LYS   4   6.378   9.214   1.166
   32   1HZ   LYS   4           HZ1      LYS   4   6.000   6.720   1.763
   33   2HZ   LYS   4           HZ2      LYS   4   6.962   7.147   0.430
   34   3HZ   LYS   4           HZ3      LYS   4   5.357   6.640   0.197
   35    H    GLY   5           HN       GLY   5  -0.064   6.551   0.375
   36   1HA   GLY   5           HA2      GLY   5  -2.160   6.576  -0.702
   37   2HA   GLY   5           HA1      GLY   5  -1.612   8.132  -1.322
   38    H    ALA   6           HN       ALA   6   0.209   5.280  -2.104
   39    HA   ALA   6           HA       ALA   6  -0.253   5.729  -4.943
   40   1HB   ALA   6           HB1      ALA   6   1.380   3.748  -3.367
   41   2HB   ALA   6           HB2      ALA   6   1.946   5.061  -4.400
   42   3HB   ALA   6           HB3      ALA   6   1.220   3.623  -5.119
   43    H    LYS   7           HN       LYS   7  -2.518   4.664  -3.151
   44    HA   LYS   7           HA       LYS   7  -4.072   2.847  -3.145
   45   1HB   LYS   7           HB2      LYS   7  -5.209   2.816  -5.332
   46   2HB   LYS   7           HB1      LYS   7  -4.793   4.473  -4.874
   47   1HG   LYS   7           HG2      LYS   7  -2.725   4.312  -6.204
   48   2HG   LYS   7           HG1      LYS   7  -3.171   2.684  -6.690
   49   1HD   LYS   7           HD2      LYS   7  -4.982   5.054  -7.184
   50   2HD   LYS   7           HD1      LYS   7  -3.756   4.551  -8.350
   51   1HE   LYS   7           HE2      LYS   7  -4.819   2.193  -8.119
   52   2HE   LYS   7           HE1      LYS   7  -6.193   3.044  -7.413
   53   1HZ   LYS   7           HZ1      LYS   7  -6.828   3.738  -9.406
   54   2HZ   LYS   7           HZ2      LYS   7  -5.663   2.705 -10.088
   55   3HZ   LYS   7           HZ3      LYS   7  -5.283   4.332  -9.778
   56    H    CYS   8           HN       CYS   8  -1.570   1.738  -3.083
   57    HA   CYS   8           HA       CYS   8  -1.060  -0.126  -5.226
   58   1HB   CYS   8           HB2      CYS   8   0.590  -1.102  -3.723
   59   2HB   CYS   8           HB1      CYS   8   0.676   0.653  -3.598
   60    H    SER   9           HN       SER   9  -0.647  -2.501  -3.562
   61    HA   SER   9           HA       SER   9  -3.489  -3.389  -3.437
   62   1HB   SER   9           HB2      SER   9  -1.547  -4.526  -4.842
   63   2HB   SER   9           HB1      SER   9  -1.181  -5.291  -3.299
   64    HG   SER   9           HG       SER   9  -3.826  -5.203  -4.249
   65    H    ARG  10           HN       ARG  10  -2.362  -5.790  -1.849
   66    HA   ARG  10           HA       ARG  10  -2.142  -4.419   0.792
   67   1HB   ARG  10           HB2      ARG  10  -3.744  -6.919   0.154
   68   2HB   ARG  10           HB1      ARG  10  -3.559  -6.198   1.754
   69   1HG   ARG  10           HG2      ARG  10  -5.344  -4.903   1.311
   70   2HG   ARG  10           HG1      ARG  10  -4.386  -4.097   0.067
   71   1HD   ARG  10           HD2      ARG  10  -6.180  -4.861  -1.199
   72   2HD   ARG  10           HD1      ARG  10  -5.057  -6.211  -1.375
   73    HE   ARG  10           HE       ARG  10  -6.525  -6.876   0.872
   74   1HH1  ARG  10          HH21      ARG  10  -7.234  -5.926  -2.373
   75   2HH1  ARG  10          HH22      ARG  10  -8.700  -6.841  -2.455
   76   1HH2  ARG  10          HH11      ARG  10  -8.434  -8.074   0.772
   77   2HH2  ARG  10          HH12      ARG  10  -9.379  -8.056  -0.679
   78    H    LEU  11           HN       LEU  11  -0.077  -4.853   1.382
   79    HA   LEU  11           HA       LEU  11   1.680  -6.198   2.211
   80   1HB   LEU  11           HB2      LEU  11  -0.430  -7.999   2.125
   81   2HB   LEU  11           HB1      LEU  11   0.792  -8.757   1.102
   82    HG   LEU  11           HG       LEU  11   2.136  -7.693   3.371
   83   1HD1  LEU  11          HD11      LEU  11   1.014  -8.756   5.220
   84   2HD1  LEU  11          HD12      LEU  11  -0.169  -9.499   4.145
   85   3HD1  LEU  11          HD13      LEU  11  -0.179  -7.754   4.393
   86   1HD2  LEU  11          HD21      LEU  11   1.444 -10.600   3.039
   87   2HD2  LEU  11          HD22      LEU  11   2.977  -9.871   3.517
   88   3HD2  LEU  11          HD23      LEU  11   2.457  -9.807   1.833
   89    H    MET  12           HN       MET  12   2.063  -4.836  -0.075
   90    HA   MET  12           HA       MET  12   3.131  -6.785  -2.063
   91   1HB   MET  12           HB2      MET  12   2.293  -3.902  -2.198
   92   2HB   MET  12           HB1      MET  12   3.457  -4.520  -3.371
   93   1HG   MET  12           HG2      MET  12   0.999  -6.143  -2.873
   94   2HG   MET  12           HG1      MET  12   0.827  -4.661  -3.814
   95   1HE   MET  12           HE1      MET  12   2.011  -5.320  -7.139
   96   2HE   MET  12           HE2      MET  12   1.633  -4.140  -5.888
   97   3HE   MET  12           HE3      MET  12   0.447  -5.370  -6.315
   98    H    TYR  13           HN       TYR  13   4.084  -4.629   0.430
   99    HA   TYR  13           HA       TYR  13   6.201  -3.955   1.188
  100   1HB   TYR  13           HB2      TYR  13   6.841  -6.433  -0.413
  101   2HB   TYR  13           HB1      TYR  13   8.107  -5.510   0.395
  102    HD1  TYR  13           HD1      TYR  13   8.365  -5.556   2.778
  103    HD2  TYR  13           HD2      TYR  13   4.990  -7.448   0.916
  104    HE1  TYR  13           HE1      TYR  13   7.803  -6.662   4.923
  105    HE2  TYR  13           HE2      TYR  13   4.425  -8.554   3.060
  106    HH   TYR  13           HH       TYR  13   5.272  -9.095   5.126
  107    H    ASP  14           HN       ASP  14   5.302  -2.364  -0.831
  108    HA   ASP  14           HA       ASP  14   7.749  -1.971  -2.509
  109   1HB   ASP  14           HB2      ASP  14   4.867  -1.983  -3.232
  110   2HB   ASP  14           HB1      ASP  14   5.849  -0.720  -3.971
  111    H    CYS  15           HN       CYS  15   5.274  -0.532  -0.490
  112    HA   CYS  15           HA       CYS  15   5.529   2.191  -0.992
  113   1HB   CYS  15           HB2      CYS  15   5.507   0.921   1.755
  114   2HB   CYS  15           HB1      CYS  15   5.053   2.580   1.369
  115    H    CYS  16           HN       CYS  16   7.162   3.488  -1.111
  116    HA   CYS  16           HA       CYS  16   9.859   2.749  -0.506
  117   1HB   CYS  16           HB2      CYS  16   8.804   4.508  -2.157
  118   2HB   CYS  16           HB1      CYS  16   8.994   5.595  -0.789
  119    H    THR  17           HN       THR  17   7.381   3.864   1.565
  120    HA   THR  17           HA       THR  17   9.467   4.647   3.559
  121    HB   THR  17           HB       THR  17   7.834   6.313   4.458
  122    HG1  THR  17           HG1      THR  17   5.929   5.528   3.663
  123   1HG2  THR  17          HG21      THR  17   8.137   7.938   2.604
  124   2HG2  THR  17          HG22      THR  17   8.624   6.611   1.548
  125   3HG2  THR  17          HG23      THR  17   9.612   7.035   2.947
  126    H    GLY  18           HN       GLY  18   6.973   2.526   2.863
  127   1HA   GLY  18           HA2      GLY  18   7.048   1.397   5.525
  128   2HA   GLY  18           HA1      GLY  18   5.525   2.241   5.244
  129    H    SER  19           HN       SER  19   3.993   0.755   4.764
  130    HA   SER  19           HA       SER  19   4.590  -1.209   2.612
  131   1HB   SER  19           HB2      SER  19   4.890  -2.360   4.803
  132   2HB   SER  19           HB1      SER  19   3.240  -1.922   5.234
  133    HG   SER  19           HG       SER  19   4.195  -3.808   3.431
  134    H    CYS  20           HN       CYS  20   2.556  -2.131   1.698
  135    HA   CYS  20           HA       CYS  20   0.682  -0.185   0.959
  136   1HB   CYS  20           HB2      CYS  20   0.660  -3.179   1.009
  137   2HB   CYS  20           HB1      CYS  20  -0.849  -2.335   0.664
  138    H    ARG  21           HN       ARG  21  -0.947   0.805   2.074
  139    HA   ARG  21           HA       ARG  21  -2.022  -0.587   4.497
  140   1HB   ARG  21           HB2      ARG  21  -0.666   1.290   5.236
  141   2HB   ARG  21           HB1      ARG  21  -1.469   2.367   4.094
  142   1HG   ARG  21           HG2      ARG  21  -3.161   2.738   5.532
  143   2HG   ARG  21           HG1      ARG  21  -3.420   1.007   5.746
  144   1HD   ARG  21           HD2      ARG  21  -1.109   1.363   7.159
  145   2HD   ARG  21           HD1      ARG  21  -1.912   2.910   7.430
  146    HE   ARG  21           HE       ARG  21  -3.902   1.050   7.914
  147   1HH1  ARG  21          HH21      ARG  21  -0.663   1.568   8.998
  148   2HH1  ARG  21          HH22      ARG  21  -0.943   0.888  10.565
  149   1HH2  ARG  21          HH11      ARG  21  -4.276   0.160   9.957
  150   2HH2  ARG  21          HH12      ARG  21  -2.982   0.094  11.108
  151    H    SER  22           HN       SER  22  -4.172  -0.993   4.286
  152    HA   SER  22           HA       SER  22  -6.348  -0.913   3.391
  153   1HB   SER  22           HB2      SER  22  -5.785   1.531   4.520
  154   2HB   SER  22           HB1      SER  22  -6.243   1.992   2.884
  155    HG   SER  22           HG       SER  22  -8.139   1.854   3.936
  156    H    GLY  23           HN       GLY  23  -3.988  -1.119   1.565
  157   1HA   GLY  23           HA2      GLY  23  -4.010  -1.523  -0.800
  158   2HA   GLY  23           HA1      GLY  23  -5.427  -0.488  -0.945
  159    H    LYS  24           HN       LYS  24  -4.266   1.677   0.652
  160    HA   LYS  24           HA       LYS  24  -2.620   2.821  -1.524
  161   1HB   LYS  24           HB2      LYS  24  -3.707   4.142   0.976
  162   2HB   LYS  24           HB1      LYS  24  -2.984   4.959  -0.407
  163   1HG   LYS  24           HG2      LYS  24  -4.866   4.774  -1.665
  164   2HG   LYS  24           HG1      LYS  24  -5.190   3.134  -1.101
  165   1HD   LYS  24           HD2      LYS  24  -5.644   4.558   1.183
  166   2HD   LYS  24           HD1      LYS  24  -6.160   5.720  -0.041
  167   1HE   LYS  24           HE2      LYS  24  -7.068   2.850  -0.168
  168   2HE   LYS  24           HE1      LYS  24  -7.913   4.018   0.847
  169   1HZ   LYS  24           HZ1      LYS  24  -8.877   3.864  -1.378
  170   2HZ   LYS  24           HZ2      LYS  24  -7.395   4.335  -2.061
  171   3HZ   LYS  24           HZ3      LYS  24  -8.260   5.414  -1.073
  172   1H    CYS  25           H1       CYS  25   2.525   3.136   2.321
  173    H    CYS  25           HN       CYS  25  -0.480   3.256  -1.303
  174    HA   CYS  25           HA       CYS  25   1.075   1.959   0.679
  175   1HB   CYS  25           HB2      CYS  25   1.559   3.835  -1.507
  176   2HB   CYS  25           HB1      CYS  25   2.652   4.094  -0.150
  Start of MODEL   14
    1   2H    CYS   1           HT2      CYS   1  11.168   3.778  -5.287
    2   3H    CYS   1           HT3      CYS   1  10.780   2.480  -6.312
    3    HA   CYS   1           HA       CYS   1   9.524   1.391  -4.684
    4   1HB   CYS   1           HB2      CYS   1   9.487   2.527  -2.339
    5   2HB   CYS   1           HB1      CYS   1  10.850   1.489  -2.750
    6    H    LYS   2           HN       LYS   2   7.363   1.997  -4.246
    7    HA   LYS   2           HA       LYS   2   6.547   4.527  -5.465
    8   1HB   LYS   2           HB2      LYS   2   5.098   2.149  -4.311
    9   2HB   LYS   2           HB1      LYS   2   4.225   3.619  -4.738
   10   1HG   LYS   2           HG2      LYS   2   4.131   2.223  -6.671
   11   2HG   LYS   2           HG1      LYS   2   5.344   3.452  -7.032
   12   1HD   LYS   2           HD2      LYS   2   7.080   1.954  -6.946
   13   2HD   LYS   2           HD1      LYS   2   6.309   0.975  -5.696
   14   1HE   LYS   2           HE2      LYS   2   5.170  -0.309  -7.212
   15   2HE   LYS   2           HE1      LYS   2   4.952   1.031  -8.338
   16   1HZ   LYS   2           HZ1      LYS   2   6.745   0.418  -9.460
   17   2HZ   LYS   2           HZ2      LYS   2   6.799  -0.999  -8.524
   18   3HZ   LYS   2           HZ3      LYS   2   7.699   0.367  -8.060
   19    H    GLY   3           HN       GLY   3   5.040   6.015  -4.327
   20   1HA   GLY   3           HA2      GLY   3   5.753   6.237  -1.431
   21   2HA   GLY   3           HA1      GLY   3   5.340   7.611  -2.461
   22    H    LYS   4           HN       LYS   4   3.953   7.091  -0.027
   23    HA   LYS   4           HA       LYS   4   1.664   5.585  -0.018
   24   1HB   LYS   4           HB2      LYS   4   2.545   7.848   1.356
   25   2HB   LYS   4           HB1      LYS   4   0.968   8.300   0.722
   26   1HG   LYS   4           HG2      LYS   4   0.337   5.872   1.563
   27   2HG   LYS   4           HG1      LYS   4   1.689   6.141   2.652
   28   1HD   LYS   4           HD2      LYS   4  -0.232   8.388   2.383
   29   2HD   LYS   4           HD1      LYS   4  -0.829   6.954   3.218
   30   1HE   LYS   4           HE2      LYS   4   0.738   7.132   4.932
   31   2HE   LYS   4           HE1      LYS   4   1.875   8.039   3.934
   32   1HZ   LYS   4           HZ1      LYS   4  -0.365   8.981   5.506
   33   2HZ   LYS   4           HZ2      LYS   4  -0.231   9.682   3.964
   34   3HZ   LYS   4           HZ3      LYS   4   1.064   9.781   5.060
   35    H    GLY   5           HN       GLY   5  -0.447   5.823  -0.790
   36   1HA   GLY   5           HA2      GLY   5  -2.169   6.871  -2.140
   37   2HA   GLY   5           HA1      GLY   5  -0.921   7.876  -2.889
   38    H    ALA   6           HN       ALA   6   0.914   5.628  -3.237
   39    HA   ALA   6           HA       ALA   6   0.006   4.721  -5.823
   40   1HB   ALA   6           HB1      ALA   6   2.130   3.135  -4.541
   41   2HB   ALA   6           HB2      ALA   6   2.454   4.868  -4.557
   42   3HB   ALA   6           HB3      ALA   6   2.153   4.013  -6.069
   43    H    LYS   7           HN       LYS   7  -2.080   3.865  -4.986
   44    HA   LYS   7           HA       LYS   7  -2.797   1.966  -3.267
   45   1HB   LYS   7           HB2      LYS   7  -4.368   1.064  -4.853
   46   2HB   LYS   7           HB1      LYS   7  -4.171   2.780  -5.219
   47   1HG   LYS   7           HG2      LYS   7  -2.133   1.512  -6.645
   48   2HG   LYS   7           HG1      LYS   7  -3.535   0.476  -6.856
   49   1HD   LYS   7           HD2      LYS   7  -4.264   3.281  -7.085
   50   2HD   LYS   7           HD1      LYS   7  -3.017   2.841  -8.252
   51   1HE   LYS   7           HE2      LYS   7  -4.355   1.137  -9.213
   52   2HE   LYS   7           HE1      LYS   7  -5.471   1.131  -7.848
   53   1HZ   LYS   7           HZ1      LYS   7  -5.314   3.719  -8.985
   54   2HZ   LYS   7           HZ2      LYS   7  -6.670   2.711  -8.798
   55   3HZ   LYS   7           HZ3      LYS   7  -5.699   2.583 -10.187
   56    H    CYS   8           HN       CYS   8  -2.667  -0.329  -3.015
   57    HA   CYS   8           HA       CYS   8  -0.928  -1.878  -4.800
   58   1HB   CYS   8           HB2      CYS   8   0.662  -2.476  -2.983
   59   2HB   CYS   8           HB1      CYS   8   0.717  -0.756  -3.357
   60    H    SER   9           HN       SER   9  -0.408  -3.990  -3.003
   61    HA   SER   9           HA       SER   9  -3.166  -5.030  -2.630
   62   1HB   SER   9           HB2      SER   9  -2.138  -7.229  -2.638
   63   2HB   SER   9           HB1      SER   9  -1.492  -6.317  -3.999
   64    HG   SER   9           HG       SER   9   0.409  -6.386  -3.104
   65    H    ARG  10           HN       ARG  10  -1.930  -7.103  -0.751
   66    HA   ARG  10           HA       ARG  10  -2.326  -5.507   1.701
   67   1HB   ARG  10           HB2      ARG  10  -3.470  -7.697   1.449
   68   2HB   ARG  10           HB1      ARG  10  -1.898  -8.491   1.349
   69   1HG   ARG  10           HG2      ARG  10  -1.791  -6.858   3.651
   70   2HG   ARG  10           HG1      ARG  10  -3.361  -7.664   3.701
   71   1HD   ARG  10           HD2      ARG  10  -1.798  -9.746   2.951
   72   2HD   ARG  10           HD1      ARG  10  -0.635  -8.820   3.899
   73    HE   ARG  10           HE       ARG  10  -2.879  -8.901   5.519
   74   1HH1  ARG  10          HH21      ARG  10  -0.941 -11.206   3.823
   75   2HH1  ARG  10          HH22      ARG  10  -1.210 -12.470   4.974
   76   1HH2  ARG  10          HH11      ARG  10  -3.237 -10.547   7.024
   77   2HH2  ARG  10          HH12      ARG  10  -2.510 -12.100   6.782
   78    H    LEU  11           HN       LEU  11   0.232  -7.201  -0.018
   79    HA   LEU  11           HA       LEU  11   2.212  -5.913   1.740
   80   1HB   LEU  11           HB2      LEU  11   1.554  -8.773   1.878
   81   2HB   LEU  11           HB1      LEU  11   3.276  -8.419   1.705
   82    HG   LEU  11           HG       LEU  11   1.401  -7.327   3.823
   83   1HD1  LEU  11          HD11      LEU  11   3.006  -9.640   3.661
   84   2HD1  LEU  11          HD12      LEU  11   2.186  -8.997   5.086
   85   3HD1  LEU  11          HD13      LEU  11   3.848  -8.521   4.733
   86   1HD2  LEU  11          HD21      LEU  11   3.947  -6.320   2.757
   87   2HD2  LEU  11          HD22      LEU  11   3.991  -6.605   4.497
   88   3HD2  LEU  11          HD23      LEU  11   2.779  -5.523   3.812
   89    H    MET  12           HN       MET  12   1.670  -5.448  -0.984
   90    HA   MET  12           HA       MET  12   3.148  -6.951  -2.853
   91   1HB   MET  12           HB2      MET  12   1.967  -4.311  -2.732
   92   2HB   MET  12           HB1      MET  12   3.522  -4.247  -3.564
   93   1HG   MET  12           HG2      MET  12   2.105  -6.593  -4.423
   94   2HG   MET  12           HG1      MET  12   1.045  -5.191  -4.588
   95   1HE   MET  12           HE1      MET  12   0.831  -4.067  -6.458
   96   2HE   MET  12           HE2      MET  12   1.097  -5.568  -7.342
   97   3HE   MET  12           HE3      MET  12   1.867  -4.083  -7.892
   98    H    TYR  13           HN       TYR  13   4.240  -4.868  -0.308
   99    HA   TYR  13           HA       TYR  13   6.391  -4.415   0.486
  100   1HB   TYR  13           HB2      TYR  13   6.828  -6.819  -1.256
  101   2HB   TYR  13           HB1      TYR  13   8.219  -5.968  -0.587
  102    HD1  TYR  13           HD1      TYR  13   6.359  -8.724  -0.006
  103    HD2  TYR  13           HD2      TYR  13   7.474  -5.105   2.016
  104    HE1  TYR  13           HE1      TYR  13   5.982  -9.831   2.179
  105    HE2  TYR  13           HE2      TYR  13   7.101  -6.209   4.203
  106    HH   TYR  13           HH       TYR  13   7.106  -8.597   5.078
  107    H    ASP  14           HN       ASP  14   5.368  -2.867  -1.757
  108    HA   ASP  14           HA       ASP  14   7.964  -2.218  -3.093
  109   1HB   ASP  14           HB2      ASP  14   5.133  -1.971  -4.142
  110   2HB   ASP  14           HB1      ASP  14   6.533  -1.247  -4.930
  111    H    CYS  15           HN       CYS  15   5.202  -1.046  -1.300
  112    HA   CYS  15           HA       CYS  15   5.395   1.736  -1.746
  113   1HB   CYS  15           HB2      CYS  15   4.944   0.555   0.999
  114   2HB   CYS  15           HB1      CYS  15   4.282   2.045   0.328
  115    H    CYS  16           HN       CYS  16   6.937   3.127  -1.412
  116    HA   CYS  16           HA       CYS  16   9.505   2.409  -0.374
  117   1HB   CYS  16           HB2      CYS  16   8.722   4.284  -2.039
  118   2HB   CYS  16           HB1      CYS  16   8.564   5.243  -0.575
  119    H    THR  17           HN       THR  17   6.654   3.842   1.105
  120    HA   THR  17           HA       THR  17   8.153   3.898   3.691
  121    HB   THR  17           HB       THR  17   7.943   6.194   3.223
  122    HG1  THR  17           HG1      THR  17   5.444   6.000   4.398
  123   1HG2  THR  17          HG21      THR  17   6.564   5.950   1.201
  124   2HG2  THR  17          HG22      THR  17   5.896   7.192   2.259
  125   3HG2  THR  17          HG23      THR  17   5.153   5.595   2.198
  126    H    GLY  18           HN       GLY  18   7.085   2.922   5.375
  127   1HA   GLY  18           HA2      GLY  18   5.426   1.695   6.492
  128   2HA   GLY  18           HA1      GLY  18   4.259   2.722   5.657
  129    H    SER  19           HN       SER  19   3.222   0.383   5.817
  130    HA   SER  19           HA       SER  19   4.028  -1.188   3.407
  131   1HB   SER  19           HB2      SER  19   2.066  -2.563   4.953
  132   2HB   SER  19           HB1      SER  19   3.758  -2.995   4.715
  133    HG   SER  19           HG       SER  19   2.563  -2.065   6.906
  134    H    CYS  20           HN       CYS  20   1.744  -2.497   2.785
  135    HA   CYS  20           HA       CYS  20   0.199  -0.558   1.374
  136   1HB   CYS  20           HB2      CYS  20  -0.155  -3.472   2.025
  137   2HB   CYS  20           HB1      CYS  20  -1.483  -2.579   1.283
  138    H    ARG  21           HN       ARG  21  -0.842   1.005   2.594
  139    HA   ARG  21           HA       ARG  21  -2.402   0.165   4.979
  140   1HB   ARG  21           HB2      ARG  21  -1.007   2.075   5.371
  141   2HB   ARG  21           HB1      ARG  21  -1.583   2.869   3.905
  142   1HG   ARG  21           HG2      ARG  21  -2.731   3.848   5.795
  143   2HG   ARG  21           HG1      ARG  21  -3.892   2.875   4.896
  144   1HD   ARG  21           HD2      ARG  21  -3.664   1.050   6.479
  145   2HD   ARG  21           HD1      ARG  21  -2.361   1.891   7.320
  146    HE   ARG  21           HE       ARG  21  -4.502   3.661   7.428
  147   1HH1  ARG  21          HH21      ARG  21  -3.894   0.373   8.290
  148   2HH1  ARG  21          HH22      ARG  21  -5.044   0.365   9.584
  149   1HH2  ARG  21          HH11      ARG  21  -6.005   3.662   9.111
  150   2HH2  ARG  21          HH12      ARG  21  -6.241   2.223  10.046
  151    H    SER  22           HN       SER  22  -4.628   0.171   4.972
  152    HA   SER  22           HA       SER  22  -6.787   0.161   4.047
  153   1HB   SER  22           HB2      SER  22  -6.338   2.632   4.369
  154   2HB   SER  22           HB1      SER  22  -5.845   2.696   2.679
  155    HG   SER  22           HG       SER  22  -8.371   2.115   3.799
  156    H    GLY  23           HN       GLY  23  -4.671  -1.227   2.542
  157   1HA   GLY  23           HA2      GLY  23  -4.734  -2.467   0.523
  158   2HA   GLY  23           HA1      GLY  23  -6.128  -1.513   0.019
  159    H    LYS  24           HN       LYS  24  -4.149   0.858   0.895
  160    HA   LYS  24           HA       LYS  24  -2.913   0.985  -1.811
  161   1HB   LYS  24           HB2      LYS  24  -3.411   3.355  -0.012
  162   2HB   LYS  24           HB1      LYS  24  -3.121   3.349  -1.751
  163   1HG   LYS  24           HG2      LYS  24  -5.270   2.589  -2.243
  164   2HG   LYS  24           HG1      LYS  24  -5.486   1.880  -0.643
  165   1HD   LYS  24           HD2      LYS  24  -6.832   3.832  -0.601
  166   2HD   LYS  24           HD1      LYS  24  -5.356   4.299   0.247
  167   1HE   LYS  24           HE2      LYS  24  -4.779   4.805  -2.433
  168   2HE   LYS  24           HE1      LYS  24  -6.454   5.328  -2.252
  169   1HZ   LYS  24           HZ1      LYS  24  -4.216   6.713  -1.485
  170   2HZ   LYS  24           HZ2      LYS  24  -4.863   6.120  -0.030
  171   3HZ   LYS  24           HZ3      LYS  24  -5.819   7.071  -1.062
  172   1H    CYS  25           H1       CYS  25   2.481   2.782   1.436
  173    H    CYS  25           HN       CYS  25  -0.877   2.453  -1.783
  174    HA   CYS  25           HA       CYS  25   0.993   1.259   0.088
  175   1HB   CYS  25           HB2      CYS  25   1.154   3.147  -2.203
  176   2HB   CYS  25           HB1      CYS  25   2.429   3.282  -0.994
  Start of MODEL   15
    1   2H    CYS   1           HT2      CYS   1  11.751   2.307  -5.313
    2   3H    CYS   1           HT3      CYS   1  10.595   3.019  -6.336
    3    HA   CYS   1           HA       CYS   1   9.373   1.075  -4.671
    4   1HB   CYS   1           HB2      CYS   1   9.658   2.447  -2.562
    5   2HB   CYS   1           HB1      CYS   1  11.087   1.540  -3.047
    6    H    LYS   2           HN       LYS   2   7.354   1.985  -3.908
    7    HA   LYS   2           HA       LYS   2   6.548   4.370  -5.489
    8   1HB   LYS   2           HB2      LYS   2   5.154   1.989  -4.359
    9   2HB   LYS   2           HB1      LYS   2   4.223   3.481  -4.492
   10   1HG   LYS   2           HG2      LYS   2   5.868   2.561  -6.829
   11   2HG   LYS   2           HG1      LYS   2   4.306   1.804  -6.522
   12   1HD   LYS   2           HD2      LYS   2   3.549   4.361  -6.281
   13   2HD   LYS   2           HD1      LYS   2   4.927   4.601  -7.356
   14   1HE   LYS   2           HE2      LYS   2   3.997   2.918  -8.915
   15   2HE   LYS   2           HE1      LYS   2   2.606   2.713  -7.851
   16   1HZ   LYS   2           HZ1      LYS   2   3.015   5.453  -8.395
   17   2HZ   LYS   2           HZ2      LYS   2   1.658   4.489  -8.733
   18   3HZ   LYS   2           HZ3      LYS   2   2.928   4.594  -9.855
   19    H    GLY   3           HN       GLY   3   4.894   5.830  -4.340
   20   1HA   GLY   3           HA2      GLY   3   5.924   6.411  -1.604
   21   2HA   GLY   3           HA1      GLY   3   5.104   7.574  -2.646
   22    H    LYS   4           HN       LYS   4   4.147   7.324  -0.077
   23    HA   LYS   4           HA       LYS   4   2.178   5.344   0.345
   24   1HB   LYS   4           HB2      LYS   4   1.552   6.614   2.179
   25   2HB   LYS   4           HB1      LYS   4   3.192   7.169   1.921
   26   1HG   LYS   4           HG2      LYS   4   2.022   8.950   0.365
   27   2HG   LYS   4           HG1      LYS   4   0.610   8.574   1.347
   28   1HD   LYS   4           HD2      LYS   4   2.367   8.870   3.335
   29   2HD   LYS   4           HD1      LYS   4   3.171   9.890   2.140
   30   1HE   LYS   4           HE2      LYS   4   0.354  10.456   2.106
   31   2HE   LYS   4           HE1      LYS   4   0.942  10.561   3.766
   32   1HZ   LYS   4           HZ1      LYS   4   2.238  11.890   1.449
   33   2HZ   LYS   4           HZ2      LYS   4   2.635  12.082   3.089
   34   3HZ   LYS   4           HZ3      LYS   4   1.149  12.658   2.499
   35    H    GLY   5           HN       GLY   5  -0.142   5.550   0.206
   36   1HA   GLY   5           HA2      GLY   5  -2.161   6.138  -0.840
   37   2HA   GLY   5           HA1      GLY   5  -1.410   7.664  -1.298
   38    H    ALA   6           HN       ALA   6   0.655   5.336  -2.402
   39    HA   ALA   6           HA       ALA   6  -0.255   5.696  -5.148
   40   1HB   ALA   6           HB1      ALA   6   1.955   3.852  -4.263
   41   2HB   ALA   6           HB2      ALA   6   2.180   5.601  -4.323
   42   3HB   ALA   6           HB3      ALA   6   1.791   4.710  -5.795
   43    H    LYS   7           HN       LYS   7  -1.842   3.972  -3.156
   44    HA   LYS   7           HA       LYS   7  -3.059   2.006  -3.225
   45   1HB   LYS   7           HB2      LYS   7  -2.940   3.017  -5.846
   46   2HB   LYS   7           HB1      LYS   7  -2.653   1.276  -5.973
   47   1HG   LYS   7           HG2      LYS   7  -4.616   1.392  -4.072
   48   2HG   LYS   7           HG1      LYS   7  -5.072   2.711  -5.135
   49   1HD   LYS   7           HD2      LYS   7  -6.095   1.056  -6.333
   50   2HD   LYS   7           HD1      LYS   7  -4.474   0.826  -6.987
   51   1HE   LYS   7           HE2      LYS   7  -4.028  -1.005  -5.562
   52   2HE   LYS   7           HE1      LYS   7  -5.356  -0.594  -4.474
   53   1HZ   LYS   7           HZ1      LYS   7  -5.668  -2.495  -6.158
   54   2HZ   LYS   7           HZ2      LYS   7  -5.891  -1.254  -7.297
   55   3HZ   LYS   7           HZ3      LYS   7  -6.925  -1.375  -5.955
   56    H    CYS   8           HN       CYS   8  -2.839  -0.279  -3.311
   57    HA   CYS   8           HA       CYS   8  -0.679  -1.730  -4.392
   58   1HB   CYS   8           HB2      CYS   8   0.813  -1.994  -2.488
   59   2HB   CYS   8           HB1      CYS   8   0.694  -0.284  -2.870
   60    H    SER   9           HN       SER   9  -0.393  -3.893  -3.081
   61    HA   SER   9           HA       SER   9  -3.122  -4.745  -2.297
   62   1HB   SER   9           HB2      SER   9  -1.240  -5.958  -3.856
   63   2HB   SER   9           HB1      SER   9  -0.919  -6.724  -2.303
   64    HG   SER   9           HG       SER   9  -3.560  -6.441  -3.231
   65    H    ARG  10           HN       ARG  10  -2.441  -6.884  -0.586
   66    HA   ARG  10           HA       ARG  10  -2.240  -5.546   1.924
   67   1HB   ARG  10           HB2      ARG  10  -2.293  -8.339   0.977
   68   2HB   ARG  10           HB1      ARG  10  -1.410  -8.107   2.486
   69   1HG   ARG  10           HG2      ARG  10  -3.300  -7.154   3.572
   70   2HG   ARG  10           HG1      ARG  10  -4.161  -6.938   2.047
   71   1HD   ARG  10           HD2      ARG  10  -3.537  -9.677   2.183
   72   2HD   ARG  10           HD1      ARG  10  -4.100  -9.249   3.796
   73    HE   ARG  10           HE       ARG  10  -5.765  -9.623   1.543
   74   1HH1  ARG  10          HH21      ARG  10  -5.217  -7.248   4.008
   75   2HH1  ARG  10          HH22      ARG  10  -6.746  -6.478   3.765
   76   1HH2  ARG  10          HH11      ARG  10  -7.759  -8.644   1.261
   77   2HH2  ARG  10          HH12      ARG  10  -8.186  -7.270   2.226
   78    H    LEU  11           HN       LEU  11   0.194  -7.722   0.439
   79    HA   LEU  11           HA       LEU  11   2.304  -5.938   1.556
   80   1HB   LEU  11           HB2      LEU  11   1.928  -8.883   2.040
   81   2HB   LEU  11           HB1      LEU  11   3.547  -8.182   2.053
   82    HG   LEU  11           HG       LEU  11   2.255  -6.378   3.603
   83   1HD1  LEU  11          HD11      LEU  11   0.495  -8.658   3.412
   84   2HD1  LEU  11          HD12      LEU  11   0.248  -7.143   4.279
   85   3HD1  LEU  11          HD13      LEU  11   1.071  -8.488   5.070
   86   1HD2  LEU  11          HD21      LEU  11   2.972  -8.272   5.466
   87   2HD2  LEU  11          HD22      LEU  11   4.096  -7.157   4.687
   88   3HD2  LEU  11          HD23      LEU  11   3.889  -8.789   4.050
   89    H    MET  12           HN       MET  12   2.191  -5.389  -0.866
   90    HA   MET  12           HA       MET  12   3.310  -7.453  -2.646
   91   1HB   MET  12           HB2      MET  12   1.831  -5.011  -2.984
   92   2HB   MET  12           HB1      MET  12   3.325  -4.912  -3.915
   93   1HG   MET  12           HG2      MET  12   1.427  -5.951  -5.188
   94   2HG   MET  12           HG1      MET  12   2.835  -7.004  -5.039
   95   1HE   MET  12           HE1      MET  12   1.084  -9.690  -5.123
   96   2HE   MET  12           HE2      MET  12   2.065  -9.925  -3.678
   97   3HE   MET  12           HE3      MET  12   2.668  -8.914  -4.989
   98    H    TYR  13           HN       TYR  13   4.472  -5.007  -0.563
   99    HA   TYR  13           HA       TYR  13   6.680  -4.354  -0.091
  100   1HB   TYR  13           HB2      TYR  13   7.710  -6.140  -2.272
  101   2HB   TYR  13           HB1      TYR  13   8.413  -5.793  -0.692
  102    HD1  TYR  13           HD1      TYR  13   6.555  -8.145  -2.583
  103    HD2  TYR  13           HD2      TYR  13   6.967  -6.544   1.382
  104    HE1  TYR  13           HE1      TYR  13   5.454 -10.160  -1.654
  105    HE2  TYR  13           HE2      TYR  13   5.868  -8.561   2.311
  106    HH   TYR  13           HH       TYR  13   5.619 -11.321   0.934
  107    H    ASP  14           HN       ASP  14   5.353  -2.588  -1.620
  108    HA   ASP  14           HA       ASP  14   7.374  -1.820  -3.688
  109   1HB   ASP  14           HB2      ASP  14   5.271  -0.693  -4.798
  110   2HB   ASP  14           HB1      ASP  14   5.595  -2.407  -5.070
  111    H    CYS  15           HN       CYS  15   5.637  -0.941  -0.894
  112    HA   CYS  15           HA       CYS  15   5.536   1.924  -1.363
  113   1HB   CYS  15           HB2      CYS  15   5.553   0.455   1.290
  114   2HB   CYS  15           HB1      CYS  15   4.985   2.098   0.986
  115    H    CYS  16           HN       CYS  16   7.144   3.277  -1.304
  116    HA   CYS  16           HA       CYS  16   9.846   2.502  -0.724
  117   1HB   CYS  16           HB2      CYS  16   8.820   4.438  -2.201
  118   2HB   CYS  16           HB1      CYS  16   8.953   5.356  -0.706
  119    H    THR  17           HN       THR  17   7.262   3.892   1.179
  120    HA   THR  17           HA       THR  17   8.918   3.577   3.602
  121    HB   THR  17           HB       THR  17   9.385   5.894   2.991
  122    HG1  THR  17           HG1      THR  17   9.149   6.294   5.019
  123   1HG2  THR  17          HG21      THR  17   7.686   7.497   2.526
  124   2HG2  THR  17          HG22      THR  17   6.410   6.415   3.086
  125   3HG2  THR  17          HG23      THR  17   7.259   6.072   1.578
  126    H    GLY  18           HN       GLY  18   7.648   2.650   5.133
  127   1HA   GLY  18           HA2      GLY  18   5.669   2.466   6.490
  128   2HA   GLY  18           HA1      GLY  18   4.771   3.349   5.254
  129    H    SER  19           HN       SER  19   3.228   1.466   5.642
  130    HA   SER  19           HA       SER  19   4.014  -0.818   3.876
  131   1HB   SER  19           HB2      SER  19   1.948  -1.219   5.992
  132   2HB   SER  19           HB1      SER  19   3.108  -2.363   5.327
  133    HG   SER  19           HG       SER  19   3.300  -0.941   7.544
  134    H    CYS  20           HN       CYS  20   1.567  -2.042   3.646
  135    HA   CYS  20           HA       CYS  20   0.131  -0.135   1.933
  136   1HB   CYS  20           HB2      CYS  20   0.029  -3.099   2.403
  137   2HB   CYS  20           HB1      CYS  20  -1.340  -2.292   1.633
  138    H    ARG  21           HN       ARG  21  -1.455   1.126   2.813
  139    HA   ARG  21           HA       ARG  21  -3.092  -0.057   5.021
  140   1HB   ARG  21           HB2      ARG  21  -1.720   1.729   5.941
  141   2HB   ARG  21           HB1      ARG  21  -2.210   2.822   4.644
  142   1HG   ARG  21           HG2      ARG  21  -4.432   2.964   5.447
  143   2HG   ARG  21           HG1      ARG  21  -4.243   1.538   6.467
  144   1HD   ARG  21           HD2      ARG  21  -3.431   2.764   8.179
  145   2HD   ARG  21           HD1      ARG  21  -2.290   3.600   7.123
  146    HE   ARG  21           HE       ARG  21  -4.714   4.769   6.499
  147   1HH1  ARG  21          HH21      ARG  21  -2.930   4.153   9.392
  148   2HH1  ARG  21          HH22      ARG  21  -3.545   5.544  10.220
  149   1HH2  ARG  21          HH11      ARG  21  -5.515   6.588   7.570
  150   2HH2  ARG  21          HH12      ARG  21  -5.004   6.916   9.191
  151    H    SER  22           HN       SER  22  -5.262  -0.102   4.617
  152    HA   SER  22           HA       SER  22  -7.281   0.192   3.459
  153   1HB   SER  22           HB2      SER  22  -7.921   2.380   3.274
  154   2HB   SER  22           HB1      SER  22  -6.417   2.675   4.141
  155    HG   SER  22           HG       SER  22  -5.739   3.662   2.426
  156    H    GLY  23           HN       GLY  23  -4.860  -0.888   2.074
  157   1HA   GLY  23           HA2      GLY  23  -4.578  -1.780  -0.096
  158   2HA   GLY  23           HA1      GLY  23  -5.964  -0.829  -0.633
  159    H    LYS  24           HN       LYS  24  -3.820   1.133   1.058
  160    HA   LYS  24           HA       LYS  24  -2.534   1.998  -1.495
  161   1HB   LYS  24           HB2      LYS  24  -3.498   3.678   0.833
  162   2HB   LYS  24           HB1      LYS  24  -2.553   4.302  -0.523
  163   1HG   LYS  24           HG2      LYS  24  -4.285   3.642  -2.094
  164   2HG   LYS  24           HG1      LYS  24  -5.206   2.878  -0.804
  165   1HD   LYS  24           HD2      LYS  24  -6.274   4.865  -0.591
  166   2HD   LYS  24           HD1      LYS  24  -4.788   5.441   0.166
  167   1HE   LYS  24           HE2      LYS  24  -4.065   5.757  -2.392
  168   2HE   LYS  24           HE1      LYS  24  -5.810   5.904  -2.599
  169   1HZ   LYS  24           HZ1      LYS  24  -5.326   7.415  -0.409
  170   2HZ   LYS  24           HZ2      LYS  24  -5.500   8.012  -1.989
  171   3HZ   LYS  24           HZ3      LYS  24  -3.952   7.715  -1.357
  172   1H    CYS  25           H1       CYS  25   2.801   2.825   2.183
  173    H    CYS  25           HN       CYS  25  -0.439   3.112  -1.184
  174    HA   CYS  25           HA       CYS  25   1.257   1.590   0.624
  175   1HB   CYS  25           HB2      CYS  25   1.630   3.610  -1.509
  176   2HB   CYS  25           HB1      CYS  25   2.851   3.635  -0.237
  Start of MODEL   16
    1   2H    CYS   1           HT2      CYS   1  10.403   1.395  -6.784
    2   3H    CYS   1           HT3      CYS   1  11.552   1.497  -5.536
    3    HA   CYS   1           HA       CYS   1   9.137   0.821  -4.970
    4   1HB   CYS   1           HB2      CYS   1   9.384   2.334  -2.844
    5   2HB   CYS   1           HB1      CYS   1  10.581   1.078  -3.149
    6    H    LYS   2           HN       LYS   2   7.342   2.180  -3.749
    7    HA   LYS   2           HA       LYS   2   6.579   4.408  -5.590
    8   1HB   LYS   2           HB2      LYS   2   4.951   2.381  -4.056
    9   2HB   LYS   2           HB1      LYS   2   4.227   3.858  -4.693
   10   1HG   LYS   2           HG2      LYS   2   5.882   2.068  -6.463
   11   2HG   LYS   2           HG1      LYS   2   4.174   1.733  -6.180
   12   1HD   LYS   2           HD2      LYS   2   4.903   4.530  -6.908
   13   2HD   LYS   2           HD1      LYS   2   4.989   3.315  -8.185
   14   1HE   LYS   2           HE2      LYS   2   2.574   2.904  -6.695
   15   2HE   LYS   2           HE1      LYS   2   2.668   4.602  -7.160
   16   1HZ   LYS   2           HZ1      LYS   2   3.451   3.429  -9.411
   17   2HZ   LYS   2           HZ2      LYS   2   1.829   3.814  -9.076
   18   3HZ   LYS   2           HZ3      LYS   2   2.401   2.235  -8.819
   19    H    GLY   3           HN       GLY   3   5.099   6.059  -4.498
   20   1HA   GLY   3           HA2      GLY   3   6.335   6.830  -1.911
   21   2HA   GLY   3           HA1      GLY   3   5.399   7.897  -2.960
   22    H    LYS   4           HN       LYS   4   4.802   7.770  -0.227
   23    HA   LYS   4           HA       LYS   4   2.827   5.877   0.485
   24   1HB   LYS   4           HB2      LYS   4   2.486   7.202   2.355
   25   2HB   LYS   4           HB1      LYS   4   4.104   7.670   1.887
   26   1HG   LYS   4           HG2      LYS   4   2.765   9.453   0.420
   27   2HG   LYS   4           HG1      LYS   4   1.561   9.203   1.683
   28   1HD   LYS   4           HD2      LYS   4   2.833  10.216   3.282
   29   2HD   LYS   4           HD1      LYS   4   4.337   9.552   2.644
   30   1HE   LYS   4           HE2      LYS   4   3.620  11.241   0.622
   31   2HE   LYS   4           HE1      LYS   4   2.995  12.111   2.024
   32   1HZ   LYS   4           HZ1      LYS   4   5.250  12.759   1.648
   33   2HZ   LYS   4           HZ2      LYS   4   5.772  11.143   1.621
   34   3HZ   LYS   4           HZ3      LYS   4   5.197  11.829   3.066
   35    H    GLY   5           HN       GLY   5   0.545   6.101   0.557
   36   1HA   GLY   5           HA2      GLY   5  -1.566   6.659  -0.294
   37   2HA   GLY   5           HA1      GLY   5  -0.908   8.254  -0.650
   38    H    ALA   6           HN       ALA   6   1.067   6.021  -2.161
   39    HA   ALA   6           HA       ALA   6  -0.033   6.714  -4.771
   40   1HB   ALA   6           HB1      ALA   6   2.374   6.637  -4.513
   41   2HB   ALA   6           HB2      ALA   6   1.889   5.354  -5.622
   42   3HB   ALA   6           HB3      ALA   6   2.298   4.969  -3.950
   43    H    LYS   7           HN       LYS   7  -1.679   4.921  -2.994
   44    HA   LYS   7           HA       LYS   7  -2.957   3.001  -3.197
   45   1HB   LYS   7           HB2      LYS   7  -2.768   4.192  -5.738
   46   2HB   LYS   7           HB1      LYS   7  -2.550   2.455  -5.990
   47   1HG   LYS   7           HG2      LYS   7  -4.548   2.591  -4.081
   48   2HG   LYS   7           HG1      LYS   7  -4.932   3.914  -5.165
   49   1HD   LYS   7           HD2      LYS   7  -4.253   1.179  -6.232
   50   2HD   LYS   7           HD1      LYS   7  -5.902   1.596  -5.763
   51   1HE   LYS   7           HE2      LYS   7  -6.177   3.060  -7.511
   52   2HE   LYS   7           HE1      LYS   7  -4.479   3.537  -7.517
   53   1HZ   LYS   7           HZ1      LYS   7  -4.830   0.782  -8.183
   54   2HZ   LYS   7           HZ2      LYS   7  -4.001   2.002  -9.027
   55   3HZ   LYS   7           HZ3      LYS   7  -5.672   1.797  -9.250
   56    H    CYS   8           HN       CYS   8  -2.839   0.698  -3.532
   57    HA   CYS   8           HA       CYS   8  -0.603  -0.652  -4.659
   58   1HB   CYS   8           HB2      CYS   8   0.743  -1.167  -2.745
   59   2HB   CYS   8           HB1      CYS   8   0.557   0.582  -2.776
   60    H    SER   9           HN       SER   9  -0.365  -2.917  -3.260
   61    HA   SER   9           HA       SER   9  -3.145  -3.943  -3.203
   62   1HB   SER   9           HB2      SER   9  -1.574  -5.187  -4.581
   63   2HB   SER   9           HB1      SER   9  -0.458  -5.347  -3.229
   64    HG   SER   9           HG       SER   9  -2.176  -7.080  -3.831
   65    H    ARG  10           HN       ARG  10  -1.258  -6.020  -1.391
   66    HA   ARG  10           HA       ARG  10  -2.151  -4.711   1.145
   67   1HB   ARG  10           HB2      ARG  10  -2.699  -7.342   0.070
   68   2HB   ARG  10           HB1      ARG  10  -1.852  -7.473   1.612
   69   1HG   ARG  10           HG2      ARG  10  -4.222  -7.367   2.081
   70   2HG   ARG  10           HG1      ARG  10  -3.503  -5.834   2.575
   71   1HD   ARG  10           HD2      ARG  10  -4.713  -4.678   1.066
   72   2HD   ARG  10           HD1      ARG  10  -4.307  -5.800  -0.230
   73    HE   ARG  10           HE       ARG  10  -6.811  -5.671   1.081
   74   1HH1  ARG  10          HH21      ARG  10  -4.423  -8.039   0.248
   75   2HH1  ARG  10          HH22      ARG  10  -5.508  -9.371   0.445
   76   1HH2  ARG  10          HH11      ARG  10  -8.219  -7.402   1.310
   77   2HH2  ARG  10          HH12      ARG  10  -7.648  -9.013   1.032
   78    H    LEU  11           HN       LEU  11  -0.078  -7.550   0.516
   79    HA   LEU  11           HA       LEU  11   2.043  -6.154   2.095
   80   1HB   LEU  11           HB2      LEU  11   0.915  -8.811   2.255
   81   2HB   LEU  11           HB1      LEU  11   2.646  -8.908   1.928
   82    HG   LEU  11           HG       LEU  11   2.105  -6.851   3.891
   83   1HD1  LEU  11          HD11      LEU  11   1.204  -9.659   4.600
   84   2HD1  LEU  11          HD12      LEU  11   0.126  -8.281   4.378
   85   3HD1  LEU  11          HD13      LEU  11   1.291  -8.284   5.701
   86   1HD2  LEU  11          HD21      LEU  11   3.475  -9.385   4.619
   87   2HD2  LEU  11          HD22      LEU  11   4.014  -7.718   4.819
   88   3HD2  LEU  11          HD23      LEU  11   4.152  -8.508   3.248
   89    H    MET  12           HN       MET  12   1.551  -5.977  -0.850
   90    HA   MET  12           HA       MET  12   3.413  -7.557  -2.307
   91   1HB   MET  12           HB2      MET  12   2.070  -4.924  -2.723
   92   2HB   MET  12           HB1      MET  12   3.473  -5.282  -3.730
   93   1HG   MET  12           HG2      MET  12   1.220  -7.265  -3.385
   94   2HG   MET  12           HG1      MET  12   1.178  -6.021  -4.634
   95   1HE   MET  12           HE1      MET  12   3.474  -9.264  -3.393
   96   2HE   MET  12           HE2      MET  12   2.780 -10.023  -4.824
   97   3HE   MET  12           HE3      MET  12   1.728  -9.207  -3.670
   98    H    TYR  13           HN       TYR  13   3.874  -4.913  -0.111
   99    HA   TYR  13           HA       TYR  13   5.834  -3.929   0.712
  100   1HB   TYR  13           HB2      TYR  13   6.796  -6.498  -0.487
  101   2HB   TYR  13           HB1      TYR  13   7.995  -5.294  -0.013
  102    HD1  TYR  13           HD1      TYR  13   6.842  -4.043   2.342
  103    HD2  TYR  13           HD2      TYR  13   6.796  -8.168   1.151
  104    HE1  TYR  13           HE1      TYR  13   6.590  -4.723   4.712
  105    HE2  TYR  13           HE2      TYR  13   6.544  -8.851   3.520
  106    HH   TYR  13           HH       TYR  13   5.623  -6.784   5.939
  107    H    ASP  14           HN       ASP  14   4.910  -2.544  -1.353
  108    HA   ASP  14           HA       ASP  14   7.244  -2.164  -3.180
  109   1HB   ASP  14           HB2      ASP  14   4.325  -1.454  -3.602
  110   2HB   ASP  14           HB1      ASP  14   5.628  -1.111  -4.737
  111    H    CYS  15           HN       CYS  15   4.828  -0.531  -1.156
  112    HA   CYS  15           HA       CYS  15   5.387   2.150  -1.611
  113   1HB   CYS  15           HB2      CYS  15   5.198   0.991   1.179
  114   2HB   CYS  15           HB1      CYS  15   4.732   2.607   0.646
  115    H    CYS  16           HN       CYS  16   7.138   3.316  -1.595
  116    HA   CYS  16           HA       CYS  16   9.715   2.282  -0.895
  117   1HB   CYS  16           HB2      CYS  16   8.951   4.198  -2.526
  118   2HB   CYS  16           HB1      CYS  16   9.145   5.211  -1.101
  119    H    THR  17           HN       THR  17   7.223   3.533   1.030
  120    HA   THR  17           HA       THR  17   9.079   3.718   3.328
  121    HB   THR  17           HB       THR  17   7.881   5.852   4.051
  122    HG1  THR  17           HG1      THR  17   6.615   6.819   2.644
  123   1HG2  THR  17          HG21      THR  17  10.209   5.610   2.922
  124   2HG2  THR  17          HG22      THR  17   9.462   7.208   2.957
  125   3HG2  THR  17          HG23      THR  17   9.407   6.239   1.483
  126    H    GLY  18           HN       GLY  18   6.004   5.110   3.828
  127   1HA   GLY  18           HA2      GLY  18   5.127   3.392   5.801
  128   2HA   GLY  18           HA1      GLY  18   4.007   4.251   4.744
  129    H    SER  19           HN       SER  19   3.291   1.746   5.667
  130    HA   SER  19           HA       SER  19   3.934  -0.169   3.498
  131   1HB   SER  19           HB2      SER  19   2.471  -1.706   4.953
  132   2HB   SER  19           HB1      SER  19   4.012  -1.194   5.637
  133    HG   SER  19           HG       SER  19   1.494   0.050   6.084
  134    H    CYS  20           HN       CYS  20   1.610  -1.610   3.286
  135    HA   CYS  20           HA       CYS  20  -0.053   0.213   1.705
  136   1HB   CYS  20           HB2      CYS  20   0.090  -2.744   2.151
  137   2HB   CYS  20           HB1      CYS  20  -1.400  -2.062   1.501
  138    H    ARG  21           HN       ARG  21  -1.676   1.361   2.659
  139    HA   ARG  21           HA       ARG  21  -2.995   0.158   5.053
  140   1HB   ARG  21           HB2      ARG  21  -1.821   2.419   5.237
  141   2HB   ARG  21           HB1      ARG  21  -3.133   3.064   4.253
  142   1HG   ARG  21           HG2      ARG  21  -4.462   1.566   6.161
  143   2HG   ARG  21           HG1      ARG  21  -3.125   2.265   7.073
  144   1HD   ARG  21           HD2      ARG  21  -4.207   4.234   7.131
  145   2HD   ARG  21           HD1      ARG  21  -4.159   4.304   5.369
  146    HE   ARG  21           HE       ARG  21  -6.283   2.607   5.907
  147   1HH1  ARG  21          HH21      ARG  21  -5.312   5.781   6.868
  148   2HH1  ARG  21          HH22      ARG  21  -6.934   6.354   7.066
  149   1HH2  ARG  21          HH11      ARG  21  -8.400   3.346   6.163
  150   2HH2  ARG  21          HH12      ARG  21  -8.679   4.979   6.667
  151    H    SER  22           HN       SER  22  -4.853  -0.765   4.513
  152    HA   SER  22           HA       SER  22  -6.921  -1.163   3.477
  153   1HB   SER  22           HB2      SER  22  -6.871   1.511   4.301
  154   2HB   SER  22           HB1      SER  22  -7.458   1.572   2.640
  155    HG   SER  22           HG       SER  22  -8.728  -0.413   3.598
  156    H    GLY  23           HN       GLY  23  -4.296  -0.690   1.813
  157   1HA   GLY  23           HA2      GLY  23  -4.289  -1.532  -0.522
  158   2HA   GLY  23           HA1      GLY  23  -5.731  -0.560  -0.805
  159    H    LYS  24           HN       LYS  24  -4.338   1.610   0.915
  160    HA   LYS  24           HA       LYS  24  -2.932   2.833  -1.379
  161   1HB   LYS  24           HB2      LYS  24  -3.961   3.915   1.249
  162   2HB   LYS  24           HB1      LYS  24  -2.963   4.875   0.156
  163   1HG   LYS  24           HG2      LYS  24  -4.579   4.773  -1.581
  164   2HG   LYS  24           HG1      LYS  24  -5.466   3.475  -0.785
  165   1HD   LYS  24           HD2      LYS  24  -6.805   5.210  -0.113
  166   2HD   LYS  24           HD1      LYS  24  -5.588   5.344   1.157
  167   1HE   LYS  24           HE2      LYS  24  -5.723   7.541   0.334
  168   2HE   LYS  24           HE1      LYS  24  -4.332   6.882  -0.529
  169   1HZ   LYS  24           HZ1      LYS  24  -6.120   8.097  -1.867
  170   2HZ   LYS  24           HZ2      LYS  24  -7.049   6.690  -1.661
  171   3HZ   LYS  24           HZ3      LYS  24  -5.553   6.614  -2.462
  172   1H    CYS  25           H1       CYS  25   2.626   3.193   2.012
  173    H    CYS  25           HN       CYS  25  -0.782   3.708  -1.156
  174    HA   CYS  25           HA       CYS  25   0.956   2.071   0.496
  175   1HB   CYS  25           HB2      CYS  25   1.261   4.122  -1.593
  176   2HB   CYS  25           HB1      CYS  25   2.530   4.153  -0.370
  Start of MODEL   17
    1   2H    CYS   1           HT2      CYS   1  10.069   1.093  -6.461
    2   3H    CYS   1           HT3      CYS   1  11.279   1.260  -5.279
    3    HA   CYS   1           HA       CYS   1   8.998   0.599  -4.455
    4   1HB   CYS   1           HB2      CYS   1   9.156   2.445  -2.616
    5   2HB   CYS   1           HB1      CYS   1  10.483   1.299  -2.781
    6    H    LYS   2           HN       LYS   2   7.009   1.720  -3.576
    7    HA   LYS   2           HA       LYS   2   5.904   3.475  -5.680
    8   1HB   LYS   2           HB2      LYS   2   4.790   1.743  -3.525
    9   2HB   LYS   2           HB1      LYS   2   3.827   3.135  -4.021
   10   1HG   LYS   2           HG2      LYS   2   5.016   1.423  -6.161
   11   2HG   LYS   2           HG1      LYS   2   3.620   0.799  -5.282
   12   1HD   LYS   2           HD2      LYS   2   2.785   1.999  -7.194
   13   2HD   LYS   2           HD1      LYS   2   2.446   2.984  -5.774
   14   1HE   LYS   2           HE2      LYS   2   4.325   4.421  -6.233
   15   2HE   LYS   2           HE1      LYS   2   4.903   3.346  -7.507
   16   1HZ   LYS   2           HZ1      LYS   2   2.571   5.142  -7.512
   17   2HZ   LYS   2           HZ2      LYS   2   2.582   3.771  -8.514
   18   3HZ   LYS   2           HZ3      LYS   2   3.784   4.960  -8.683
   19    H    GLY   3           HN       GLY   3   4.068   4.986  -4.337
   20   1HA   GLY   3           HA2      GLY   3   5.737   6.630  -2.473
   21   2HA   GLY   3           HA1      GLY   3   4.659   7.356  -3.668
   22    H    LYS   4           HN       LYS   4   4.527   7.678  -0.737
   23    HA   LYS   4           HA       LYS   4   2.635   6.108   0.548
   24   1HB   LYS   4           HB2      LYS   4   3.769   8.658   0.955
   25   2HB   LYS   4           HB1      LYS   4   2.026   8.857   1.098
   26   1HG   LYS   4           HG2      LYS   4   2.191   6.650   2.505
   27   2HG   LYS   4           HG1      LYS   4   3.870   7.127   2.704
   28   1HD   LYS   4           HD2      LYS   4   1.475   8.864   3.364
   29   2HD   LYS   4           HD1      LYS   4   2.466   8.006   4.544
   30   1HE   LYS   4           HE2      LYS   4   4.447   9.283   3.352
   31   2HE   LYS   4           HE1      LYS   4   3.162  10.388   2.861
   32   1HZ   LYS   4           HZ1      LYS   4   4.454  10.510   5.206
   33   2HZ   LYS   4           HZ2      LYS   4   3.084   9.603   5.640
   34   3HZ   LYS   4           HZ3      LYS   4   2.902  11.139   4.937
   35    H    GLY   5           HN       GLY   5   0.387   6.260   0.779
   36   1HA   GLY   5           HA2      GLY   5  -1.769   6.212  -0.179
   37   2HA   GLY   5           HA1      GLY   5  -1.450   7.918  -0.480
   38    H    ALA   6           HN       ALA   6   0.689   5.696  -2.059
   39    HA   ALA   6           HA       ALA   6  -0.329   6.557  -4.656
   40   1HB   ALA   6           HB1      ALA   6   1.572   5.308  -5.570
   41   2HB   ALA   6           HB2      ALA   6   1.883   4.604  -3.982
   42   3HB   ALA   6           HB3      ALA   6   2.098   6.336  -4.238
   43    H    LYS   7           HN       LYS   7  -2.009   4.719  -2.925
   44    HA   LYS   7           HA       LYS   7  -3.346   2.850  -3.211
   45   1HB   LYS   7           HB2      LYS   7  -3.171   4.167  -5.685
   46   2HB   LYS   7           HB1      LYS   7  -2.980   2.444  -6.035
   47   1HG   LYS   7           HG2      LYS   7  -4.948   2.517  -4.085
   48   2HG   LYS   7           HG1      LYS   7  -5.329   3.885  -5.113
   49   1HD   LYS   7           HD2      LYS   7  -4.971   2.243  -7.091
   50   2HD   LYS   7           HD1      LYS   7  -5.132   0.979  -5.872
   51   1HE   LYS   7           HE2      LYS   7  -7.197   3.084  -5.736
   52   2HE   LYS   7           HE1      LYS   7  -7.243   2.102  -7.201
   53   1HZ   LYS   7           HZ1      LYS   7  -8.277   1.408  -4.783
   54   2HZ   LYS   7           HZ2      LYS   7  -6.811   0.548  -4.833
   55   3HZ   LYS   7           HZ3      LYS   7  -7.962   0.345  -6.068
   56    H    CYS   8           HN       CYS   8  -3.283   0.553  -3.700
   57    HA   CYS   8           HA       CYS   8  -1.069  -0.751  -4.918
   58   1HB   CYS   8           HB2      CYS   8   0.287  -1.398  -3.078
   59   2HB   CYS   8           HB1      CYS   8   0.066   0.338  -2.915
   60    H    SER   9           HN       SER   9  -0.892  -3.002  -3.140
   61    HA   SER   9           HA       SER   9  -3.700  -4.008  -3.306
   62   1HB   SER   9           HB2      SER   9  -1.155  -5.110  -4.242
   63   2HB   SER   9           HB1      SER   9  -2.099  -6.249  -3.286
   64    HG   SER   9           HG       SER   9  -3.185  -6.495  -5.068
   65    H    ARG  10           HN       ARG  10  -1.018  -5.698  -1.867
   66    HA   ARG  10           HA       ARG  10  -2.035  -5.062   0.849
   67   1HB   ARG  10           HB2      ARG  10  -1.825  -7.832  -0.353
   68   2HB   ARG  10           HB1      ARG  10  -1.913  -7.549   1.386
   69   1HG   ARG  10           HG2      ARG  10  -4.074  -6.544   1.211
   70   2HG   ARG  10           HG1      ARG  10  -3.952  -6.426  -0.544
   71   1HD   ARG  10           HD2      ARG  10  -4.670  -8.543  -0.830
   72   2HD   ARG  10           HD1      ARG  10  -3.578  -9.165   0.404
   73    HE   ARG  10           HE       ARG  10  -6.368  -8.804   0.732
   74   1HH1  ARG  10          HH21      ARG  10  -3.424  -7.989   2.363
   75   2HH1  ARG  10          HH22      ARG  10  -4.209  -7.671   3.868
   76   1HH2  ARG  10          HH11      ARG  10  -7.379  -8.412   2.695
   77   2HH2  ARG  10          HH12      ARG  10  -6.436  -7.922   4.063
   78    H    LEU  11           HN       LEU  11  -0.105  -7.785   1.048
   79    HA   LEU  11           HA       LEU  11   2.141  -6.200   2.007
   80   1HB   LEU  11           HB2      LEU  11   1.612  -9.168   1.788
   81   2HB   LEU  11           HB1      LEU  11   3.159  -8.528   2.345
   82    HG   LEU  11           HG       LEU  11   1.647  -9.014   4.245
   83   1HD1  LEU  11          HD11      LEU  11   2.247  -7.118   5.410
   84   2HD1  LEU  11          HD12      LEU  11   1.701  -6.032   4.132
   85   3HD1  LEU  11          HD13      LEU  11   3.239  -6.879   3.971
   86   1HD2  LEU  11          HD21      LEU  11  -0.441  -7.877   4.513
   87   2HD2  LEU  11          HD22      LEU  11  -0.444  -8.494   2.862
   88   3HD2  LEU  11          HD23      LEU  11  -0.102  -6.792   3.165
   89    H    MET  12           HN       MET  12   1.952  -5.492  -0.588
   90    HA   MET  12           HA       MET  12   3.543  -7.205  -2.325
   91   1HB   MET  12           HB2      MET  12   2.850  -4.268  -2.637
   92   2HB   MET  12           HB1      MET  12   3.439  -5.342  -3.906
   93   1HG   MET  12           HG2      MET  12   1.140  -6.505  -2.581
   94   2HG   MET  12           HG1      MET  12   0.756  -4.897  -3.189
   95   1HE   MET  12           HE1      MET  12   1.777  -5.044  -6.890
   96   2HE   MET  12           HE2      MET  12   2.431  -4.324  -5.420
   97   3HE   MET  12           HE3      MET  12   0.702  -4.221  -5.751
   98    H    TYR  13           HN       TYR  13   4.239  -5.029   0.190
   99    HA   TYR  13           HA       TYR  13   6.234  -4.067   0.957
  100   1HB   TYR  13           HB2      TYR  13   7.414  -6.327  -0.685
  101   2HB   TYR  13           HB1      TYR  13   8.261  -5.415   0.561
  102    HD1  TYR  13           HD1      TYR  13   6.152  -5.109   2.614
  103    HD2  TYR  13           HD2      TYR  13   7.211  -8.500   0.201
  104    HE1  TYR  13           HE1      TYR  13   5.238  -6.626   4.346
  105    HE2  TYR  13           HE2      TYR  13   6.296 -10.019   1.932
  106    HH   TYR  13           HH       TYR  13   5.857  -9.941   4.401
  107    H    ASP  14           HN       ASP  14   5.196  -2.687  -1.202
  108    HA   ASP  14           HA       ASP  14   7.595  -2.124  -2.896
  109   1HB   ASP  14           HB2      ASP  14   5.266  -2.774  -3.917
  110   2HB   ASP  14           HB1      ASP  14   4.838  -1.108  -3.529
  111    H    CYS  15           HN       CYS  15   5.216  -0.760  -0.701
  112    HA   CYS  15           HA       CYS  15   5.493   1.979  -1.050
  113   1HB   CYS  15           HB2      CYS  15   5.561   0.511   1.605
  114   2HB   CYS  15           HB1      CYS  15   5.202   2.226   1.387
  115    H    CYS  16           HN       CYS  16   7.124   3.285  -1.163
  116    HA   CYS  16           HA       CYS  16   9.833   2.451  -0.763
  117   1HB   CYS  16           HB2      CYS  16   8.694   4.380  -2.189
  118   2HB   CYS  16           HB1      CYS  16   9.071   5.330  -0.760
  119    H    THR  17           HN       THR  17   7.452   3.842   1.361
  120    HA   THR  17           HA       THR  17   9.358   3.632   3.595
  121    HB   THR  17           HB       THR  17   9.592   5.975   2.613
  122    HG1  THR  17           HG1      THR  17  10.247   5.970   4.629
  123   1HG2  THR  17          HG21      THR  17   7.742   7.191   2.232
  124   2HG2  THR  17          HG22      THR  17   7.276   7.047   3.929
  125   3HG2  THR  17          HG23      THR  17   6.762   5.826   2.764
  126    H    GLY  18           HN       GLY  18   7.259   1.984   3.323
  127   1HA   GLY  18           HA2      GLY  18   5.778   2.192   5.670
  128   2HA   GLY  18           HA1      GLY  18   4.796   3.012   4.455
  129    H    SER  19           HN       SER  19   3.157   1.420   4.430
  130    HA   SER  19           HA       SER  19   3.882  -1.030   2.925
  131   1HB   SER  19           HB2      SER  19   3.934  -1.626   5.353
  132   2HB   SER  19           HB1      SER  19   2.257  -1.105   5.485
  133    HG   SER  19           HG       SER  19   2.750  -3.434   5.045
  134    H    CYS  20           HN       CYS  20   1.349  -2.249   3.083
  135    HA   CYS  20           HA       CYS  20  -0.223  -0.321   1.472
  136   1HB   CYS  20           HB2      CYS  20  -0.142  -3.296   1.761
  137   2HB   CYS  20           HB1      CYS  20  -1.656  -2.556   1.247
  138    H    ARG  21           HN       ARG  21  -1.469   0.957   2.789
  139    HA   ARG  21           HA       ARG  21  -3.115  -0.448   4.856
  140   1HB   ARG  21           HB2      ARG  21  -1.390   1.215   5.717
  141   2HB   ARG  21           HB1      ARG  21  -2.330   2.476   4.918
  142   1HG   ARG  21           HG2      ARG  21  -3.969   2.407   6.485
  143   2HG   ARG  21           HG1      ARG  21  -3.948   0.645   6.557
  144   1HD   ARG  21           HD2      ARG  21  -1.508   1.825   7.648
  145   2HD   ARG  21           HD1      ARG  21  -2.953   2.361   8.506
  146    HE   ARG  21           HE       ARG  21  -3.284  -0.387   8.270
  147   1HH1  ARG  21          HH21      ARG  21  -0.862   1.764   9.468
  148   2HH1  ARG  21          HH22      ARG  21  -0.287   0.653  10.665
  149   1HH2  ARG  21          HH11      ARG  21  -2.543  -1.841   9.828
  150   2HH2  ARG  21          HH12      ARG  21  -1.238  -1.383  10.871
  151    H    SER  22           HN       SER  22  -5.296  -0.257   4.600
  152    HA   SER  22           HA       SER  22  -7.351   0.412   3.688
  153   1HB   SER  22           HB2      SER  22  -6.613   2.637   4.610
  154   2HB   SER  22           HB1      SER  22  -5.898   2.994   3.042
  155    HG   SER  22           HG       SER  22  -7.820   3.383   2.285
  156    H    GLY  23           HN       GLY  23  -4.870  -0.535   2.000
  157   1HA   GLY  23           HA2      GLY  23  -5.084  -1.436  -0.237
  158   2HA   GLY  23           HA1      GLY  23  -6.269  -0.179  -0.597
  159    H    LYS  24           HN       LYS  24  -4.425   1.840   0.742
  160    HA   LYS  24           HA       LYS  24  -2.706   2.259  -1.644
  161   1HB   LYS  24           HB2      LYS  24  -3.532   4.172   0.558
  162   2HB   LYS  24           HB1      LYS  24  -2.546   4.600  -0.840
  163   1HG   LYS  24           HG2      LYS  24  -4.324   4.372  -2.333
  164   2HG   LYS  24           HG1      LYS  24  -5.214   3.288  -1.264
  165   1HD   LYS  24           HD2      LYS  24  -4.682   6.068  -0.307
  166   2HD   LYS  24           HD1      LYS  24  -5.922   5.842  -1.539
  167   1HE   LYS  24           HE2      LYS  24  -5.877   4.113   0.927
  168   2HE   LYS  24           HE1      LYS  24  -6.634   5.705   0.959
  169   1HZ   LYS  24           HZ1      LYS  24  -7.318   3.977  -1.282
  170   2HZ   LYS  24           HZ2      LYS  24  -8.293   5.052  -0.400
  171   3HZ   LYS  24           HZ3      LYS  24  -7.926   3.518   0.234
  172   1H    CYS  25           H1       CYS  25   2.384   2.575   2.448
  173    H    CYS  25           HN       CYS  25  -0.548   3.383  -1.120
  174    HA   CYS  25           HA       CYS  25   0.977   1.645   0.603
  175   1HB   CYS  25           HB2      CYS  25   1.507   3.817  -1.257
  176   2HB   CYS  25           HB1      CYS  25   2.526   3.935   0.175
  Start of MODEL   18
    1   2H    CYS   1           HT2      CYS   1  10.882   3.048  -5.809
    2   3H    CYS   1           HT3      CYS   1  10.141   1.812  -6.709
    3    HA   CYS   1           HA       CYS   1   9.047   0.938  -4.826
    4   1HB   CYS   1           HB2      CYS   1   9.462   2.277  -2.615
    5   2HB   CYS   1           HB1      CYS   1  10.604   1.022  -3.084
    6    H    LYS   2           HN       LYS   2   7.016   1.785  -4.312
    7    HA   LYS   2           HA       LYS   2   6.395   4.389  -5.516
    8   1HB   LYS   2           HB2      LYS   2   4.799   2.110  -4.380
    9   2HB   LYS   2           HB1      LYS   2   4.029   3.678  -4.622
   10   1HG   LYS   2           HG2      LYS   2   3.765   2.191  -6.600
   11   2HG   LYS   2           HG1      LYS   2   4.665   3.657  -6.985
   12   1HD   LYS   2           HD2      LYS   2   6.790   2.424  -6.724
   13   2HD   LYS   2           HD1      LYS   2   5.887   0.955  -6.356
   14   1HE   LYS   2           HE2      LYS   2   6.334   0.737  -8.656
   15   2HE   LYS   2           HE1      LYS   2   4.694   1.386  -8.628
   16   1HZ   LYS   2           HZ1      LYS   2   7.034   2.527  -9.724
   17   2HZ   LYS   2           HZ2      LYS   2   6.404   3.560  -8.531
   18   3HZ   LYS   2           HZ3      LYS   2   5.432   3.070  -9.836
   19    H    GLY   3           HN       GLY   3   4.503   5.536  -4.031
   20   1HA   GLY   3           HA2      GLY   3   5.753   5.935  -1.339
   21   2HA   GLY   3           HA1      GLY   3   5.120   7.279  -2.293
   22    H    LYS   4           HN       LYS   4   4.069   6.953   0.232
   23    HA   LYS   4           HA       LYS   4   1.864   5.235   0.513
   24   1HB   LYS   4           HB2      LYS   4   2.646   7.885   1.645
   25   2HB   LYS   4           HB1      LYS   4   1.039   7.264   1.963
   26   1HG   LYS   4           HG2      LYS   4   1.811   5.722   3.409
   27   2HG   LYS   4           HG1      LYS   4   3.072   5.213   2.292
   28   1HD   LYS   4           HD2      LYS   4   4.124   6.119   4.292
   29   2HD   LYS   4           HD1      LYS   4   4.396   7.238   2.955
   30   1HE   LYS   4           HE2      LYS   4   3.187   8.879   3.941
   31   2HE   LYS   4           HE1      LYS   4   1.896   7.765   4.391
   32   1HZ   LYS   4           HZ1      LYS   4   2.797   7.390   6.402
   33   2HZ   LYS   4           HZ2      LYS   4   3.533   8.901   6.147
   34   3HZ   LYS   4           HZ3      LYS   4   4.394   7.469   5.839
   35    H    GLY   5           HN       GLY   5  -0.356   5.569   0.141
   36   1HA   GLY   5           HA2      GLY   5  -2.271   6.450  -0.918
   37   2HA   GLY   5           HA1      GLY   5  -1.352   7.918  -1.252
   38    H    ALA   6           HN       ALA   6   0.612   5.580  -2.391
   39    HA   ALA   6           HA       ALA   6  -0.175   6.086  -5.153
   40   1HB   ALA   6           HB1      ALA   6   1.844   4.888  -5.742
   41   2HB   ALA   6           HB2      ALA   6   1.979   4.235  -4.110
   42   3HB   ALA   6           HB3      ALA   6   2.209   5.960  -4.391
   43    H    LYS   7           HN       LYS   7  -1.980   4.388  -3.391
   44    HA   LYS   7           HA       LYS   7  -3.246   2.463  -3.578
   45   1HB   LYS   7           HB2      LYS   7  -2.924   3.554  -6.142
   46   2HB   LYS   7           HB1      LYS   7  -2.677   1.812  -6.325
   47   1HG   LYS   7           HG2      LYS   7  -4.783   2.006  -4.527
   48   2HG   LYS   7           HG1      LYS   7  -5.117   3.269  -5.700
   49   1HD   LYS   7           HD2      LYS   7  -4.210   0.781  -6.953
   50   2HD   LYS   7           HD1      LYS   7  -5.708   0.584  -6.042
   51   1HE   LYS   7           HE2      LYS   7  -6.590   2.635  -7.243
   52   2HE   LYS   7           HE1      LYS   7  -5.162   2.553  -8.277
   53   1HZ   LYS   7           HZ1      LYS   7  -6.391   0.010  -8.068
   54   2HZ   LYS   7           HZ2      LYS   7  -6.085   0.941  -9.455
   55   3HZ   LYS   7           HZ3      LYS   7  -7.526   1.160  -8.582
   56    H    CYS   8           HN       CYS   8  -3.140   0.138  -3.835
   57    HA   CYS   8           HA       CYS   8  -0.866  -1.265  -4.790
   58   1HB   CYS   8           HB2      CYS   8   0.424  -1.690  -2.862
   59   2HB   CYS   8           HB1      CYS   8   0.128   0.042  -2.810
   60    H    SER   9           HN       SER   9  -0.809  -3.336  -2.777
   61    HA   SER   9           HA       SER   9  -3.613  -4.334  -3.013
   62   1HB   SER   9           HB2      SER   9  -1.146  -5.491  -3.890
   63   2HB   SER   9           HB1      SER   9  -1.830  -6.507  -2.624
   64    HG   SER   9           HG       SER   9  -3.367  -5.493  -4.774
   65    H    ARG  10           HN       ARG  10  -0.925  -5.700  -1.228
   66    HA   ARG  10           HA       ARG  10  -1.996  -4.785   1.345
   67   1HB   ARG  10           HB2      ARG  10  -2.512  -7.497   0.262
   68   2HB   ARG  10           HB1      ARG  10  -1.976  -7.428   1.940
   69   1HG   ARG  10           HG2      ARG  10  -3.796  -5.440   1.989
   70   2HG   ARG  10           HG1      ARG  10  -4.499  -6.442   0.716
   71   1HD   ARG  10           HD2      ARG  10  -3.559  -8.003   3.003
   72   2HD   ARG  10           HD1      ARG  10  -4.811  -6.846   3.445
   73    HE   ARG  10           HE       ARG  10  -5.255  -9.299   2.092
   74   1HH1  ARG  10          HH21      ARG  10  -6.060  -5.944   1.757
   75   2HH1  ARG  10          HH22      ARG  10  -7.379  -6.249   0.680
   76   1HH2  ARG  10          HH11      ARG  10  -6.982  -9.687   0.715
   77   2HH2  ARG  10          HH12      ARG  10  -7.906  -8.358   0.099
   78    H    LEU  11           HN       LEU  11  -0.032  -7.577   0.236
   79    HA   LEU  11           HA       LEU  11   2.120  -6.591   2.054
   80   1HB   LEU  11           HB2      LEU  11   1.426  -9.339   1.009
   81   2HB   LEU  11           HB1      LEU  11   2.988  -8.991   1.750
   82    HG   LEU  11           HG       LEU  11   1.250  -7.858   3.552
   83   1HD1  LEU  11          HD11      LEU  11  -0.033 -10.307   2.319
   84   2HD1  LEU  11          HD12      LEU  11  -0.749  -8.712   2.557
   85   3HD1  LEU  11          HD13      LEU  11  -0.420  -9.747   3.946
   86   1HD2  LEU  11          HD21      LEU  11   3.121  -9.228   4.205
   87   2HD2  LEU  11          HD22      LEU  11   2.428 -10.649   3.421
   88   3HD2  LEU  11          HD23      LEU  11   1.675  -9.988   4.873
   89    H    MET  12           HN       MET  12   1.540  -5.744  -0.810
   90    HA   MET  12           HA       MET  12   3.460  -6.838  -2.590
   91   1HB   MET  12           HB2      MET  12   2.129  -4.152  -2.346
   92   2HB   MET  12           HB1      MET  12   3.425  -4.375  -3.521
   93   1HG   MET  12           HG2      MET  12   1.707  -6.630  -3.739
   94   2HG   MET  12           HG1      MET  12   0.681  -5.196  -3.713
   95   1HE   MET  12           HE1      MET  12   1.865  -7.556  -5.943
   96   2HE   MET  12           HE2      MET  12   3.500  -7.163  -5.423
   97   3HE   MET  12           HE3      MET  12   3.021  -6.867  -7.092
   98    H    TYR  13           HN       TYR  13   3.800  -4.674   0.120
   99    HA   TYR  13           HA       TYR  13   5.680  -3.620   1.048
  100   1HB   TYR  13           HB2      TYR  13   6.603  -6.276   0.039
  101   2HB   TYR  13           HB1      TYR  13   7.826  -5.132   0.593
  102    HD1  TYR  13           HD1      TYR  13   8.518  -5.996   2.677
  103    HD2  TYR  13           HD2      TYR  13   4.329  -5.585   1.819
  104    HE1  TYR  13           HE1      TYR  13   7.980  -6.556   5.030
  105    HE2  TYR  13           HE2      TYR  13   3.792  -6.144   4.172
  106    HH   TYR  13           HH       TYR  13   5.730  -7.632   6.196
  107    H    ASP  14           HN       ASP  14   4.972  -2.789  -1.679
  108    HA   ASP  14           HA       ASP  14   7.634  -2.319  -2.915
  109   1HB   ASP  14           HB2      ASP  14   4.985  -2.636  -3.937
  110   2HB   ASP  14           HB1      ASP  14   5.529  -1.006  -4.338
  111    H    CYS  15           HN       CYS  15   5.136  -0.735  -1.087
  112    HA   CYS  15           HA       CYS  15   5.581   1.979  -1.693
  113   1HB   CYS  15           HB2      CYS  15   5.195   0.946   1.124
  114   2HB   CYS  15           HB1      CYS  15   4.679   2.493   0.452
  115    H    CYS  16           HN       CYS  16   7.265   3.198  -1.574
  116    HA   CYS  16           HA       CYS  16   9.814   2.314  -0.613
  117   1HB   CYS  16           HB2      CYS  16   9.010   4.170  -2.360
  118   2HB   CYS  16           HB1      CYS  16   9.210   5.207  -0.956
  119    H    THR  17           HN       THR  17   7.103   3.607   0.998
  120    HA   THR  17           HA       THR  17   8.795   4.582   3.254
  121    HB   THR  17           HB       THR  17   6.708   5.682   4.045
  122    HG1  THR  17           HG1      THR  17   5.672   4.072   2.112
  123   1HG2  THR  17          HG21      THR  17   6.477   7.210   1.966
  124   2HG2  THR  17          HG22      THR  17   7.729   6.188   1.257
  125   3HG2  THR  17          HG23      THR  17   8.059   7.093   2.735
  126    H    GLY  18           HN       GLY  18   5.786   4.017   4.507
  127   1HA   GLY  18           HA2      GLY  18   6.693   1.735   6.026
  128   2HA   GLY  18           HA1      GLY  18   5.073   2.428   6.081
  129    H    SER  19           HN       SER  19   3.652   0.809   5.644
  130    HA   SER  19           HA       SER  19   4.275  -0.985   3.328
  131   1HB   SER  19           HB2      SER  19   4.119  -1.906   5.813
  132   2HB   SER  19           HB1      SER  19   2.388  -1.822   5.503
  133    HG   SER  19           HG       SER  19   2.608  -3.555   4.353
  134    H    CYS  20           HN       CYS  20   1.871  -2.142   2.894
  135    HA   CYS  20           HA       CYS  20   0.364  -0.117   1.555
  136   1HB   CYS  20           HB2      CYS  20  -0.030  -3.014   2.178
  137   2HB   CYS  20           HB1      CYS  20  -1.434  -2.085   1.654
  138    H    ARG  21           HN       ARG  21  -1.804   0.628   2.041
  139    HA   ARG  21           HA       ARG  21  -2.761   0.219   4.814
  140   1HB   ARG  21           HB2      ARG  21  -1.271   2.191   4.920
  141   2HB   ARG  21           HB1      ARG  21  -2.207   2.961   3.640
  142   1HG   ARG  21           HG2      ARG  21  -4.137   3.147   5.015
  143   2HG   ARG  21           HG1      ARG  21  -3.490   2.015   6.205
  144   1HD   ARG  21           HD2      ARG  21  -1.818   3.590   6.917
  145   2HD   ARG  21           HD1      ARG  21  -2.183   4.672   5.573
  146    HE   ARG  21           HE       ARG  21  -4.587   4.469   6.940
  147   1HH1  ARG  21          HH21      ARG  21  -1.317   5.264   7.725
  148   2HH1  ARG  21          HH22      ARG  21  -1.752   6.350   9.001
  149   1HH2  ARG  21          HH11      ARG  21  -5.164   5.882   8.603
  150   2HH2  ARG  21          HH12      ARG  21  -3.927   6.698   9.499
  151    H    SER  22           HN       SER  22  -4.920  -0.126   4.694
  152    HA   SER  22           HA       SER  22  -7.085  -0.220   3.799
  153   1HB   SER  22           HB2      SER  22  -6.386   2.558   2.812
  154   2HB   SER  22           HB1      SER  22  -8.000   1.915   3.101
  155    HG   SER  22           HG       SER  22  -7.709   2.100   5.208
  156    H    GLY  23           HN       GLY  23  -4.716  -0.984   2.053
  157   1HA   GLY  23           HA2      GLY  23  -4.934  -2.105  -0.086
  158   2HA   GLY  23           HA1      GLY  23  -6.245  -1.000  -0.496
  159    H    LYS  24           HN       LYS  24  -4.553   1.300   0.551
  160    HA   LYS  24           HA       LYS  24  -3.059   1.691  -1.969
  161   1HB   LYS  24           HB2      LYS  24  -3.873   3.579   0.252
  162   2HB   LYS  24           HB1      LYS  24  -2.841   4.067  -1.093
  163   1HG   LYS  24           HG2      LYS  24  -4.698   3.124  -2.615
  164   2HG   LYS  24           HG1      LYS  24  -5.709   3.150  -1.175
  165   1HD   LYS  24           HD2      LYS  24  -5.867   5.421  -1.165
  166   2HD   LYS  24           HD1      LYS  24  -4.191   5.635  -1.671
  167   1HE   LYS  24           HE2      LYS  24  -4.707   5.422  -3.939
  168   2HE   LYS  24           HE1      LYS  24  -6.192   4.527  -3.619
  169   1HZ   LYS  24           HZ1      LYS  24  -6.563   6.845  -4.336
  170   2HZ   LYS  24           HZ2      LYS  24  -5.782   7.384  -2.927
  171   3HZ   LYS  24           HZ3      LYS  24  -7.231   6.502  -2.816
  172   1H    CYS  25           H1       CYS  25   2.559   2.851   1.417
  173    H    CYS  25           HN       CYS  25  -0.955   3.112  -1.554
  174    HA   CYS  25           HA       CYS  25   0.844   1.390  -0.058
  175   1HB   CYS  25           HB2      CYS  25   1.070   3.577  -1.953
  176   2HB   CYS  25           HB1      CYS  25   2.196   3.786  -0.612
  Start of MODEL   19
    1   2H    CYS   1           HT2      CYS   1  11.505   1.690  -5.596
    2   3H    CYS   1           HT3      CYS   1  10.787   3.149  -6.095
    3    HA   CYS   1           HA       CYS   1   9.212   0.981  -4.833
    4   1HB   CYS   1           HB2      CYS   1   9.415   2.543  -2.782
    5   2HB   CYS   1           HB1      CYS   1  10.765   1.467  -3.127
    6    H    LYS   2           HN       LYS   2   7.354   2.200  -3.634
    7    HA   LYS   2           HA       LYS   2   6.374   4.345  -5.474
    8   1HB   LYS   2           HB2      LYS   2   5.057   2.014  -4.157
    9   2HB   LYS   2           HB1      LYS   2   4.104   3.486  -4.350
   10   1HG   LYS   2           HG2      LYS   2   5.644   2.775  -6.747
   11   2HG   LYS   2           HG1      LYS   2   4.448   1.559  -6.294
   12   1HD   LYS   2           HD2      LYS   2   3.134   4.005  -5.944
   13   2HD   LYS   2           HD1      LYS   2   4.033   4.191  -7.452
   14   1HE   LYS   2           HE2      LYS   2   2.651   1.594  -7.094
   15   2HE   LYS   2           HE1      LYS   2   1.600   2.995  -7.307
   16   1HZ   LYS   2           HZ1      LYS   2   2.786   3.561  -9.314
   17   2HZ   LYS   2           HZ2      LYS   2   2.214   1.965  -9.421
   18   3HZ   LYS   2           HZ3      LYS   2   3.855   2.265  -9.096
   19    H    GLY   3           HN       GLY   3   4.757   5.843  -4.346
   20   1HA   GLY   3           HA2      GLY   3   5.839   6.541  -1.652
   21   2HA   GLY   3           HA1      GLY   3   5.073   7.686  -2.755
   22    H    LYS   4           HN       LYS   4   4.273   7.151   0.025
   23    HA   LYS   4           HA       LYS   4   2.070   5.434   0.250
   24   1HB   LYS   4           HB2      LYS   4   1.629   6.531   2.239
   25   2HB   LYS   4           HB1      LYS   4   3.315   6.929   2.000
   26   1HG   LYS   4           HG2      LYS   4   2.352   9.008   0.715
   27   2HG   LYS   4           HG1      LYS   4   0.901   8.669   1.651
   28   1HD   LYS   4           HD2      LYS   4   1.950   9.085   3.695
   29   2HD   LYS   4           HD1      LYS   4   3.559   8.772   3.044
   30   1HE   LYS   4           HE2      LYS   4   2.759  11.254   3.510
   31   2HE   LYS   4           HE1      LYS   4   3.734  10.880   2.090
   32   1HZ   LYS   4           HZ1      LYS   4   1.873  10.915   0.711
   33   2HZ   LYS   4           HZ2      LYS   4   1.637  12.244   1.742
   34   3HZ   LYS   4           HZ3      LYS   4   0.781  10.799   2.004
   35    H    GLY   5           HN       GLY   5  -0.198   5.895   0.158
   36   1HA   GLY   5           HA2      GLY   5  -2.147   6.920  -0.697
   37   2HA   GLY   5           HA1      GLY   5  -1.170   8.320  -1.131
   38    H    ALA   6           HN       ALA   6   0.630   6.101  -2.544
   39    HA   ALA   6           HA       ALA   6  -0.588   6.525  -5.151
   40   1HB   ALA   6           HB1      ALA   6   1.382   5.270  -5.996
   41   2HB   ALA   6           HB2      ALA   6   1.851   4.934  -4.329
   42   3HB   ALA   6           HB3      ALA   6   1.842   6.596  -4.925
   43    H    LYS   7           HN       LYS   7  -2.259   4.920  -3.428
   44    HA   LYS   7           HA       LYS   7  -3.437   2.912  -3.416
   45   1HB   LYS   7           HB2      LYS   7  -3.090   3.797  -6.106
   46   2HB   LYS   7           HB1      LYS   7  -3.005   2.032  -6.083
   47   1HG   LYS   7           HG2      LYS   7  -5.047   2.464  -4.348
   48   2HG   LYS   7           HG1      LYS   7  -5.267   3.812  -5.446
   49   1HD   LYS   7           HD2      LYS   7  -5.418   2.359  -7.356
   50   2HD   LYS   7           HD1      LYS   7  -4.923   0.964  -6.397
   51   1HE   LYS   7           HE2      LYS   7  -7.331   0.879  -6.683
   52   2HE   LYS   7           HE1      LYS   7  -6.983   1.267  -4.999
   53   1HZ   LYS   7           HZ1      LYS   7  -7.906   3.072  -7.148
   54   2HZ   LYS   7           HZ2      LYS   7  -7.163   3.675  -5.744
   55   3HZ   LYS   7           HZ3      LYS   7  -8.608   2.789  -5.630
   56    H    CYS   8           HN       CYS   8  -3.259   0.512  -3.878
   57    HA   CYS   8           HA       CYS   8  -0.821  -0.730  -4.624
   58   1HB   CYS   8           HB2      CYS   8   0.284  -1.175  -2.586
   59   2HB   CYS   8           HB1      CYS   8  -0.095   0.538  -2.511
   60    H    SER   9           HN       SER   9  -0.722  -3.027  -3.278
   61    HA   SER   9           HA       SER   9  -3.500  -4.078  -3.498
   62   1HB   SER   9           HB2      SER   9  -0.798  -5.235  -4.038
   63   2HB   SER   9           HB1      SER   9  -2.091  -6.322  -3.538
   64    HG   SER   9           HG       SER   9  -2.692  -4.423  -5.485
   65    H    ARG  10           HN       ARG  10  -1.189  -6.079  -1.935
   66    HA   ARG  10           HA       ARG  10  -2.316  -5.305   0.716
   67   1HB   ARG  10           HB2      ARG  10  -1.799  -8.147  -0.207
   68   2HB   ARG  10           HB1      ARG  10  -2.538  -7.647   1.314
   69   1HG   ARG  10           HG2      ARG  10  -3.663  -7.178  -1.463
   70   2HG   ARG  10           HG1      ARG  10  -4.278  -8.324  -0.271
   71   1HD   ARG  10           HD2      ARG  10  -4.182  -5.917   1.124
   72   2HD   ARG  10           HD1      ARG  10  -4.740  -5.448  -0.482
   73    HE   ARG  10           HE       ARG  10  -6.270  -7.683   0.159
   74   1HH1  ARG  10          HH21      ARG  10  -5.566  -4.614   1.577
   75   2HH1  ARG  10          HH22      ARG  10  -7.097  -4.489   2.377
   76   1HH2  ARG  10          HH11      ARG  10  -8.269  -7.531   1.199
   77   2HH2  ARG  10          HH12      ARG  10  -8.623  -6.138   2.166
   78    H    LEU  11           HN       LEU  11  -0.245  -8.059   0.702
   79    HA   LEU  11           HA       LEU  11   1.883  -6.396   1.919
   80   1HB   LEU  11           HB2      LEU  11   1.052  -9.243   2.075
   81   2HB   LEU  11           HB1      LEU  11   2.785  -8.935   2.191
   82    HG   LEU  11           HG       LEU  11   1.783  -6.980   3.826
   83   1HD1  LEU  11          HD11      LEU  11   0.087  -9.459   4.258
   84   2HD1  LEU  11          HD12      LEU  11  -0.506  -7.950   3.562
   85   3HD1  LEU  11          HD13      LEU  11   0.062  -7.986   5.230
   86   1HD2  LEU  11          HD21      LEU  11   3.182  -9.498   4.066
   87   2HD2  LEU  11          HD22      LEU  11   2.130  -9.263   5.460
   88   3HD2  LEU  11          HD23      LEU  11   3.342  -8.048   5.056
   89    H    MET  12           HN       MET  12   2.274  -5.595  -0.415
   90    HA   MET  12           HA       MET  12   3.837  -7.543  -2.026
   91   1HB   MET  12           HB2      MET  12   2.735  -4.785  -2.607
   92   2HB   MET  12           HB1      MET  12   3.855  -5.603  -3.696
   93   1HG   MET  12           HG2      MET  12   1.294  -6.896  -2.740
   94   2HG   MET  12           HG1      MET  12   1.372  -5.922  -4.209
   95   1HE   MET  12           HE1      MET  12   0.500  -9.026  -3.921
   96   2HE   MET  12           HE2      MET  12   1.169  -9.629  -5.436
   97   3HE   MET  12           HE3      MET  12   0.390  -8.049  -5.391
   98    H    TYR  13           HN       TYR  13   4.188  -4.581  -0.157
   99    HA   TYR  13           HA       TYR  13   6.157  -3.679   0.780
  100   1HB   TYR  13           HB2      TYR  13   7.774  -5.651  -0.837
  101   2HB   TYR  13           HB1      TYR  13   8.200  -4.872   0.685
  102    HD1  TYR  13           HD1      TYR  13   5.548  -5.229   2.109
  103    HD2  TYR  13           HD2      TYR  13   7.939  -7.948  -0.200
  104    HE1  TYR  13           HE1      TYR  13   4.586  -7.139   3.363
  105    HE2  TYR  13           HE2      TYR  13   6.976  -9.859   1.050
  106    HH   TYR  13           HH       TYR  13   4.347  -9.920   2.575
  107    H    ASP  14           HN       ASP  14   4.920  -2.646  -1.559
  108    HA   ASP  14           HA       ASP  14   7.181  -1.943  -3.357
  109   1HB   ASP  14           HB2      ASP  14   4.370  -0.924  -3.691
  110   2HB   ASP  14           HB1      ASP  14   5.586  -1.255  -4.926
  111    H    CYS  15           HN       CYS  15   5.170  -0.624  -0.835
  112    HA   CYS  15           HA       CYS  15   5.486   2.154  -1.292
  113   1HB   CYS  15           HB2      CYS  15   5.552   0.816   1.423
  114   2HB   CYS  15           HB1      CYS  15   5.018   2.453   1.043
  115    H    CYS  16           HN       CYS  16   7.177   3.415  -1.304
  116    HA   CYS  16           HA       CYS  16   9.848   2.461  -0.968
  117   1HB   CYS  16           HB2      CYS  16   8.840   4.495  -2.295
  118   2HB   CYS  16           HB1      CYS  16   9.130   5.361  -0.793
  119    H    THR  17           HN       THR  17   7.613   4.075   1.243
  120    HA   THR  17           HA       THR  17   9.508   3.503   3.438
  121    HB   THR  17           HB       THR  17   9.859   5.679   4.130
  122    HG1  THR  17           HG1      THR  17   8.323   7.348   3.199
  123   1HG2  THR  17          HG21      THR  17  10.722   5.336   1.770
  124   2HG2  THR  17          HG22      THR  17  10.468   7.019   2.234
  125   3HG2  THR  17          HG23      THR  17   9.293   6.202   1.204
  126    H    GLY  18           HN       GLY  18   6.938   2.408   2.749
  127   1HA   GLY  18           HA2      GLY  18   5.612   2.755   5.317
  128   2HA   GLY  18           HA1      GLY  18   4.686   3.450   3.987
  129    H    SER  19           HN       SER  19   3.032   1.838   4.371
  130    HA   SER  19           HA       SER  19   3.606  -0.695   2.950
  131   1HB   SER  19           HB2      SER  19   2.212  -1.831   4.871
  132   2HB   SER  19           HB1      SER  19   3.940  -1.573   5.090
  133    HG   SER  19           HG       SER  19   3.530  -0.114   6.563
  134    H    CYS  20           HN       CYS  20   1.454  -1.881   2.551
  135    HA   CYS  20           HA       CYS  20  -0.409  -0.141   1.326
  136   1HB   CYS  20           HB2      CYS  20  -0.427  -3.012   2.139
  137   2HB   CYS  20           HB1      CYS  20  -1.982  -2.269   1.761
  138    H    ARG  21           HN       ARG  21  -1.923   1.186   2.216
  139    HA   ARG  21           HA       ARG  21  -2.847   0.544   4.989
  140   1HB   ARG  21           HB2      ARG  21  -1.395   2.547   4.874
  141   2HB   ARG  21           HB1      ARG  21  -2.537   3.288   3.757
  142   1HG   ARG  21           HG2      ARG  21  -4.292   3.236   5.432
  143   2HG   ARG  21           HG1      ARG  21  -3.259   2.330   6.538
  144   1HD   ARG  21           HD2      ARG  21  -1.931   4.173   7.027
  145   2HD   ARG  21           HD1      ARG  21  -2.283   4.963   5.490
  146    HE   ARG  21           HE       ARG  21  -4.728   4.920   6.791
  147   1HH1  ARG  21          HH21      ARG  21  -1.527   5.988   7.534
  148   2HH1  ARG  21          HH22      ARG  21  -2.060   7.281   8.555
  149   1HH2  ARG  21          HH11      ARG  21  -5.430   6.594   8.119
  150   2HH2  ARG  21          HH12      ARG  21  -4.267   7.623   8.889
  151    H    SER  22           HN       SER  22  -4.750  -0.394   4.533
  152    HA   SER  22           HA       SER  22  -7.044  -0.493   4.042
  153   1HB   SER  22           HB2      SER  22  -7.116   2.295   3.006
  154   2HB   SER  22           HB1      SER  22  -8.229   1.471   4.094
  155    HG   SER  22           HG       SER  22  -6.215   1.526   5.539
  156    H    GLY  23           HN       GLY  23  -4.627  -0.120   1.823
  157   1HA   GLY  23           HA2      GLY  23  -5.401  -1.441  -0.303
  158   2HA   GLY  23           HA1      GLY  23  -6.492  -0.072  -0.502
  159    H    LYS  24           HN       LYS  24  -4.450   1.860   0.516
  160    HA   LYS  24           HA       LYS  24  -2.850   1.983  -1.990
  161   1HB   LYS  24           HB2      LYS  24  -2.892   4.280  -0.101
  162   2HB   LYS  24           HB1      LYS  24  -2.924   4.274  -1.861
  163   1HG   LYS  24           HG2      LYS  24  -5.310   3.073  -1.283
  164   2HG   LYS  24           HG1      LYS  24  -5.144   4.206   0.057
  165   1HD   LYS  24           HD2      LYS  24  -4.394   5.826  -1.954
  166   2HD   LYS  24           HD1      LYS  24  -5.471   4.753  -2.848
  167   1HE   LYS  24           HE2      LYS  24  -7.323   5.579  -1.832
  168   2HE   LYS  24           HE1      LYS  24  -6.546   5.617  -0.250
  169   1HZ   LYS  24           HZ1      LYS  24  -5.738   7.703  -0.587
  170   2HZ   LYS  24           HZ2      LYS  24  -7.156   7.813  -1.515
  171   3HZ   LYS  24           HZ3      LYS  24  -5.662   7.540  -2.273
  172   1H    CYS  25           H1       CYS  25   2.398   2.657   1.915
  173    H    CYS  25           HN       CYS  25  -0.681   3.278  -1.558
  174    HA   CYS  25           HA       CYS  25   0.875   1.569   0.225
  175   1HB   CYS  25           HB2      CYS  25   1.429   3.472  -1.878
  176   2HB   CYS  25           HB1      CYS  25   2.456   3.789  -0.484
  Start of MODEL   20
    1   2H    CYS   1           HT2      CYS   1  10.474   1.771  -6.598
    2   3H    CYS   1           HT3      CYS   1  11.433   2.686  -5.536
    3    HA   CYS   1           HA       CYS   1   9.283   1.252  -4.803
    4   1HB   CYS   1           HB2      CYS   1   9.323   2.847  -2.772
    5   2HB   CYS   1           HB1      CYS   1  10.803   1.970  -3.153
    6    H    LYS   2           HN       LYS   2   7.321   2.240  -3.530
    7    HA   LYS   2           HA       LYS   2   5.909   4.044  -5.440
    8   1HB   LYS   2           HB2      LYS   2   5.076   1.804  -3.672
    9   2HB   LYS   2           HB1      LYS   2   3.929   3.134  -3.857
   10   1HG   LYS   2           HG2      LYS   2   4.971   2.602  -6.438
   11   2HG   LYS   2           HG1      LYS   2   4.564   1.042  -5.727
   12   1HD   LYS   2           HD2      LYS   2   2.457   2.804  -5.041
   13   2HD   LYS   2           HD1      LYS   2   2.790   3.061  -6.757
   14   1HE   LYS   2           HE2      LYS   2   2.919   0.360  -6.655
   15   2HE   LYS   2           HE1      LYS   2   1.745   0.656  -5.373
   16   1HZ   LYS   2           HZ1      LYS   2   0.775   2.275  -7.182
   17   2HZ   LYS   2           HZ2      LYS   2   0.368   0.624  -7.162
   18   3HZ   LYS   2           HZ3      LYS   2   1.548   1.199  -8.240
   19    H    GLY   3           HN       GLY   3   4.334   5.585  -4.398
   20   1HA   GLY   3           HA2      GLY   3   5.605   6.803  -1.992
   21   2HA   GLY   3           HA1      GLY   3   4.588   7.667  -3.144
   22    H    LYS   4           HN       LYS   4   4.032   7.825  -0.403
   23    HA   LYS   4           HA       LYS   4   2.219   5.911   0.595
   24   1HB   LYS   4           HB2      LYS   4   2.834   8.771   1.113
   25   2HB   LYS   4           HB1      LYS   4   1.336   8.133   1.761
   26   1HG   LYS   4           HG2      LYS   4   2.391   6.751   3.230
   27   2HG   LYS   4           HG1      LYS   4   3.717   6.425   2.125
   28   1HD   LYS   4           HD2      LYS   4   4.296   7.798   4.214
   29   2HD   LYS   4           HD1      LYS   4   4.810   8.475   2.668
   30   1HE   LYS   4           HE2      LYS   4   3.762  10.214   4.055
   31   2HE   LYS   4           HE1      LYS   4   2.779   9.894   2.627
   32   1HZ   LYS   4           HZ1      LYS   4   1.413  10.003   4.604
   33   2HZ   LYS   4           HZ2      LYS   4   2.328   8.773   5.340
   34   3HZ   LYS   4           HZ3      LYS   4   1.388   8.431   3.967
   35    H    GLY   5           HN       GLY   5  -0.030   5.876   0.611
   36   1HA   GLY   5           HA2      GLY   5  -2.166   6.016  -0.349
   37   2HA   GLY   5           HA1      GLY   5  -1.793   7.718  -0.614
   38    H    ALA   6           HN       ALA   6   0.488   5.738  -2.170
   39    HA   ALA   6           HA       ALA   6  -0.594   6.489  -4.775
   40   1HB   ALA   6           HB1      ALA   6   1.457   5.348  -5.636
   41   2HB   ALA   6           HB2      ALA   6   1.848   4.887  -3.980
   42   3HB   ALA   6           HB3      ALA   6   1.807   6.590  -4.433
   43    H    LYS   7           HN       LYS   7  -2.103   4.477  -3.099
   44    HA   LYS   7           HA       LYS   7  -3.213   2.476  -3.384
   45   1HB   LYS   7           HB2      LYS   7  -3.214   3.822  -5.823
   46   2HB   LYS   7           HB1      LYS   7  -2.779   2.153  -6.221
   47   1HG   LYS   7           HG2      LYS   7  -4.750   1.947  -4.249
   48   2HG   LYS   7           HG1      LYS   7  -5.317   3.209  -5.327
   49   1HD   LYS   7           HD2      LYS   7  -4.316   1.257  -7.050
   50   2HD   LYS   7           HD1      LYS   7  -5.142   0.339  -5.791
   51   1HE   LYS   7           HE2      LYS   7  -7.165   1.721  -6.114
   52   2HE   LYS   7           HE1      LYS   7  -6.342   2.619  -7.390
   53   1HZ   LYS   7           HZ1      LYS   7  -7.834   0.636  -8.016
   54   2HZ   LYS   7           HZ2      LYS   7  -6.517  -0.317  -7.520
   55   3HZ   LYS   7           HZ3      LYS   7  -6.329   0.803  -8.783
   56    H    CYS   8           HN       CYS   8  -2.918   0.213  -3.759
   57    HA   CYS   8           HA       CYS   8  -0.620  -0.906  -5.019
   58   1HB   CYS   8           HB2      CYS   8   0.845  -1.354  -3.206
   59   2HB   CYS   8           HB1      CYS   8   0.442   0.354  -3.074
   60    H    SER   9           HN       SER   9  -0.175  -3.082  -3.206
   61    HA   SER   9           HA       SER   9  -2.776  -4.477  -3.543
   62   1HB   SER   9           HB2      SER   9  -1.515  -6.523  -3.452
   63   2HB   SER   9           HB1      SER   9  -0.629  -5.423  -4.503
   64    HG   SER   9           HG       SER   9   0.752  -4.968  -2.800
   65    H    ARG  10           HN       ARG  10  -1.362  -6.402  -1.388
   66    HA   ARG  10           HA       ARG  10  -2.205  -4.803   0.984
   67   1HB   ARG  10           HB2      ARG  10  -2.978  -7.695   0.497
   68   2HB   ARG  10           HB1      ARG  10  -3.458  -6.691   1.866
   69   1HG   ARG  10           HG2      ARG  10  -4.626  -5.153   0.308
   70   2HG   ARG  10           HG1      ARG  10  -4.190  -6.207  -1.038
   71   1HD   ARG  10           HD2      ARG  10  -5.647  -7.312   1.355
   72   2HD   ARG  10           HD1      ARG  10  -6.534  -6.510   0.059
   73    HE   ARG  10           HE       ARG  10  -4.939  -8.341  -1.272
   74   1HH1  ARG  10          HH21      ARG  10  -7.203  -8.431   1.336
   75   2HH1  ARG  10          HH22      ARG  10  -7.725 -10.048   0.996
   76   1HH2  ARG  10          HH11      ARG  10  -5.614 -10.446  -1.724
   77   2HH2  ARG  10          HH12      ARG  10  -6.827 -11.187  -0.733
   78    H    LEU  11           HN       LEU  11   0.242  -6.551  -0.428
   79    HA   LEU  11           HA       LEU  11   1.785  -6.621   1.990
   80   1HB   LEU  11           HB2      LEU  11   0.218  -9.022   1.319
   81   2HB   LEU  11           HB1      LEU  11   1.927  -9.327   1.636
   82    HG   LEU  11           HG       LEU  11   0.917  -7.423   3.543
   83   1HD1  LEU  11          HD11      LEU  11  -0.975  -9.434   2.765
   84   2HD1  LEU  11          HD12      LEU  11  -1.130  -8.209   4.024
   85   3HD1  LEU  11          HD13      LEU  11  -0.420  -9.777   4.404
   86   1HD2  LEU  11          HD21      LEU  11   2.344  -8.600   4.843
   87   2HD2  LEU  11          HD22      LEU  11   2.729  -9.538   3.400
   88   3HD2  LEU  11          HD23      LEU  11   1.496 -10.115   4.524
   89    H    MET  12           HN       MET  12   2.081  -5.796  -0.788
   90    HA   MET  12           HA       MET  12   4.075  -7.686  -1.883
   91   1HB   MET  12           HB2      MET  12   2.588  -5.309  -2.897
   92   2HB   MET  12           HB1      MET  12   4.182  -5.612  -3.589
   93   1HG   MET  12           HG2      MET  12   2.641  -8.070  -3.360
   94   2HG   MET  12           HG1      MET  12   1.793  -6.864  -4.327
   95   1HE   MET  12           HE1      MET  12   3.573  -9.646  -4.313
   96   2HE   MET  12           HE2      MET  12   4.625  -9.742  -5.723
   97   3HE   MET  12           HE3      MET  12   2.883  -9.599  -5.942
   98    H    TYR  13           HN       TYR  13   3.892  -4.832   0.024
   99    HA   TYR  13           HA       TYR  13   5.551  -3.523   1.024
  100   1HB   TYR  13           HB2      TYR  13   7.061  -6.009   0.262
  101   2HB   TYR  13           HB1      TYR  13   7.914  -4.628   0.952
  102    HD1  TYR  13           HD1      TYR  13   8.094  -4.501   3.267
  103    HD2  TYR  13           HD2      TYR  13   4.797  -6.635   1.529
  104    HE1  TYR  13           HE1      TYR  13   7.321  -5.149   5.532
  105    HE2  TYR  13           HE2      TYR  13   4.023  -7.285   3.793
  106    HH   TYR  13           HH       TYR  13   5.651  -6.072   6.709
  107    H    ASP  14           HN       ASP  14   4.888  -2.427  -1.272
  108    HA   ASP  14           HA       ASP  14   7.406  -2.018  -2.825
  109   1HB   ASP  14           HB2      ASP  14   4.703  -0.995  -3.666
  110   2HB   ASP  14           HB1      ASP  14   6.090  -1.415  -4.668
  111    H    CYS  15           HN       CYS  15   5.423  -0.637  -0.465
  112    HA   CYS  15           HA       CYS  15   5.519   2.136  -1.064
  113   1HB   CYS  15           HB2      CYS  15   5.654   0.744   1.622
  114   2HB   CYS  15           HB1      CYS  15   5.284   2.453   1.376
  115    H    CYS  16           HN       CYS  16   7.131   3.477  -1.225
  116    HA   CYS  16           HA       CYS  16   9.860   2.770  -0.997
  117   1HB   CYS  16           HB2      CYS  16   8.604   4.793  -2.132
  118   2HB   CYS  16           HB1      CYS  16   8.942   5.591  -0.602
  119    H    THR  17           HN       THR  17   7.629   4.140   1.383
  120    HA   THR  17           HA       THR  17   9.687   3.626   3.454
  121    HB   THR  17           HB       THR  17   9.967   5.983   2.956
  122    HG1  THR  17           HG1      THR  17   8.827   6.723   5.085
  123   1HG2  THR  17          HG21      THR  17   7.667   6.214   1.933
  124   2HG2  THR  17          HG22      THR  17   8.140   7.547   2.986
  125   3HG2  THR  17          HG23      THR  17   7.023   6.314   3.570
  126    H    GLY  18           HN       GLY  18   6.350   3.875   2.569
  127   1HA   GLY  18           HA2      GLY  18   5.525   3.278   5.365
  128   2HA   GLY  18           HA1      GLY  18   4.437   3.791   4.075
  129    H    SER  19           HN       SER  19   3.035   2.009   4.323
  130    HA   SER  19           HA       SER  19   4.093  -0.528   3.180
  131   1HB   SER  19           HB2      SER  19   3.032  -1.881   4.861
  132   2HB   SER  19           HB1      SER  19   3.988  -0.674   5.717
  133    HG   SER  19           HG       SER  19   1.448  -1.144   6.004
  134    H    CYS  20           HN       CYS  20   1.863  -2.027   3.042
  135    HA   CYS  20           HA       CYS  20   0.111  -0.380   1.317
  136   1HB   CYS  20           HB2      CYS  20   0.689  -3.289   1.627
  137   2HB   CYS  20           HB1      CYS  20  -0.926  -2.850   1.075
  138    H    ARG  21           HN       ARG  21  -1.220   0.760   2.755
  139    HA   ARG  21           HA       ARG  21  -3.066  -0.950   4.364
  140   1HB   ARG  21           HB2      ARG  21  -1.190   0.929   5.368
  141   2HB   ARG  21           HB1      ARG  21  -2.787   1.650   5.556
  142   1HG   ARG  21           HG2      ARG  21  -3.007  -1.096   6.271
  143   2HG   ARG  21           HG1      ARG  21  -1.592  -0.446   7.102
  144   1HD   ARG  21           HD2      ARG  21  -3.594   1.542   7.292
  145   2HD   ARG  21           HD1      ARG  21  -4.384   0.010   7.669
  146    HE   ARG  21           HE       ARG  21  -2.033  -0.070   9.139
  147   1HH1  ARG  21          HH21      ARG  21  -4.697   2.095   8.773
  148   2HH1  ARG  21          HH22      ARG  21  -4.591   2.701  10.391
  149   1HH2  ARG  21          HH11      ARG  21  -1.889   0.709  11.250
  150   2HH2  ARG  21          HH12      ARG  21  -3.005   1.916  11.793
  151    H    SER  22           HN       SER  22  -5.221  -0.276   4.326
  152    HA   SER  22           HA       SER  22  -7.118   0.861   3.546
  153   1HB   SER  22           HB2      SER  22  -5.197   2.866   4.161
  154   2HB   SER  22           HB1      SER  22  -5.939   3.312   2.628
  155    HG   SER  22           HG       SER  22  -6.948   3.703   4.956
  156    H    GLY  23           HN       GLY  23  -5.294  -0.683   1.745
  157   1HA   GLY  23           HA2      GLY  23  -5.311  -1.232  -0.539
  158   2HA   GLY  23           HA1      GLY  23  -6.578  -0.027  -0.760
  159    H    LYS  24           HN       LYS  24  -3.855   1.253   0.799
  160    HA   LYS  24           HA       LYS  24  -2.596   2.079  -1.753
  161   1HB   LYS  24           HB2      LYS  24  -3.283   4.085   0.409
  162   2HB   LYS  24           HB1      LYS  24  -2.643   4.416  -1.201
  163   1HG   LYS  24           HG2      LYS  24  -4.692   3.692  -2.245
  164   2HG   LYS  24           HG1      LYS  24  -5.315   3.097  -0.707
  165   1HD   LYS  24           HD2      LYS  24  -4.539   5.990  -1.028
  166   2HD   LYS  24           HD1      LYS  24  -6.127   5.424  -1.542
  167   1HE   LYS  24           HE2      LYS  24  -5.482   4.389   1.087
  168   2HE   LYS  24           HE1      LYS  24  -5.366   6.149   1.064
  169   1HZ   LYS  24           HZ1      LYS  24  -7.602   5.857  -0.282
  170   2HZ   LYS  24           HZ2      LYS  24  -7.577   5.937   1.416
  171   3HZ   LYS  24           HZ3      LYS  24  -7.686   4.431   0.634
  172   1H    CYS  25           H1       CYS  25   2.369   2.787   2.401
  173    H    CYS  25           HN       CYS  25  -0.553   3.400  -1.193
  174    HA   CYS  25           HA       CYS  25   1.047   1.748   0.578
  175   1HB   CYS  25           HB2      CYS  25   1.513   3.833  -1.391
  176   2HB   CYS  25           HB1      CYS  25   2.517   4.063   0.037
  Start of MODEL   21
    1   2H    CYS   1           HT2      CYS   1  10.798   1.482  -6.261
    2   3H    CYS   1           HT3      CYS   1  11.902   1.672  -4.985
    3    HA   CYS   1           HA       CYS   1   9.505   0.880  -4.488
    4   1HB   CYS   1           HB2      CYS   1   9.626   2.461  -2.377
    5   2HB   CYS   1           HB1      CYS   1  10.831   1.199  -2.606
    6    H    LYS   2           HN       LYS   2   7.452   1.837  -3.743
    7    HA   LYS   2           HA       LYS   2   6.693   4.123  -5.470
    8   1HB   LYS   2           HB2      LYS   2   5.187   1.953  -4.030
    9   2HB   LYS   2           HB1      LYS   2   4.346   3.423  -4.528
   10   1HG   LYS   2           HG2      LYS   2   6.065   1.863  -6.458
   11   2HG   LYS   2           HG1      LYS   2   4.366   1.458  -6.200
   12   1HD   LYS   2           HD2      LYS   2   3.656   3.242  -7.392
   13   2HD   LYS   2           HD1      LYS   2   4.788   4.327  -6.582
   14   1HE   LYS   2           HE2      LYS   2   6.612   3.241  -8.029
   15   2HE   LYS   2           HE1      LYS   2   5.291   2.567  -8.984
   16   1HZ   LYS   2           HZ1      LYS   2   6.359   4.945  -9.457
   17   2HZ   LYS   2           HZ2      LYS   2   5.129   5.407  -8.380
   18   3HZ   LYS   2           HZ3      LYS   2   4.742   4.575  -9.810
   19    H    GLY   3           HN       GLY   3   4.649   5.302  -4.169
   20   1HA   GLY   3           HA2      GLY   3   5.641   6.039  -1.461
   21   2HA   GLY   3           HA1      GLY   3   5.394   7.318  -2.651
   22    H    LYS   4           HN       LYS   4   3.945   7.098  -0.160
   23    HA   LYS   4           HA       LYS   4   1.471   5.887  -0.172
   24   1HB   LYS   4           HB2      LYS   4   2.609   7.869   1.318
   25   2HB   LYS   4           HB1      LYS   4   1.307   8.745   0.523
   26   1HG   LYS   4           HG2      LYS   4   0.218   6.273   1.294
   27   2HG   LYS   4           HG1      LYS   4   1.150   6.831   2.677
   28   1HD   LYS   4           HD2      LYS   4   0.007   9.108   2.308
   29   2HD   LYS   4           HD1      LYS   4  -1.122   8.232   1.273
   30   1HE   LYS   4           HE2      LYS   4  -2.067   7.091   3.032
   31   2HE   LYS   4           HE1      LYS   4  -0.566   7.064   3.956
   32   1HZ   LYS   4           HZ1      LYS   4  -2.703   8.815   4.238
   33   2HZ   LYS   4           HZ2      LYS   4  -1.409   9.727   3.617
   34   3HZ   LYS   4           HZ3      LYS   4  -1.218   8.850   5.059
   35    H    GLY   5           HN       GLY   5  -0.595   6.458  -0.958
   36   1HA   GLY   5           HA2      GLY   5  -2.119   7.657  -2.383
   37   2HA   GLY   5           HA1      GLY   5  -0.748   8.552  -3.050
   38    H    ALA   6           HN       ALA   6   0.851   6.095  -3.392
   39    HA   ALA   6           HA       ALA   6  -0.143   5.348  -6.020
   40   1HB   ALA   6           HB1      ALA   6   2.304   5.572  -5.459
   41   2HB   ALA   6           HB2      ALA   6   1.884   4.024  -6.191
   42   3HB   ALA   6           HB3      ALA   6   2.149   4.132  -4.451
   43    H    LYS   7           HN       LYS   7  -2.206   4.518  -5.136
   44    HA   LYS   7           HA       LYS   7  -2.814   2.549  -3.417
   45   1HB   LYS   7           HB2      LYS   7  -4.575   1.815  -4.882
   46   2HB   LYS   7           HB1      LYS   7  -4.340   3.540  -5.170
   47   1HG   LYS   7           HG2      LYS   7  -2.523   2.217  -6.874
   48   2HG   LYS   7           HG1      LYS   7  -4.043   1.347  -7.015
   49   1HD   LYS   7           HD2      LYS   7  -4.992   3.867  -7.093
   50   2HD   LYS   7           HD1      LYS   7  -3.392   4.137  -7.789
   51   1HE   LYS   7           HE2      LYS   7  -4.737   1.748  -8.845
   52   2HE   LYS   7           HE1      LYS   7  -5.595   3.249  -9.193
   53   1HZ   LYS   7           HZ1      LYS   7  -3.471   4.164 -10.015
   54   2HZ   LYS   7           HZ2      LYS   7  -4.023   2.841 -10.926
   55   3HZ   LYS   7           HZ3      LYS   7  -2.757   2.640  -9.810
   56    H    CYS   8           HN       CYS   8  -2.823   0.189  -3.418
   57    HA   CYS   8           HA       CYS   8  -1.037  -1.114  -5.395
   58   1HB   CYS   8           HB2      CYS   8   0.238  -2.211  -3.551
   59   2HB   CYS   8           HB1      CYS   8   0.449  -0.464  -3.560
   60    H    SER   9           HN       SER   9  -0.910  -3.604  -4.006
   61    HA   SER   9           HA       SER   9  -3.709  -4.481  -4.377
   62   1HB   SER   9           HB2      SER   9  -1.121  -5.650  -4.819
   63   2HB   SER   9           HB1      SER   9  -2.048  -6.680  -3.733
   64    HG   SER   9           HG       SER   9  -2.770  -5.727  -6.306
   65    H    ARG  10           HN       ARG  10  -1.368  -5.913  -2.203
   66    HA   ARG  10           HA       ARG  10  -2.497  -4.918   0.234
   67   1HB   ARG  10           HB2      ARG  10  -4.424  -6.305  -0.642
   68   2HB   ARG  10           HB1      ARG  10  -3.389  -7.725  -0.487
   69   1HG   ARG  10           HG2      ARG  10  -3.232  -6.245   1.954
   70   2HG   ARG  10           HG1      ARG  10  -4.937  -6.447   1.545
   71   1HD   ARG  10           HD2      ARG  10  -3.774  -8.923   0.967
   72   2HD   ARG  10           HD1      ARG  10  -3.019  -8.430   2.480
   73    HE   ARG  10           HE       ARG  10  -5.642  -9.453   2.242
   74   1HH1  ARG  10          HH21      ARG  10  -4.039  -6.712   3.634
   75   2HH1  ARG  10          HH22      ARG  10  -5.357  -6.332   4.685
   76   1HH2  ARG  10          HH11      ARG  10  -7.331  -8.971   3.634
   77   2HH2  ARG  10          HH12      ARG  10  -7.205  -7.611   4.699
   78    H    LEU  11           HN       LEU  11  -0.521  -4.921   1.198
   79    HA   LEU  11           HA       LEU  11   1.338  -5.806   2.322
   80   1HB   LEU  11           HB2      LEU  11  -0.529  -7.980   2.167
   81   2HB   LEU  11           HB1      LEU  11   1.098  -8.601   1.884
   82    HG   LEU  11           HG       LEU  11   1.514  -6.838   3.954
   83   1HD1  LEU  11          HD11      LEU  11  -1.256  -8.004   4.139
   84   2HD1  LEU  11          HD12      LEU  11  -0.716  -6.367   4.512
   85   3HD1  LEU  11          HD13      LEU  11  -0.320  -7.694   5.603
   86   1HD2  LEU  11          HD21      LEU  11   1.567  -8.931   5.364
   87   2HD2  LEU  11          HD22      LEU  11   2.467  -9.055   3.852
   88   3HD2  LEU  11          HD23      LEU  11   0.875  -9.800   3.994
   89    H    MET  12           HN       MET  12   1.635  -4.992  -0.344
   90    HA   MET  12           HA       MET  12   3.179  -7.114  -1.712
   91   1HB   MET  12           HB2      MET  12   2.513  -4.257  -2.483
   92   2HB   MET  12           HB1      MET  12   3.474  -5.350  -3.481
   93   1HG   MET  12           HG2      MET  12   0.896  -6.450  -2.527
   94   2HG   MET  12           HG1      MET  12   0.768  -5.122  -3.680
   95   1HE   MET  12           HE1      MET  12   2.334  -5.916  -6.712
   96   2HE   MET  12           HE2      MET  12   3.759  -6.058  -5.684
   97   3HE   MET  12           HE3      MET  12   2.534  -4.846  -5.319
   98    H    TYR  13           HN       TYR  13   3.680  -4.534   0.473
   99    HA   TYR  13           HA       TYR  13   5.628  -3.566   1.342
  100   1HB   TYR  13           HB2      TYR  13   6.838  -6.111   0.216
  101   2HB   TYR  13           HB1      TYR  13   7.619  -5.038   1.378
  102    HD1  TYR  13           HD1      TYR  13   5.493  -7.865   0.985
  103    HD2  TYR  13           HD2      TYR  13   6.272  -4.515   3.558
  104    HE1  TYR  13           HE1      TYR  13   4.323  -9.019   2.841
  105    HE2  TYR  13           HE2      TYR  13   5.102  -5.668   5.415
  106    HH   TYR  13           HH       TYR  13   3.605  -7.391   5.858
  107    H    ASP  14           HN       ASP  14   5.050  -2.226  -0.836
  108    HA   ASP  14           HA       ASP  14   7.596  -2.114  -2.403
  109   1HB   ASP  14           HB2      ASP  14   4.742  -1.695  -3.317
  110   2HB   ASP  14           HB1      ASP  14   6.132  -1.151  -4.253
  111    H    CYS  15           HN       CYS  15   5.016  -0.356  -0.772
  112    HA   CYS  15           HA       CYS  15   5.560   2.286  -1.544
  113   1HB   CYS  15           HB2      CYS  15   5.067   1.527   1.338
  114   2HB   CYS  15           HB1      CYS  15   4.581   2.999   0.495
  115    H    CYS  16           HN       CYS  16   7.279   3.483  -1.463
  116    HA   CYS  16           HA       CYS  16   9.772   2.601  -0.363
  117   1HB   CYS  16           HB2      CYS  16   9.157   4.313  -2.278
  118   2HB   CYS  16           HB1      CYS  16   9.215   5.478  -0.960
  119    H    THR  17           HN       THR  17   7.074   4.163   1.073
  120    HA   THR  17           HA       THR  17   8.793   4.957   3.391
  121    HB   THR  17           HB       THR  17   7.785   6.932   2.396
  122    HG1  THR  17           HG1      THR  17   6.455   7.547   4.199
  123   1HG2  THR  17          HG21      THR  17   5.533   5.113   2.070
  124   2HG2  THR  17          HG22      THR  17   5.880   6.626   1.232
  125   3HG2  THR  17          HG23      THR  17   5.039   6.649   2.782
  126    H    GLY  18           HN       GLY  18   7.558   2.321   2.874
  127   1HA   GLY  18           HA2      GLY  18   6.859   1.281   5.201
  128   2HA   GLY  18           HA1      GLY  18   5.409   2.245   4.924
  129    H    SER  19           HN       SER  19   4.080   0.364   4.770
  130    HA   SER  19           HA       SER  19   4.485  -1.175   2.237
  131   1HB   SER  19           HB2      SER  19   3.211  -3.027   3.486
  132   2HB   SER  19           HB1      SER  19   4.879  -2.744   3.979
  133    HG   SER  19           HG       SER  19   3.196  -2.875   5.682
  134    H    CYS  20           HN       CYS  20   2.236  -2.257   1.653
  135    HA   CYS  20           HA       CYS  20   0.436  -0.326   0.826
  136   1HB   CYS  20           HB2      CYS  20   0.045  -3.216   1.576
  137   2HB   CYS  20           HB1      CYS  20  -1.331  -2.236   1.072
  138    H    ARG  21           HN       ARG  21  -1.448   0.616   1.700
  139    HA   ARG  21           HA       ARG  21  -1.838   0.239   4.641
  140   1HB   ARG  21           HB2      ARG  21  -0.869   2.403   4.388
  141   2HB   ARG  21           HB1      ARG  21  -1.892   2.767   3.001
  142   1HG   ARG  21           HG2      ARG  21  -3.718   3.262   4.296
  143   2HG   ARG  21           HG1      ARG  21  -3.295   2.073   5.526
  144   1HD   ARG  21           HD2      ARG  21  -1.519   3.539   6.370
  145   2HD   ARG  21           HD1      ARG  21  -1.873   4.720   5.108
  146    HE   ARG  21           HE       ARG  21  -4.298   4.399   6.413
  147   1HH1  ARG  21          HH21      ARG  21  -1.048   5.143   7.317
  148   2HH1  ARG  21          HH22      ARG  21  -1.510   6.111   8.675
  149   1HH2  ARG  21          HH11      ARG  21  -4.913   5.665   8.182
  150   2HH2  ARG  21          HH12      ARG  21  -3.695   6.408   9.164
  151    H    SER  22           HN       SER  22  -3.606  -1.030   4.581
  152    HA   SER  22           HA       SER  22  -5.857  -1.642   4.303
  153   1HB   SER  22           HB2      SER  22  -7.359   0.067   4.611
  154   2HB   SER  22           HB1      SER  22  -5.890   0.957   5.002
  155    HG   SER  22           HG       SER  22  -7.578   1.167   2.848
  156    H    GLY  23           HN       GLY  23  -3.874  -1.139   1.863
  157   1HA   GLY  23           HA2      GLY  23  -4.677  -2.415  -0.215
  158   2HA   GLY  23           HA1      GLY  23  -6.010  -1.263  -0.230
  159    H    LYS  24           HN       LYS  24  -4.454   1.069   0.478
  160    HA   LYS  24           HA       LYS  24  -3.043   1.413  -2.113
  161   1HB   LYS  24           HB2      LYS  24  -3.968   3.563  -0.197
  162   2HB   LYS  24           HB1      LYS  24  -3.416   3.788  -1.857
  163   1HG   LYS  24           HG2      LYS  24  -5.678   3.761  -2.248
  164   2HG   LYS  24           HG1      LYS  24  -5.375   2.026  -2.329
  165   1HD   LYS  24           HD2      LYS  24  -6.968   1.860  -0.721
  166   2HD   LYS  24           HD1      LYS  24  -5.711   2.432   0.376
  167   1HE   LYS  24           HE2      LYS  24  -6.470   4.673   0.260
  168   2HE   LYS  24           HE1      LYS  24  -7.443   4.355  -1.176
  169   1HZ   LYS  24           HZ1      LYS  24  -8.503   2.617   0.531
  170   2HZ   LYS  24           HZ2      LYS  24  -9.084   4.200   0.336
  171   3HZ   LYS  24           HZ3      LYS  24  -8.035   3.831   1.620
  172   1H    CYS  25           H1       CYS  25   2.046   3.344   1.428
  173    H    CYS  25           HN       CYS  25  -1.033   2.810  -2.072
  174    HA   CYS  25           HA       CYS  25   0.777   1.817  -0.060
  175   1HB   CYS  25           HB2      CYS  25   0.965   3.509  -2.428
  176   2HB   CYS  25           HB1      CYS  25   1.986   4.100  -1.123
  Start of MODEL   22
    1   2H    CYS   1           HT2      CYS   1  10.764   3.010  -6.087
    2   3H    CYS   1           HT3      CYS   1  10.384   1.479  -6.717
    3    HA   CYS   1           HA       CYS   1   9.184   0.841  -4.895
    4   1HB   CYS   1           HB2      CYS   1   9.475   2.321  -2.734
    5   2HB   CYS   1           HB1      CYS   1  10.644   1.056  -3.101
    6    H    LYS   2           HN       LYS   2   7.407   2.136  -3.547
    7    HA   LYS   2           HA       LYS   2   6.541   4.416  -5.278
    8   1HB   LYS   2           HB2      LYS   2   4.831   2.450  -3.729
    9   2HB   LYS   2           HB1      LYS   2   4.245   3.722  -4.796
   10   1HG   LYS   2           HG2      LYS   2   5.985   1.382  -5.625
   11   2HG   LYS   2           HG1      LYS   2   4.264   1.557  -5.963
   12   1HD   LYS   2           HD2      LYS   2   4.737   2.754  -7.805
   13   2HD   LYS   2           HD1      LYS   2   5.579   3.947  -6.816
   14   1HE   LYS   2           HE2      LYS   2   7.466   3.293  -7.878
   15   2HE   LYS   2           HE1      LYS   2   7.363   1.817  -6.919
   16   1HZ   LYS   2           HZ1      LYS   2   7.457   1.075  -9.104
   17   2HZ   LYS   2           HZ2      LYS   2   6.422   2.294  -9.678
   18   3HZ   LYS   2           HZ3      LYS   2   5.798   1.017  -8.748
   19    H    GLY   3           HN       GLY   3   4.458   5.377  -3.765
   20   1HA   GLY   3           HA2      GLY   3   5.593   5.974  -1.074
   21   2HA   GLY   3           HA1      GLY   3   5.156   7.315  -2.137
   22    H    LYS   4           HN       LYS   4   3.861   6.908   0.391
   23    HA   LYS   4           HA       LYS   4   1.466   5.428   0.186
   24   1HB   LYS   4           HB2      LYS   4   0.985   6.302   2.227
   25   2HB   LYS   4           HB1      LYS   4   2.651   6.824   2.159
   26   1HG   LYS   4           HG2      LYS   4   1.885   8.988   1.171
   27   2HG   LYS   4           HG1      LYS   4   0.226   8.461   1.416
   28   1HD   LYS   4           HD2      LYS   4   1.196   9.938   3.261
   29   2HD   LYS   4           HD1      LYS   4   0.482   8.416   3.792
   30   1HE   LYS   4           HE2      LYS   4   3.364   8.325   3.085
   31   2HE   LYS   4           HE1      LYS   4   2.951   9.220   4.546
   32   1HZ   LYS   4           HZ1      LYS   4   1.580   6.701   4.284
   33   2HZ   LYS   4           HZ2      LYS   4   2.395   7.362   5.621
   34   3HZ   LYS   4           HZ3      LYS   4   3.265   6.547   4.410
   35    H    GLY   5           HN       GLY   5  -0.660   6.134  -0.282
   36   1HA   GLY   5           HA2      GLY   5  -2.271   7.681  -1.217
   37   2HA   GLY   5           HA1      GLY   5  -0.928   8.675  -1.799
   38    H    ALA   6           HN       ALA   6   0.604   6.459  -2.813
   39    HA   ALA   6           HA       ALA   6  -0.688   6.166  -5.404
   40   1HB   ALA   6           HB1      ALA   6   1.688   6.411  -5.471
   41   2HB   ALA   6           HB2      ALA   6   1.379   4.718  -5.858
   42   3HB   ALA   6           HB3      ALA   6   1.919   5.168  -4.241
   43    H    LYS   7           HN       LYS   7  -2.576   5.019  -4.698
   44    HA   LYS   7           HA       LYS   7  -3.086   2.837  -3.265
   45   1HB   LYS   7           HB2      LYS   7  -4.695   2.090  -4.904
   46   2HB   LYS   7           HB1      LYS   7  -4.628   3.854  -4.966
   47   1HG   LYS   7           HG2      LYS   7  -2.604   2.932  -6.699
   48   2HG   LYS   7           HG1      LYS   7  -4.024   1.955  -7.041
   49   1HD   LYS   7           HD2      LYS   7  -5.130   3.692  -7.980
   50   2HD   LYS   7           HD1      LYS   7  -4.674   4.782  -6.669
   51   1HE   LYS   7           HE2      LYS   7  -2.486   3.981  -8.508
   52   2HE   LYS   7           HE1      LYS   7  -3.725   5.031  -9.196
   53   1HZ   LYS   7           HZ1      LYS   7  -1.740   6.100  -8.013
   54   2HZ   LYS   7           HZ2      LYS   7  -2.515   5.636  -6.573
   55   3HZ   LYS   7           HZ3      LYS   7  -3.291   6.688  -7.658
   56    H    CYS   8           HN       CYS   8  -2.879   0.514  -3.451
   57    HA   CYS   8           HA       CYS   8  -1.127  -0.589  -5.534
   58   1HB   CYS   8           HB2      CYS   8   0.554  -1.418  -3.895
   59   2HB   CYS   8           HB1      CYS   8   0.502   0.342  -3.945
   60    H    SER   9           HN       SER   9  -0.443  -2.941  -3.983
   61    HA   SER   9           HA       SER   9  -3.100  -4.243  -3.998
   62   1HB   SER   9           HB2      SER   9  -0.838  -5.089  -5.108
   63   2HB   SER   9           HB1      SER   9  -0.548  -5.731  -3.493
   64    HG   SER   9           HG       SER   9  -1.848  -7.274  -4.053
   65    H    ARG  10           HN       ARG  10  -1.678  -6.335  -2.135
   66    HA   ARG  10           HA       ARG  10  -1.991  -4.835   0.415
   67   1HB   ARG  10           HB2      ARG  10  -3.428  -7.323  -0.483
   68   2HB   ARG  10           HB1      ARG  10  -3.120  -7.049   1.232
   69   1HG   ARG  10           HG2      ARG  10  -4.073  -4.591   0.312
   70   2HG   ARG  10           HG1      ARG  10  -5.081  -5.782  -0.510
   71   1HD   ARG  10           HD2      ARG  10  -6.035  -5.149   1.688
   72   2HD   ARG  10           HD1      ARG  10  -5.598  -6.857   1.637
   73    HE   ARG  10           HE       ARG  10  -3.339  -5.629   2.666
   74   1HH1  ARG  10          HH21      ARG  10  -6.714  -5.665   3.397
   75   2HH1  ARG  10          HH22      ARG  10  -6.481  -5.424   5.094
   76   1HH2  ARG  10          HH11      ARG  10  -3.022  -5.313   4.880
   77   2HH2  ARG  10          HH12      ARG  10  -4.394  -5.224   5.934
   78    H    LEU  11           HN       LEU  11  -0.041  -5.029   1.360
   79    HA   LEU  11           HA       LEU  11   1.900  -5.999   2.243
   80   1HB   LEU  11           HB2      LEU  11   0.184  -8.453   1.831
   81   2HB   LEU  11           HB1      LEU  11   1.822  -8.560   2.472
   82    HG   LEU  11           HG       LEU  11   0.783  -6.537   3.996
   83   1HD1  LEU  11          HD11      LEU  11  -1.451  -7.148   4.684
   84   2HD1  LEU  11          HD12      LEU  11  -1.423  -8.589   3.669
   85   3HD1  LEU  11          HD13      LEU  11  -1.459  -6.990   2.928
   86   1HD2  LEU  11          HD21      LEU  11   1.186  -9.472   4.311
   87   2HD2  LEU  11          HD22      LEU  11   0.242  -8.668   5.566
   88   3HD2  LEU  11          HD23      LEU  11   1.887  -8.136   5.225
   89    H    MET  12           HN       MET  12   2.570  -5.134  -0.036
   90    HA   MET  12           HA       MET  12   3.632  -7.428  -1.638
   91   1HB   MET  12           HB2      MET  12   2.113  -5.158  -2.444
   92   2HB   MET  12           HB1      MET  12   3.743  -4.951  -3.085
   93   1HG   MET  12           HG2      MET  12   1.947  -7.366  -3.455
   94   2HG   MET  12           HG1      MET  12   2.431  -6.212  -4.698
   95   1HE   MET  12           HE1      MET  12   4.248  -7.501  -6.499
   96   2HE   MET  12           HE2      MET  12   2.740  -8.199  -5.913
   97   3HE   MET  12           HE3      MET  12   4.196  -9.190  -5.972
   98    H    TYR  13           HN       TYR  13   4.387  -4.693   0.286
   99    HA   TYR  13           HA       TYR  13   6.457  -3.835   0.980
  100   1HB   TYR  13           HB2      TYR  13   7.638  -6.137  -0.599
  101   2HB   TYR  13           HB1      TYR  13   8.435  -5.207   0.669
  102    HD1  TYR  13           HD1      TYR  13   7.384  -8.311   0.253
  103    HD2  TYR  13           HD2      TYR  13   6.341  -4.937   2.697
  104    HE1  TYR  13           HE1      TYR  13   6.450  -9.841   1.965
  105    HE2  TYR  13           HE2      TYR  13   5.407  -6.465   4.409
  106    HH   TYR  13           HH       TYR  13   4.459  -8.804   4.463
  107    H    ASP  14           HN       ASP  14   5.262  -2.686  -1.290
  108    HA   ASP  14           HA       ASP  14   7.610  -2.197  -3.077
  109   1HB   ASP  14           HB2      ASP  14   4.634  -1.991  -3.538
  110   2HB   ASP  14           HB1      ASP  14   5.788  -1.178  -4.595
  111    H    CYS  15           HN       CYS  15   5.128  -0.666  -1.075
  112    HA   CYS  15           HA       CYS  15   5.568   2.040  -1.745
  113   1HB   CYS  15           HB2      CYS  15   5.168   1.049   1.088
  114   2HB   CYS  15           HB1      CYS  15   4.700   2.610   0.410
  115    H    CYS  16           HN       CYS  16   7.276   3.242  -1.672
  116    HA   CYS  16           HA       CYS  16   9.817   2.354  -0.709
  117   1HB   CYS  16           HB2      CYS  16   9.056   4.174  -2.492
  118   2HB   CYS  16           HB1      CYS  16   9.229   5.250  -1.112
  119    H    THR  17           HN       THR  17   7.187   4.092   0.776
  120    HA   THR  17           HA       THR  17   8.785   4.221   3.287
  121    HB   THR  17           HB       THR  17   7.091   6.458   3.358
  122    HG1  THR  17           HG1      THR  17   8.201   7.441   1.365
  123   1HG2  THR  17          HG21      THR  17   9.575   7.467   2.752
  124   2HG2  THR  17          HG22      THR  17   9.967   5.841   3.314
  125   3HG2  THR  17          HG23      THR  17   9.066   6.942   4.357
  126    H    GLY  18           HN       GLY  18   7.503   2.321   3.855
  127   1HA   GLY  18           HA2      GLY  18   5.684   2.083   5.602
  128   2HA   GLY  18           HA1      GLY  18   4.656   2.994   4.494
  129    H    SER  19           HN       SER  19   3.171   1.179   4.430
  130    HA   SER  19           HA       SER  19   3.997  -0.838   2.428
  131   1HB   SER  19           HB2      SER  19   4.458  -2.038   4.461
  132   2HB   SER  19           HB1      SER  19   2.949  -1.496   5.192
  133    HG   SER  19           HG       SER  19   1.828  -2.729   3.682
  134    H    CYS  20           HN       CYS  20   2.114  -1.904   1.447
  135    HA   CYS  20           HA       CYS  20   0.027  -0.236   0.698
  136   1HB   CYS  20           HB2      CYS  20   0.198  -3.233   0.950
  137   2HB   CYS  20           HB1      CYS  20  -1.297  -2.465   0.414
  138    H    ARG  21           HN       ARG  21  -1.092   0.931   2.255
  139    HA   ARG  21           HA       ARG  21  -2.359  -0.629   4.472
  140   1HB   ARG  21           HB2      ARG  21  -0.889   1.107   5.324
  141   2HB   ARG  21           HB1      ARG  21  -1.644   2.312   4.280
  142   1HG   ARG  21           HG2      ARG  21  -3.800   1.957   5.451
  143   2HG   ARG  21           HG1      ARG  21  -3.014   0.796   6.520
  144   1HD   ARG  21           HD2      ARG  21  -3.034   2.882   7.697
  145   2HD   ARG  21           HD1      ARG  21  -1.379   2.645   7.134
  146    HE   ARG  21           HE       ARG  21  -2.561   4.105   5.100
  147   1HH1  ARG  21          HH21      ARG  21  -2.232   4.406   8.525
  148   2HH1  ARG  21          HH22      ARG  21  -2.232   6.137   8.502
  149   1HH2  ARG  21          HH11      ARG  21  -2.561   6.363   5.059
  150   2HH2  ARG  21          HH12      ARG  21  -2.419   7.244   6.544
  151    H    SER  22           HN       SER  22  -4.580  -0.623   4.606
  152    HA   SER  22           HA       SER  22  -6.804  -0.256   3.952
  153   1HB   SER  22           HB2      SER  22  -5.787   2.203   4.444
  154   2HB   SER  22           HB1      SER  22  -6.171   2.381   2.735
  155    HG   SER  22           HG       SER  22  -7.957   2.918   4.029
  156    H    GLY  23           HN       GLY  23  -4.485  -1.006   1.960
  157   1HA   GLY  23           HA2      GLY  23  -4.953  -2.068  -0.179
  158   2HA   GLY  23           HA1      GLY  23  -6.257  -0.910  -0.432
  159    H    LYS  24           HN       LYS  24  -4.389   1.285   0.580
  160    HA   LYS  24           HA       LYS  24  -2.986   1.620  -2.020
  161   1HB   LYS  24           HB2      LYS  24  -3.422   3.822  -0.016
  162   2HB   LYS  24           HB1      LYS  24  -3.177   3.952  -1.758
  163   1HG   LYS  24           HG2      LYS  24  -5.358   3.184  -2.239
  164   2HG   LYS  24           HG1      LYS  24  -5.571   2.533  -0.616
  165   1HD   LYS  24           HD2      LYS  24  -4.959   5.383  -0.578
  166   2HD   LYS  24           HD1      LYS  24  -6.429   5.033  -1.490
  167   1HE   LYS  24           HE2      LYS  24  -7.574   4.415   0.369
  168   2HE   LYS  24           HE1      LYS  24  -6.200   3.529   1.030
  169   1HZ   LYS  24           HZ1      LYS  24  -5.660   6.304   1.007
  170   2HZ   LYS  24           HZ2      LYS  24  -5.705   5.235   2.326
  171   3HZ   LYS  24           HZ3      LYS  24  -7.124   6.013   1.815
  172   1H    CYS  25           H1       CYS  25   2.339   2.937   1.588
  173    H    CYS  25           HN       CYS  25  -0.953   3.147  -1.706
  174    HA   CYS  25           HA       CYS  25   0.866   1.637  -0.022
  175   1HB   CYS  25           HB2      CYS  25   1.075   3.735  -2.052
  176   2HB   CYS  25           HB1      CYS  25   2.202   3.973  -0.720
  Start of MODEL   23
    1   2H    CYS   1           HT2      CYS   1  11.089   3.148  -5.311
    2   3H    CYS   1           HT3      CYS   1  10.779   1.665  -6.080
    3    HA   CYS   1           HA       CYS   1   9.450   0.882  -4.354
    4   1HB   CYS   1           HB2      CYS   1   9.309   2.473  -2.251
    5   2HB   CYS   1           HB1      CYS   1  10.615   1.300  -2.382
    6    H    LYS   2           HN       LYS   2   7.391   2.025  -3.372
    7    HA   LYS   2           HA       LYS   2   6.567   4.096  -5.356
    8   1HB   LYS   2           HB2      LYS   2   5.063   1.989  -3.816
    9   2HB   LYS   2           HB1      LYS   2   4.218   3.378  -4.502
   10   1HG   LYS   2           HG2      LYS   2   6.105   2.058  -6.348
   11   2HG   LYS   2           HG1      LYS   2   4.730   1.066  -5.867
   12   1HD   LYS   2           HD2      LYS   2   3.721   3.667  -6.384
   13   2HD   LYS   2           HD1      LYS   2   4.787   3.253  -7.727
   14   1HE   LYS   2           HE2      LYS   2   3.109   1.005  -6.911
   15   2HE   LYS   2           HE1      LYS   2   2.158   2.400  -7.421
   16   1HZ   LYS   2           HZ1      LYS   2   2.595   1.211  -9.368
   17   2HZ   LYS   2           HZ2      LYS   2   4.217   0.921  -8.949
   18   3HZ   LYS   2           HZ3      LYS   2   3.716   2.482  -9.399
   19    H    GLY   3           HN       GLY   3   4.748   5.569  -4.384
   20   1HA   GLY   3           HA2      GLY   3   5.587   6.386  -1.625
   21   2HA   GLY   3           HA1      GLY   3   5.239   7.565  -2.891
   22    H    LYS   4           HN       LYS   4   3.863   7.372  -0.333
   23    HA   LYS   4           HA       LYS   4   1.469   6.040  -0.205
   24   1HB   LYS   4           HB2      LYS   4   2.522   8.300   1.019
   25   2HB   LYS   4           HB1      LYS   4   1.010   8.863   0.319
   26   1HG   LYS   4           HG2      LYS   4   0.206   6.498   1.321
   27   2HG   LYS   4           HG1      LYS   4   1.476   6.880   2.471
   28   1HD   LYS   4           HD2      LYS   4  -0.839   8.695   1.735
   29   2HD   LYS   4           HD1      LYS   4  -0.685   7.785   3.240
   30   1HE   LYS   4           HE2      LYS   4   1.223   9.059   3.921
   31   2HE   LYS   4           HE1      LYS   4   1.391   9.789   2.324
   32   1HZ   LYS   4           HZ1      LYS   4   0.340  11.299   3.898
   33   2HZ   LYS   4           HZ2      LYS   4  -0.909  10.177   4.163
   34   3HZ   LYS   4           HZ3      LYS   4  -0.722  10.898   2.636
   35    H    GLY   5           HN       GLY   5  -0.628   6.394  -0.987
   36   1HA   GLY   5           HA2      GLY   5  -2.268   7.412  -2.435
   37   2HA   GLY   5           HA1      GLY   5  -0.971   8.332  -3.208
   38    H    ALA   6           HN       ALA   6   0.776   5.990  -3.443
   39    HA   ALA   6           HA       ALA   6  -0.192   5.003  -5.982
   40   1HB   ALA   6           HB1      ALA   6   2.281   5.271  -5.022
   41   2HB   ALA   6           HB2      ALA   6   1.898   4.026  -6.210
   42   3HB   ALA   6           HB3      ALA   6   2.003   3.608  -4.500
   43    H    LYS   7           HN       LYS   7  -2.260   4.212  -5.063
   44    HA   LYS   7           HA       LYS   7  -2.909   2.371  -3.237
   45   1HB   LYS   7           HB2      LYS   7  -4.581   1.461  -4.717
   46   2HB   LYS   7           HB1      LYS   7  -4.388   3.169  -5.114
   47   1HG   LYS   7           HG2      LYS   7  -2.451   1.788  -6.630
   48   2HG   LYS   7           HG1      LYS   7  -3.944   0.871  -6.787
   49   1HD   LYS   7           HD2      LYS   7  -5.123   3.051  -7.307
   50   2HD   LYS   7           HD1      LYS   7  -3.530   3.804  -7.397
   51   1HE   LYS   7           HE2      LYS   7  -3.249   1.533  -8.967
   52   2HE   LYS   7           HE1      LYS   7  -4.882   2.083  -9.339
   53   1HZ   LYS   7           HZ1      LYS   7  -4.120   4.121 -10.081
   54   2HZ   LYS   7           HZ2      LYS   7  -2.925   3.059 -10.654
   55   3HZ   LYS   7           HZ3      LYS   7  -2.638   3.993  -9.265
   56    H    CYS   8           HN       CYS   8  -2.853   0.037  -3.005
   57    HA   CYS   8           HA       CYS   8  -1.047  -1.441  -4.824
   58   1HB   CYS   8           HB2      CYS   8   0.339  -2.233  -2.918
   59   2HB   CYS   8           HB1      CYS   8   0.459  -0.488  -3.135
   60    H    SER   9           HN       SER   9  -0.762  -3.758  -3.396
   61    HA   SER   9           HA       SER   9  -3.550  -4.734  -3.295
   62   1HB   SER   9           HB2      SER   9  -0.924  -5.894  -3.889
   63   2HB   SER   9           HB1      SER   9  -1.932  -6.919  -2.874
   64    HG   SER   9           HG       SER   9  -2.222  -6.173  -5.511
   65    H    ARG  10           HN       ARG  10  -0.947  -6.156  -1.480
   66    HA   ARG  10           HA       ARG  10  -2.051  -5.165   1.079
   67   1HB   ARG  10           HB2      ARG  10  -2.953  -7.567   0.041
   68   2HB   ARG  10           HB1      ARG  10  -1.647  -8.073   1.113
   69   1HG   ARG  10           HG2      ARG  10  -3.438  -8.009   2.589
   70   2HG   ARG  10           HG1      ARG  10  -2.777  -6.388   2.798
   71   1HD   ARG  10           HD2      ARG  10  -4.415  -5.847   0.775
   72   2HD   ARG  10           HD1      ARG  10  -5.277  -7.254   1.389
   73    HE   ARG  10           HE       ARG  10  -5.345  -4.636   2.517
   74   1HH1  ARG  10          HH21      ARG  10  -4.934  -7.924   3.496
   75   2HH1  ARG  10          HH22      ARG  10  -5.262  -7.596   5.161
   76   1HH2  ARG  10          HH11      ARG  10  -5.796  -4.213   4.674
   77   2HH2  ARG  10          HH12      ARG  10  -5.758  -5.507   5.826
   78    H    LEU  11           HN       LEU  11   0.017  -7.963   0.261
   79    HA   LEU  11           HA       LEU  11   2.184  -6.659   1.855
   80   1HB   LEU  11           HB2      LEU  11   1.467  -9.541   1.326
   81   2HB   LEU  11           HB1      LEU  11   3.082  -9.092   1.873
   82    HG   LEU  11           HG       LEU  11   1.453  -9.688   3.723
   83   1HD1  LEU  11          HD11      LEU  11   2.554  -8.261   5.132
   84   2HD1  LEU  11          HD12      LEU  11   2.158  -6.839   4.167
   85   3HD1  LEU  11          HD13      LEU  11   3.484  -7.896   3.678
   86   1HD2  LEU  11          HD21      LEU  11   0.273  -6.962   3.199
   87   2HD2  LEU  11          HD22      LEU  11  -0.348  -8.248   4.234
   88   3HD2  LEU  11          HD23      LEU  11  -0.432  -8.409   2.481
   89    H    MET  12           HN       MET  12   1.668  -6.071  -0.975
   90    HA   MET  12           HA       MET  12   3.493  -7.525  -2.652
   91   1HB   MET  12           HB2      MET  12   1.892  -5.054  -2.834
   92   2HB   MET  12           HB1      MET  12   3.379  -5.026  -3.784
   93   1HG   MET  12           HG2      MET  12   2.109  -7.595  -4.072
   94   2HG   MET  12           HG1      MET  12   0.946  -6.320  -4.439
   95   1HE   MET  12           HE1      MET  12   3.828  -8.333  -6.676
   96   2HE   MET  12           HE2      MET  12   2.246  -8.112  -7.418
   97   3HE   MET  12           HE3      MET  12   2.359  -8.636  -5.740
   98    H    TYR  13           HN       TYR  13   3.941  -5.094  -0.237
   99    HA   TYR  13           HA       TYR  13   5.866  -4.003   0.533
  100   1HB   TYR  13           HB2      TYR  13   6.889  -6.516  -0.738
  101   2HB   TYR  13           HB1      TYR  13   8.055  -5.289  -0.238
  102    HD1  TYR  13           HD1      TYR  13   7.002  -4.135   2.159
  103    HD2  TYR  13           HD2      TYR  13   6.819  -8.222   0.852
  104    HE1  TYR  13           HE1      TYR  13   6.772  -4.877   4.513
  105    HE2  TYR  13           HE2      TYR  13   6.590  -8.964   3.206
  106    HH   TYR  13           HH       TYR  13   6.761  -6.640   5.892
  107    H    ASP  14           HN       ASP  14   5.017  -2.419  -1.260
  108    HA   ASP  14           HA       ASP  14   7.283  -1.958  -3.155
  109   1HB   ASP  14           HB2      ASP  14   5.401  -0.821  -4.579
  110   2HB   ASP  14           HB1      ASP  14   5.577  -2.575  -4.633
  111    H    CYS  15           HN       CYS  15   4.806  -0.575  -1.056
  112    HA   CYS  15           HA       CYS  15   5.265   2.183  -1.579
  113   1HB   CYS  15           HB2      CYS  15   4.761   1.121   1.201
  114   2HB   CYS  15           HB1      CYS  15   4.211   2.635   0.483
  115    H    CYS  16           HN       CYS  16   6.948   3.412  -1.276
  116    HA   CYS  16           HA       CYS  16   9.438   2.414  -0.278
  117   1HB   CYS  16           HB2      CYS  16   8.796   4.401  -1.908
  118   2HB   CYS  16           HB1      CYS  16   8.847   5.336  -0.422
  119    H    THR  17           HN       THR  17   6.830   4.307   1.176
  120    HA   THR  17           HA       THR  17   8.346   4.264   3.757
  121    HB   THR  17           HB       THR  17   6.511   6.097   4.300
  122    HG1  THR  17           HG1      THR  17   5.370   6.513   2.604
  123   1HG2  THR  17          HG21      THR  17   8.105   7.779   3.763
  124   2HG2  THR  17          HG22      THR  17   8.759   6.835   2.424
  125   3HG2  THR  17          HG23      THR  17   9.050   6.325   4.086
  126    H    GLY  18           HN       GLY  18   7.452   3.077   5.389
  127   1HA   GLY  18           HA2      GLY  18   5.927   1.697   6.517
  128   2HA   GLY  18           HA1      GLY  18   4.669   2.755   5.870
  129    H    SER  19           HN       SER  19   3.497   0.598   5.745
  130    HA   SER  19           HA       SER  19   4.208  -0.782   3.186
  131   1HB   SER  19           HB2      SER  19   4.152  -2.738   4.304
  132   2HB   SER  19           HB1      SER  19   3.851  -1.863   5.802
  133    HG   SER  19           HG       SER  19   2.199  -3.398   5.245
  134    H    CYS  20           HN       CYS  20   2.047  -2.024   2.430
  135    HA   CYS  20           HA       CYS  20   0.258  -0.189   1.390
  136   1HB   CYS  20           HB2      CYS  20  -0.074  -3.069   2.195
  137   2HB   CYS  20           HB1      CYS  20  -1.462  -2.165   1.589
  138    H    ARG  21           HN       ARG  21  -1.316   1.107   2.239
  139    HA   ARG  21           HA       ARG  21  -2.328   0.465   4.979
  140   1HB   ARG  21           HB2      ARG  21  -0.763   2.326   5.168
  141   2HB   ARG  21           HB1      ARG  21  -1.583   3.184   3.861
  142   1HG   ARG  21           HG2      ARG  21  -2.949   4.108   5.391
  143   2HG   ARG  21           HG1      ARG  21  -3.591   2.500   5.728
  144   1HD   ARG  21           HD2      ARG  21  -1.166   2.519   7.080
  145   2HD   ARG  21           HD1      ARG  21  -1.788   4.148   7.332
  146    HE   ARG  21           HE       ARG  21  -3.966   2.502   7.844
  147   1HH1  ARG  21          HH21      ARG  21  -0.702   2.773   8.944
  148   2HH1  ARG  21          HH22      ARG  21  -1.049   2.155  10.524
  149   1HH2  ARG  21          HH11      ARG  21  -4.426   1.696   9.899
  150   2HH2  ARG  21          HH12      ARG  21  -3.153   1.546  11.065
  151    H    SER  22           HN       SER  22  -4.505   0.216   4.949
  152    HA   SER  22           HA       SER  22  -6.748   0.439   4.282
  153   1HB   SER  22           HB2      SER  22  -5.802   2.976   4.385
  154   2HB   SER  22           HB1      SER  22  -6.205   2.875   2.672
  155    HG   SER  22           HG       SER  22  -8.292   2.101   3.358
  156    H    GLY  23           HN       GLY  23  -4.594  -0.789   2.532
  157   1HA   GLY  23           HA2      GLY  23  -4.912  -2.067   0.532
  158   2HA   GLY  23           HA1      GLY  23  -6.285  -1.037   0.123
  159    H    LYS  24           HN       LYS  24  -4.448   1.344   0.836
  160    HA   LYS  24           HA       LYS  24  -3.100   1.387  -1.818
  161   1HB   LYS  24           HB2      LYS  24  -3.507   3.918  -0.308
  162   2HB   LYS  24           HB1      LYS  24  -3.621   3.620  -2.042
  163   1HG   LYS  24           HG2      LYS  24  -5.793   2.676  -1.843
  164   2HG   LYS  24           HG1      LYS  24  -5.635   2.509  -0.098
  165   1HD   LYS  24           HD2      LYS  24  -5.754   4.881   0.234
  166   2HD   LYS  24           HD1      LYS  24  -5.606   5.189  -1.497
  167   1HE   LYS  24           HE2      LYS  24  -7.939   3.932  -0.036
  168   2HE   LYS  24           HE1      LYS  24  -7.932   5.429  -0.972
  169   1HZ   LYS  24           HZ1      LYS  24  -8.815   3.922  -2.448
  170   2HZ   LYS  24           HZ2      LYS  24  -7.827   2.644  -1.923
  171   3HZ   LYS  24           HZ3      LYS  24  -7.176   3.889  -2.879
  172   1H    CYS  25           H1       CYS  25   2.045   3.450   1.616
  173    H    CYS  25           HN       CYS  25  -1.124   2.941  -1.792
  174    HA   CYS  25           HA       CYS  25   0.711   1.901   0.204
  175   1HB   CYS  25           HB2      CYS  25   0.905   3.681  -2.166
  176   2HB   CYS  25           HB1      CYS  25   2.117   3.934  -0.912
  Start of MODEL   24
    1   2H    CYS   1           HT2      CYS   1  11.918   2.330  -5.214
    2   3H    CYS   1           HT3      CYS   1  10.995   3.640  -5.771
    3    HA   CYS   1           HA       CYS   1   9.566   1.245  -4.892
    4   1HB   CYS   1           HB2      CYS   1   9.613   2.496  -2.556
    5   2HB   CYS   1           HB1      CYS   1  10.872   1.337  -2.976
    6    H    LYS   2           HN       LYS   2   7.446   1.915  -4.088
    7    HA   LYS   2           HA       LYS   2   6.509   4.362  -5.444
    8   1HB   LYS   2           HB2      LYS   2   5.014   2.190  -3.949
    9   2HB   LYS   2           HB1      LYS   2   4.253   3.517  -4.826
   10   1HG   LYS   2           HG2      LYS   2   6.199   1.605  -6.130
   11   2HG   LYS   2           HG1      LYS   2   4.459   1.326  -6.110
   12   1HD   LYS   2           HD2      LYS   2   4.047   2.967  -7.637
   13   2HD   LYS   2           HD1      LYS   2   5.280   4.034  -6.967
   14   1HE   LYS   2           HE2      LYS   2   7.000   2.416  -7.967
   15   2HE   LYS   2           HE1      LYS   2   5.657   1.722  -8.876
   16   1HZ   LYS   2           HZ1      LYS   2   6.599   3.364 -10.243
   17   2HZ   LYS   2           HZ2      LYS   2   6.686   4.498  -8.981
   18   3HZ   LYS   2           HZ3      LYS   2   5.179   4.056  -9.627
   19    H    GLY   3           HN       GLY   3   4.596   5.458  -4.029
   20   1HA   GLY   3           HA2      GLY   3   5.606   5.865  -1.251
   21   2HA   GLY   3           HA1      GLY   3   5.307   7.264  -2.285
   22    H    LYS   4           HN       LYS   4   3.852   7.123   0.059
   23    HA   LYS   4           HA       LYS   4   1.475   5.718   0.133
   24   1HB   LYS   4           HB2      LYS   4   2.450   8.252   1.176
   25   2HB   LYS   4           HB1      LYS   4   0.718   8.257   0.909
   26   1HG   LYS   4           HG2      LYS   4   0.438   6.273   2.238
   27   2HG   LYS   4           HG1      LYS   4   2.175   6.058   2.369
   28   1HD   LYS   4           HD2      LYS   4   1.522   7.059   4.431
   29   2HD   LYS   4           HD1      LYS   4   2.222   8.372   3.482
   30   1HE   LYS   4           HE2      LYS   4   0.248   9.375   4.166
   31   2HE   LYS   4           HE1      LYS   4  -0.281   8.651   2.646
   32   1HZ   LYS   4           HZ1      LYS   4  -1.844   8.097   4.340
   33   2HZ   LYS   4           HZ2      LYS   4  -0.620   7.526   5.371
   34   3HZ   LYS   4           HZ3      LYS   4  -0.990   6.688   3.941
   35    H    GLY   5           HN       GLY   5  -0.570   6.055  -0.693
   36   1HA   GLY   5           HA2      GLY   5  -2.213   7.119  -2.116
   37   2HA   GLY   5           HA1      GLY   5  -0.920   8.101  -2.820
   38    H    ALA   6           HN       ALA   6   0.894   5.860  -3.154
   39    HA   ALA   6           HA       ALA   6   0.010   4.936  -5.742
   40   1HB   ALA   6           HB1      ALA   6   2.230   3.646  -4.168
   41   2HB   ALA   6           HB2      ALA   6   2.445   5.265  -4.832
   42   3HB   ALA   6           HB3      ALA   6   2.119   3.907  -5.910
   43    H    LYS   7           HN       LYS   7  -2.056   4.071  -4.879
   44    HA   LYS   7           HA       LYS   7  -2.671   2.159  -3.117
   45   1HB   LYS   7           HB2      LYS   7  -4.339   1.291  -4.610
   46   2HB   LYS   7           HB1      LYS   7  -4.141   3.003  -4.998
   47   1HG   LYS   7           HG2      LYS   7  -2.200   1.728  -6.536
   48   2HG   LYS   7           HG1      LYS   7  -3.601   0.674  -6.647
   49   1HD   LYS   7           HD2      LYS   7  -3.880   3.649  -7.010
   50   2HD   LYS   7           HD1      LYS   7  -3.430   2.605  -8.359
   51   1HE   LYS   7           HE2      LYS   7  -5.461   1.253  -7.997
   52   2HE   LYS   7           HE1      LYS   7  -5.914   2.295  -6.648
   53   1HZ   LYS   7           HZ1      LYS   7  -5.321   3.765  -9.030
   54   2HZ   LYS   7           HZ2      LYS   7  -6.687   3.841  -8.022
   55   3HZ   LYS   7           HZ3      LYS   7  -6.599   2.672  -9.252
   56    H    CYS   8           HN       CYS   8  -2.542  -0.145  -2.927
   57    HA   CYS   8           HA       CYS   8  -0.849  -1.631  -4.813
   58   1HB   CYS   8           HB2      CYS   8   0.744  -2.303  -2.981
   59   2HB   CYS   8           HB1      CYS   8   0.860  -0.602  -3.427
   60    H    SER   9           HN       SER   9  -0.311  -3.835  -3.173
   61    HA   SER   9           HA       SER   9  -3.058  -4.874  -2.783
   62   1HB   SER   9           HB2      SER   9  -2.192  -6.823  -3.522
   63   2HB   SER   9           HB1      SER   9  -0.692  -5.963  -3.836
   64    HG   SER   9           HG       SER   9  -0.237  -7.649  -2.463
   65    H    ARG  10           HN       ARG  10  -2.547  -6.862  -0.868
   66    HA   ARG  10           HA       ARG  10  -2.581  -5.257   1.561
   67   1HB   ARG  10           HB2      ARG  10  -3.929  -7.389   1.173
   68   2HB   ARG  10           HB1      ARG  10  -2.419  -8.276   1.390
   69   1HG   ARG  10           HG2      ARG  10  -2.520  -8.042   3.630
   70   2HG   ARG  10           HG1      ARG  10  -2.767  -6.306   3.490
   71   1HD   ARG  10           HD2      ARG  10  -5.037  -6.475   3.632
   72   2HD   ARG  10           HD1      ARG  10  -5.092  -7.997   2.749
   73    HE   ARG  10           HE       ARG  10  -5.196  -7.722   5.579
   74   1HH1  ARG  10          HH21      ARG  10  -3.513  -9.550   3.173
   75   2HH1  ARG  10          HH22      ARG  10  -3.005 -10.772   4.287
   76   1HH2  ARG  10          HH11      ARG  10  -4.549  -9.314   7.021
   77   2HH2  ARG  10          HH12      ARG  10  -3.591 -10.643   6.457
   78    H    LEU  11           HN       LEU  11  -0.206  -7.107  -0.197
   79    HA   LEU  11           HA       LEU  11   1.884  -6.119   1.608
   80   1HB   LEU  11           HB2      LEU  11   0.953  -8.931   1.633
   81   2HB   LEU  11           HB1      LEU  11   2.701  -8.709   1.552
   82    HG   LEU  11           HG       LEU  11   1.638  -6.840   3.444
   83   1HD1  LEU  11          HD11      LEU  11   1.068  -9.611   4.391
   84   2HD1  LEU  11          HD12      LEU  11  -0.135  -8.839   3.358
   85   3HD1  LEU  11          HD13      LEU  11   0.336  -8.084   4.882
   86   1HD2  LEU  11          HD21      LEU  11   3.492  -7.514   4.574
   87   2HD2  LEU  11          HD22      LEU  11   3.863  -8.428   3.113
   88   3HD2  LEU  11          HD23      LEU  11   3.047  -9.218   4.461
   89    H    MET  12           HN       MET  12   2.658  -5.069  -0.287
   90    HA   MET  12           HA       MET  12   3.685  -6.906  -2.416
   91   1HB   MET  12           HB2      MET  12   2.148  -4.491  -2.577
   92   2HB   MET  12           HB1      MET  12   3.735  -4.191  -3.288
   93   1HG   MET  12           HG2      MET  12   2.064  -6.616  -3.975
   94   2HG   MET  12           HG1      MET  12   1.982  -5.109  -4.887
   95   1HE   MET  12           HE1      MET  12   4.228  -5.395  -7.438
   96   2HE   MET  12           HE2      MET  12   4.655  -4.149  -6.267
   97   3HE   MET  12           HE3      MET  12   2.964  -4.568  -6.518
   98    H    TYR  13           HN       TYR  13   4.531  -4.740   0.085
   99    HA   TYR  13           HA       TYR  13   6.593  -3.871   0.778
  100   1HB   TYR  13           HB2      TYR  13   7.988  -5.829  -1.019
  101   2HB   TYR  13           HB1      TYR  13   8.397  -5.337   0.624
  102    HD1  TYR  13           HD1      TYR  13   6.273  -7.506  -1.448
  103    HD2  TYR  13           HD2      TYR  13   7.245  -6.297   2.556
  104    HE1  TYR  13           HE1      TYR  13   5.047  -9.466  -0.559
  105    HE2  TYR  13           HE2      TYR  13   6.018  -8.259   3.448
  106    HH   TYR  13           HH       TYR  13   4.803 -10.045   2.954
  107    H    ASP  14           HN       ASP  14   5.326  -2.801  -1.683
  108    HA   ASP  14           HA       ASP  14   7.735  -2.024  -3.255
  109   1HB   ASP  14           HB2      ASP  14   5.902  -0.947  -4.748
  110   2HB   ASP  14           HB1      ASP  14   6.046  -2.705  -4.750
  111    H    CYS  15           HN       CYS  15   5.201  -0.739  -1.168
  112    HA   CYS  15           HA       CYS  15   5.543   2.029  -1.673
  113   1HB   CYS  15           HB2      CYS  15   5.179   0.949   1.122
  114   2HB   CYS  15           HB1      CYS  15   4.553   2.444   0.425
  115    H    CYS  16           HN       CYS  16   7.218   3.279  -1.476
  116    HA   CYS  16           HA       CYS  16   9.761   2.377  -0.515
  117   1HB   CYS  16           HB2      CYS  16   9.054   4.290  -2.193
  118   2HB   CYS  16           HB1      CYS  16   9.068   5.279  -0.739
  119    H    THR  17           HN       THR  17   7.105   4.150   0.957
  120    HA   THR  17           HA       THR  17   8.593   4.060   3.548
  121    HB   THR  17           HB       THR  17   7.152   6.223   4.016
  122    HG1  THR  17           HG1      THR  17   6.207   6.955   2.309
  123   1HG2  THR  17          HG21      THR  17   9.498   6.539   2.149
  124   2HG2  THR  17          HG22      THR  17   9.707   5.912   3.785
  125   3HG2  THR  17          HG23      THR  17   9.057   7.534   3.536
  126    H    GLY  18           HN       GLY  18   7.437   3.016   5.106
  127   1HA   GLY  18           HA2      GLY  18   5.544   2.289   6.329
  128   2HA   GLY  18           HA1      GLY  18   4.521   3.194   5.213
  129    H    SER  19           HN       SER  19   3.075   1.394   4.977
  130    HA   SER  19           HA       SER  19   4.119  -0.671   3.107
  131   1HB   SER  19           HB2      SER  19   2.141  -1.742   4.978
  132   2HB   SER  19           HB1      SER  19   3.684  -2.422   4.469
  133    HG   SER  19           HG       SER  19   4.119  -1.919   6.502
  134    H    CYS  20           HN       CYS  20   1.643  -2.122   3.061
  135    HA   CYS  20           HA       CYS  20   0.080  -0.276   1.381
  136   1HB   CYS  20           HB2      CYS  20   0.008  -3.234   1.953
  137   2HB   CYS  20           HB1      CYS  20  -1.334  -2.445   1.121
  138    H    ARG  21           HN       ARG  21  -1.022   1.138   2.833
  139    HA   ARG  21           HA       ARG  21  -2.598  -0.094   5.025
  140   1HB   ARG  21           HB2      ARG  21  -1.218   2.011   5.377
  141   2HB   ARG  21           HB1      ARG  21  -2.375   2.847   4.342
  142   1HG   ARG  21           HG2      ARG  21  -4.193   1.919   5.904
  143   2HG   ARG  21           HG1      ARG  21  -2.880   1.526   7.012
  144   1HD   ARG  21           HD2      ARG  21  -3.529   3.666   7.722
  145   2HD   ARG  21           HD1      ARG  21  -2.161   4.009   6.660
  146    HE   ARG  21           HE       ARG  21  -4.332   4.130   4.960
  147   1HH1  ARG  21          HH21      ARG  21  -3.484   5.535   8.000
  148   2HH1  ARG  21          HH22      ARG  21  -4.366   6.998   7.714
  149   1HH2  ARG  21          HH11      ARG  21  -5.488   6.031   4.580
  150   2HH2  ARG  21          HH12      ARG  21  -5.500   7.278   5.783
  151    H    SER  22           HN       SER  22  -4.837  -0.160   5.014
  152    HA   SER  22           HA       SER  22  -6.981  -0.211   4.058
  153   1HB   SER  22           HB2      SER  22  -6.152   2.372   2.723
  154   2HB   SER  22           HB1      SER  22  -7.774   1.871   3.190
  155    HG   SER  22           HG       SER  22  -7.381   2.716   5.062
  156    H    GLY  23           HN       GLY  23  -4.517  -1.178   2.483
  157   1HA   GLY  23           HA2      GLY  23  -4.525  -2.470   0.467
  158   2HA   GLY  23           HA1      GLY  23  -6.002  -1.642  -0.026
  159    H    LYS  24           HN       LYS  24  -3.997   0.737   1.061
  160    HA   LYS  24           HA       LYS  24  -2.897   1.159  -1.679
  161   1HB   LYS  24           HB2      LYS  24  -4.288   2.985   0.215
  162   2HB   LYS  24           HB1      LYS  24  -2.977   3.668  -0.749
  163   1HG   LYS  24           HG2      LYS  24  -4.442   2.103  -2.551
  164   2HG   LYS  24           HG1      LYS  24  -5.655   2.922  -1.572
  165   1HD   LYS  24           HD2      LYS  24  -3.319   4.337  -2.875
  166   2HD   LYS  24           HD1      LYS  24  -4.930   4.238  -3.589
  167   1HE   LYS  24           HE2      LYS  24  -4.433   5.331  -0.809
  168   2HE   LYS  24           HE1      LYS  24  -4.462   6.352  -2.247
  169   1HZ   LYS  24           HZ1      LYS  24  -6.648   6.447  -1.864
  170   2HZ   LYS  24           HZ2      LYS  24  -6.637   5.092  -0.839
  171   3HZ   LYS  24           HZ3      LYS  24  -6.706   4.886  -2.524
  172   1H    CYS  25           H1       CYS  25   2.377   3.048   1.618
  173    H    CYS  25           HN       CYS  25  -0.898   2.573  -1.695
  174    HA   CYS  25           HA       CYS  25   1.014   1.520   0.208
  175   1HB   CYS  25           HB2      CYS  25   1.081   3.330  -2.130
  176   2HB   CYS  25           HB1      CYS  25   2.307   3.655  -0.908
  Start of MODEL   25
    1   2H    CYS   1           HT2      CYS   1  10.199   3.127  -6.232
    2   3H    CYS   1           HT3      CYS   1   9.489   1.775  -6.976
    3    HA   CYS   1           HA       CYS   1   8.620   0.965  -4.960
    4   1HB   CYS   1           HB2      CYS   1   9.148   2.405  -2.862
    5   2HB   CYS   1           HB1      CYS   1  10.363   1.253  -3.407
    6    H    LYS   2           HN       LYS   2   6.632   1.755  -4.173
    7    HA   LYS   2           HA       LYS   2   5.658   4.167  -5.509
    8   1HB   LYS   2           HB2      LYS   2   4.463   1.931  -3.919
    9   2HB   LYS   2           HB1      LYS   2   3.555   3.437  -4.058
   10   1HG   LYS   2           HG2      LYS   2   2.966   1.848  -5.863
   11   2HG   LYS   2           HG1      LYS   2   3.693   3.320  -6.501
   12   1HD   LYS   2           HD2      LYS   2   5.919   2.096  -6.480
   13   2HD   LYS   2           HD1      LYS   2   5.009   0.622  -6.149
   14   1HE   LYS   2           HE2      LYS   2   4.340   2.419  -8.482
   15   2HE   LYS   2           HE1      LYS   2   5.531   1.125  -8.615
   16   1HZ   LYS   2           HZ1      LYS   2   3.148   0.576  -9.227
   17   2HZ   LYS   2           HZ2      LYS   2   2.813   0.635  -7.562
   18   3HZ   LYS   2           HZ3      LYS   2   3.932  -0.491  -8.167
   19    H    GLY   3           HN       GLY   3   4.467   5.841  -4.247
   20   1HA   GLY   3           HA2      GLY   3   5.913   6.442  -1.714
   21   2HA   GLY   3           HA1      GLY   3   5.095   7.637  -2.723
   22    H    LYS   4           HN       LYS   4   4.584   7.358   0.079
   23    HA   LYS   4           HA       LYS   4   2.444   5.738   0.817
   24   1HB   LYS   4           HB2      LYS   4   3.788   7.855   1.957
   25   2HB   LYS   4           HB1      LYS   4   2.139   8.456   1.835
   26   1HG   LYS   4           HG2      LYS   4   1.728   5.898   2.677
   27   2HG   LYS   4           HG1      LYS   4   3.233   6.281   3.495
   28   1HD   LYS   4           HD2      LYS   4   1.587   7.020   5.014
   29   2HD   LYS   4           HD1      LYS   4   2.062   8.494   4.171
   30   1HE   LYS   4           HE2      LYS   4   0.145   8.083   2.569
   31   2HE   LYS   4           HE1      LYS   4  -0.384   6.788   3.644
   32   1HZ   LYS   4           HZ1      LYS   4   0.185   9.295   4.962
   33   2HZ   LYS   4           HZ2      LYS   4  -1.130   8.235   5.156
   34   3HZ   LYS   4           HZ3      LYS   4  -1.120   9.358   3.880
   35    H    GLY   5           HN       GLY   5   0.250   5.930   0.754
   36   1HA   GLY   5           HA2      GLY   5  -1.871   6.592  -0.018
   37   2HA   GLY   5           HA1      GLY   5  -1.168   8.152  -0.422
   38    H    ALA   6           HN       ALA   6   0.835   6.251  -2.095
   39    HA   ALA   6           HA       ALA   6  -0.617   6.695  -4.578
   40   1HB   ALA   6           HB1      ALA   6   1.944   6.862  -4.133
   41   2HB   ALA   6           HB2      ALA   6   1.390   6.193  -5.669
   42   3HB   ALA   6           HB3      ALA   6   1.929   5.115  -4.381
   43    H    LYS   7           HN       LYS   7  -1.937   4.747  -2.857
   44    HA   LYS   7           HA       LYS   7  -2.849   2.613  -2.946
   45   1HB   LYS   7           HB2      LYS   7  -2.950   3.763  -5.495
   46   2HB   LYS   7           HB1      LYS   7  -2.424   2.093  -5.743
   47   1HG   LYS   7           HG2      LYS   7  -4.415   2.037  -3.732
   48   2HG   LYS   7           HG1      LYS   7  -5.025   3.057  -5.025
   49   1HD   LYS   7           HD2      LYS   7  -3.700   0.674  -6.060
   50   2HD   LYS   7           HD1      LYS   7  -5.044   0.269  -4.992
   51   1HE   LYS   7           HE2      LYS   7  -6.495   1.827  -6.301
   52   2HE   LYS   7           HE1      LYS   7  -5.154   2.081  -7.419
   53   1HZ   LYS   7           HZ1      LYS   7  -6.712   0.362  -8.177
   54   2HZ   LYS   7           HZ2      LYS   7  -6.359  -0.561  -6.793
   55   3HZ   LYS   7           HZ3      LYS   7  -5.146  -0.247  -7.942
   56    H    CYS   8           HN       CYS   8  -2.419   0.331  -3.379
   57    HA   CYS   8           HA       CYS   8   0.008  -0.641  -4.486
   58   1HB   CYS   8           HB2      CYS   8   1.355  -1.040  -2.522
   59   2HB   CYS   8           HB1      CYS   8   0.978   0.678  -2.577
   60    H    SER   9           HN       SER   9   0.540  -2.829  -2.896
   61    HA   SER   9           HA       SER   9  -2.008  -4.320  -3.134
   62   1HB   SER   9           HB2      SER   9   0.538  -4.964  -3.880
   63   2HB   SER   9           HB1      SER   9   0.452  -5.750  -2.308
   64    HG   SER   9           HG       SER   9  -1.487  -6.753  -3.037
   65    H    ARG  10           HN       ARG  10  -1.454  -6.356  -1.227
   66    HA   ARG  10           HA       ARG  10  -2.096  -4.864   1.251
   67   1HB   ARG  10           HB2      ARG  10  -3.305  -7.015   0.287
   68   2HB   ARG  10           HB1      ARG  10  -1.987  -7.862   1.100
   69   1HG   ARG  10           HG2      ARG  10  -2.586  -6.419   3.160
   70   2HG   ARG  10           HG1      ARG  10  -4.097  -6.080   2.315
   71   1HD   ARG  10           HD2      ARG  10  -3.650  -8.875   2.121
   72   2HD   ARG  10           HD1      ARG  10  -3.364  -8.431   3.804
   73    HE   ARG  10           HE       ARG  10  -5.914  -8.677   2.611
   74   1HH1  ARG  10          HH21      ARG  10  -4.126  -6.369   4.479
   75   2HH1  ARG  10          HH22      ARG  10  -5.535  -5.489   4.956
   76   1HH2  ARG  10          HH11      ARG  10  -7.740  -7.542   3.254
   77   2HH2  ARG  10          HH12      ARG  10  -7.573  -6.152   4.273
   78    H    LEU  11           HN       LEU  11   0.378  -6.949  -0.113
   79    HA   LEU  11           HA       LEU  11   2.226  -6.118   2.017
   80   1HB   LEU  11           HB2      LEU  11   1.211  -8.926   1.691
   81   2HB   LEU  11           HB1      LEU  11   2.881  -8.670   2.204
   82    HG   LEU  11           HG       LEU  11   1.553  -6.893   3.807
   83   1HD1  LEU  11          HD11      LEU  11  -0.508  -7.729   4.522
   84   2HD1  LEU  11          HD12      LEU  11  -0.173  -9.351   3.913
   85   3HD1  LEU  11          HD13      LEU  11  -0.575  -8.052   2.790
   86   1HD2  LEU  11          HD21      LEU  11   2.973  -8.166   5.049
   87   2HD2  LEU  11          HD22      LEU  11   2.693  -9.600   4.061
   88   3HD2  LEU  11          HD23      LEU  11   1.556  -9.175   5.341
   89    H    MET  12           HN       MET  12   1.775  -6.008  -0.991
   90    HA   MET  12           HA       MET  12   3.746  -7.592  -2.318
   91   1HB   MET  12           HB2      MET  12   1.959  -6.344  -3.496
   92   2HB   MET  12           HB1      MET  12   2.730  -4.825  -3.037
   93   1HG   MET  12           HG2      MET  12   3.423  -5.376  -5.291
   94   2HG   MET  12           HG1      MET  12   4.803  -5.599  -4.218
   95   1HE   MET  12           HE1      MET  12   2.603  -8.335  -6.881
   96   2HE   MET  12           HE2      MET  12   2.160  -6.741  -6.281
   97   3HE   MET  12           HE3      MET  12   1.637  -8.180  -5.408
   98    H    TYR  13           HN       TYR  13   4.014  -4.909  -0.200
   99    HA   TYR  13           HA       TYR  13   5.883  -3.759   0.609
  100   1HB   TYR  13           HB2      TYR  13   7.105  -6.183  -0.664
  101   2HB   TYR  13           HB1      TYR  13   8.154  -4.883  -0.100
  102    HD1  TYR  13           HD1      TYR  13   6.888  -3.865   2.273
  103    HD2  TYR  13           HD2      TYR  13   7.159  -7.922   0.892
  104    HE1  TYR  13           HE1      TYR  13   6.640  -4.672   4.602
  105    HE2  TYR  13           HE2      TYR  13   6.912  -8.732   3.221
  106    HH   TYR  13           HH       TYR  13   6.198  -8.064   5.334
  107    H    ASP  14           HN       ASP  14   4.740  -2.605  -1.608
  108    HA   ASP  14           HA       ASP  14   7.009  -1.970  -3.430
  109   1HB   ASP  14           HB2      ASP  14   4.051  -1.854  -3.649
  110   2HB   ASP  14           HB1      ASP  14   4.929  -0.537  -4.428
  111    H    CYS  15           HN       CYS  15   5.139  -0.729  -0.808
  112    HA   CYS  15           HA       CYS  15   5.434   2.070  -1.170
  113   1HB   CYS  15           HB2      CYS  15   5.632   0.590   1.468
  114   2HB   CYS  15           HB1      CYS  15   5.138   2.266   1.218
  115    H    CYS  16           HN       CYS  16   7.138   3.292  -1.268
  116    HA   CYS  16           HA       CYS  16   9.804   2.271  -1.064
  117   1HB   CYS  16           HB2      CYS  16   8.733   4.364  -2.292
  118   2HB   CYS  16           HB1      CYS  16   9.209   5.182  -0.810
  119    H    THR  17           HN       THR  17   7.703   4.027   1.173
  120    HA   THR  17           HA       THR  17   9.449   3.235   3.400
  121    HB   THR  17           HB       THR  17  10.439   5.387   2.656
  122    HG1  THR  17           HG1      THR  17   9.878   4.701   5.000
  123   1HG2  THR  17          HG21      THR  17   7.698   6.070   2.305
  124   2HG2  THR  17          HG22      THR  17   9.114   7.050   1.934
  125   3HG2  THR  17          HG23      THR  17   8.363   7.156   3.525
  126    H    GLY  18           HN       GLY  18   7.587   2.060   4.076
  127   1HA   GLY  18           HA2      GLY  18   5.937   2.982   6.007
  128   2HA   GLY  18           HA1      GLY  18   5.083   3.541   4.567
  129    H    SER  19           HN       SER  19   3.304   2.118   4.916
  130    HA   SER  19           HA       SER  19   3.897  -0.700   4.157
  131   1HB   SER  19           HB2      SER  19   2.483   0.262   6.617
  132   2HB   SER  19           HB1      SER  19   1.925  -1.220   5.847
  133    HG   SER  19           HG       SER  19   3.838  -1.084   7.513
  134    H    CYS  20           HN       CYS  20   1.585  -1.804   3.788
  135    HA   CYS  20           HA       CYS  20   0.164   0.013   1.927
  136   1HB   CYS  20           HB2      CYS  20   0.456  -2.949   2.207
  137   2HB   CYS  20           HB1      CYS  20  -1.020  -2.333   1.460
  138    H    ARG  21           HN       ARG  21  -1.421   1.151   2.982
  139    HA   ARG  21           HA       ARG  21  -3.218  -0.400   4.804
  140   1HB   ARG  21           HB2      ARG  21  -1.774   1.589   5.706
  141   2HB   ARG  21           HB1      ARG  21  -2.978   2.595   4.905
  142   1HG   ARG  21           HG2      ARG  21  -4.667   0.971   6.156
  143   2HG   ARG  21           HG1      ARG  21  -3.294   0.758   7.245
  144   1HD   ARG  21           HD2      ARG  21  -4.058   2.642   8.255
  145   2HD   ARG  21           HD1      ARG  21  -3.315   3.484   6.896
  146    HE   ARG  21           HE       ARG  21  -5.833   2.830   5.958
  147   1HH1  ARG  21          HH21      ARG  21  -4.549   4.413   8.749
  148   2HH1  ARG  21          HH22      ARG  21  -5.916   5.458   8.941
  149   1HH2  ARG  21          HH11      ARG  21  -7.619   4.187   6.202
  150   2HH2  ARG  21          HH12      ARG  21  -7.652   5.331   7.502
  151    H    SER  22           HN       SER  22  -5.379  -0.382   4.311
  152    HA   SER  22           HA       SER  22  -7.288  -0.092   2.969
  153   1HB   SER  22           HB2      SER  22  -6.320   2.475   3.815
  154   2HB   SER  22           HB1      SER  22  -6.973   2.624   2.185
  155    HG   SER  22           HG       SER  22  -8.429   2.747   4.164
  156    H    GLY  23           HN       GLY  23  -4.708  -0.824   1.635
  157   1HA   GLY  23           HA2      GLY  23  -4.209  -1.335  -0.626
  158   2HA   GLY  23           HA1      GLY  23  -5.602  -0.367  -1.117
  159    H    LYS  24           HN       LYS  24  -4.093   1.622   0.928
  160    HA   LYS  24           HA       LYS  24  -2.602   2.966  -1.250
  161   1HB   LYS  24           HB2      LYS  24  -3.566   4.001   1.428
  162   2HB   LYS  24           HB1      LYS  24  -2.758   4.967   0.192
  163   1HG   LYS  24           HG2      LYS  24  -4.604   5.038  -1.155
  164   2HG   LYS  24           HG1      LYS  24  -5.107   3.405  -0.723
  165   1HD   LYS  24           HD2      LYS  24  -5.715   4.357   1.575
  166   2HD   LYS  24           HD1      LYS  24  -5.526   5.953   0.846
  167   1HE   LYS  24           HE2      LYS  24  -7.298   3.826  -0.368
  168   2HE   LYS  24           HE1      LYS  24  -7.895   4.985   0.819
  169   1HZ   LYS  24           HZ1      LYS  24  -8.081   6.488  -0.774
  170   2HZ   LYS  24           HZ2      LYS  24  -7.544   5.358  -1.924
  171   3HZ   LYS  24           HZ3      LYS  24  -6.428   6.366  -1.132
  172   1H    CYS  25           H1       CYS  25   2.835   2.989   2.335
  173   2H    CYS  25           H2       CYS  25   2.225   4.213   3.340
  174    H    CYS  25           HN       CYS  25  -0.417   3.576  -0.959
  175    HA   CYS  25           HA       CYS  25   1.092   1.852   0.820
  176   1HB   CYS  25           HB2      CYS  25   1.663   3.798  -1.300
  177   2HB   CYS  25           HB1      CYS  25   2.846   3.834   0.008