*HEADER   SERINE PROTEASE INHIBITOR               02-OCT-95   1CIR    
*TITLE    COMPLEX OF TWO FRAGMENTS OF CI2 [(1-40)(DOT)(41-64)]        
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CHYMOTRYPSIN INHIBITOR 2;                        
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 DOMAIN: RESIDUES 1 - 40, 41 - 64;                          
*COMPND  5 SYNONYM: CI2;                                              
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 OTHER_DETAILS: CLEAVED BETWEEN RESIDUES 40 AND 41          
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE;                      
*SOURCE  3 ORGANISM_COMMON: BARLEY;                                   
*SOURCE  4 STRAIN: HIPROLY;                                           
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PTZ18U                          
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   B.J.DAVIS,A.R.FERSHT                                        
*REVDAT  1   29-JAN-96 1CIR    0                                      


ASSIGN (RESID 20 AND NAME HG#	)  (RESID 20 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 21 AND NAME HA	)  (RESID 21 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 21 AND NAME HA	)  (RESID 21 AND NAME HD#	)  3.00	1.20	0.30
ASSIGN (RESID 21 AND NAME HA	)  (RESID 21 AND NAME HE#	)  4.00	2.20	1.00
ASSIGN (RESID 21 AND NAME HA	)  (RESID 21 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 21 AND NAME HD#	)  (RESID 21 AND NAME HE#	)  4.00	2.20	1.00
ASSIGN (RESID 21 AND NAME HN	)  (RESID 20 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 21 AND NAME HN	)  (RESID 20 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 21 AND NAME HN	)  (RESID 21 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 22 AND NAME HA	)  (RESID 22 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 22 AND NAME HA	)  (RESID 22 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 22 AND NAME HN	)  (RESID 22 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 23 AND NAME HA	)  (RESID 79 AND NAME hg1*	)  4.00	2.20	1.50
ASSIGN (RESID 23 AND NAME HB#	)  (RESID 22 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 23 AND NAME HB#	)  (RESID 23 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 23 AND NAME HB2	)  (RESID 23 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 23 AND NAME HN	)  (RESID 21 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 23 AND NAME HN	)  (RESID 22 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 23 AND NAME HN	)  (RESID 22 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 23 AND NAME HN	)  (RESID 22 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 23 AND NAME HN	)  (RESID 23 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HA	)  (RESID 23 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HA	)  (RESID 24 AND NAME HD1	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HA	)  (RESID 25 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HA	)  (RESID 27 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HD1	)  (RESID 21 AND NAME HD#	)  3.00	1.20	0.30
ASSIGN (RESID 24 AND NAME HD1	)  (RESID 21 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HD1	)  (RESID 60 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HD1	)  (RESID 27 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 23 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 24 AND NAME hb#	)  3.00	1.20	0.30
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 24 AND NAME hb#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 39 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 39 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 66 AND NAME hg1*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 79 AND NAME hg1*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HE3	)  (RESID 82 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HH2	)  (RESID 22 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HH2	)  (RESID 66 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HH2	)  (RESID 66 AND NAME hg2*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HH2	)  (RESID 43 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HH2	)  (RESID 82 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HN	)  (RESID 24 AND NAME HE3	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HZ2	)  (RESID 21 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HZ2	)  (RESID 24 AND NAME HH2	)  3.00	1.20	0.30
ASSIGN (RESID 24 AND NAME HZ2	)  (RESID 39 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HZ2	)  (RESID 39 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 22 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 23 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 24 AND NAME HE3	)  2.40	0.60	0.30
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 39 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 66 AND NAME hg2*	)  3.00	1.20	0.80
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 80 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 81 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME HZ3	)  (RESID 82 AND NAME HG1*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME hb#	)  (RESID 27 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME hb#	)  (RESID 24 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME hb#	)  (RESID 24 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 24 AND NAME hb#	)  (RESID 24 AND NAME HD1	)  3.00	1.20	0.30
ASSIGN (RESID 24 AND NAME hb#	)  (RESID 79 AND NAME hg1*	)  3.00	1.20	0.80
ASSIGN (RESID 25 AND NAME HA	)  (RESID 24 AND NAME hb1	)  4.00	2.20	1.00
ASSIGN (RESID 25 AND NAME HB#	)  (RESID 79 AND NAME hg*	)  4.00	2.20	1.50
ASSIGN (RESID 25 AND NAME HD#	)  (RESID 24 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 25 AND NAME HD#	)  (RESID 25 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 25 AND NAME HD#	)  (RESID 25 AND NAME HG#	)  3.00	1.20	0.30
ASSIGN (RESID 26 AND NAME HN	)  (RESID 23 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 26 AND NAME HN	)  (RESID 25 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 26 AND NAME HN	)  (RESID 25 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 26 AND NAME HN	)  (RESID 25 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HA	)  (RESID 24 AND NAME hb#	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HA	)  (RESID 26 AND NAME HB#	)  4.00	2.20	0.30
ASSIGN (RESID 27 AND NAME HA	)  (RESID 27 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HA	)  (RESID 27 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 27 AND NAME HA	)  (RESID 27 AND NAME HG	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HD*	)  (RESID 24 AND NAME hb#	)  4.00	2.20	1.50
ASSIGN (RESID 27 AND NAME HD*	)  (RESID 39 AND NAME HD*	)  4.00	2.20	2.00
ASSIGN (RESID 27 AND NAME HN	)  (RESID 25 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HN	)  (RESID 26 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HN	)  (RESID 26 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HN	)  (RESID 27 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HN	)  (RESID 27 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 27 AND NAME HN	)  (RESID 28 AND NAME hg*	)  4.00	2.20	1.50
ASSIGN (RESID 28 AND NAME HN	)  (RESID 26 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 28 AND NAME HN	)  (RESID 27 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 28 AND NAME HN	)  (RESID 28 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 28 AND NAME HN	)  (RESID 28 AND NAME hg*	)  3.00	1.20	0.80
ASSIGN (RESID 28 AND NAME HA	)  (RESID 27 AND NAME HA	)  4.00	2.20	0.80
ASSIGN (RESID 28 AND NAME hg*	)  (RESID 28 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 28 AND NAME hg*	)  (RESID 29 AND NAME HA#	)  4.00	2.20	1.50
ASSIGN (RESID 28 AND NAME hg*	)  (RESID 79 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 29 AND NAME HA#	)  (RESID 28 AND NAME hg*	)  3.00	1.20	0.80
ASSIGN (RESID 29 AND NAME HN	)  (RESID 28 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 29 AND NAME HN	)  (RESID 28 AND NAME hg*	)  4.00	2.20	1.50
ASSIGN (RESID 29 AND NAME HN	)  (RESID 29 AND NAME HA#	)  4.00	2.20	1.00
ASSIGN (RESID 29 AND NAME HN	)  (RESID 76 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 29 AND NAME HN	)  (RESID 76 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 30 AND NAME HA	)  (RESID 30 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 30 AND NAME HA	)  (RESID 30 AND NAME HB2	)  3.00	1.20	0.30
ASSIGN (RESID 30 AND NAME HD#	)  (RESID 30 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 30 AND NAME HN	)  (RESID 29 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 30 AND NAME HN	)  (RESID 30 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 30 AND NAME HN	)  (RESID 30 AND NAME hb2	)  3.00	1.20	0.30
ASSIGN (RESID 30 AND NAME HN	)  (RESID 30 AND NAME hb1	)  4.00	2.20	1.00
ASSIGN (RESID 30 AND NAME HN	)  (RESID 76 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 30 AND NAME HB1	)  (RESID 30 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 31 AND NAME HA	)  (RESID 32 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 31 AND NAME HA	)  (RESID 32 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 31 AND NAME HA	)  (RESID 75 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 31 AND NAME HB1	)  (RESID 31 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 31 AND NAME HB2	)  (RESID 31 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 31 AND NAME HB2	)  (RESID 31 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 31 AND NAME HB2	)  (RESID 34 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 31 AND NAME HN	)  (RESID 30 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 31 AND NAME HN	)  (RESID 30 AND NAME hb1	)  4.00	2.20	1.00
ASSIGN (RESID 31 AND NAME HN	)  (RESID 30 AND NAME hb2	)  4.00	2.20	1.00
ASSIGN (RESID 31 AND NAME HN	)  (RESID 31 AND NAME HB2	)  3.00	1.20	0.30
ASSIGN (RESID 32 AND NAME HA	)  (RESID 76 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 32 AND NAME HB	)  (RESID 32 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 32 AND NAME HB	)  (RESID 33 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 32 AND NAME HG*	)  (RESID 32 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 32 AND NAME HG*	)  (RESID 32 AND NAME HB	)  4.00	2.20	1.50
ASSIGN (RESID 32 AND NAME HN	)  (RESID 31 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 32 AND NAME HN	)  (RESID 31 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 32 AND NAME HN	)  (RESID 32 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 32 AND NAME HN	)  (RESID 32 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 32 AND NAME HN	)  (RESID 35 AND NAME HB*	)  4.00	2.20	1.50
ASSIGN (RESID 32 AND NAME HN	)  (RESID 75 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 33 AND NAME HA	)  (RESID 32 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 33 AND NAME HA	)  (RESID 33 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 33 AND NAME HA	)  (RESID 37 AND NAME hb#	)  4.00	2.20	1.00
ASSIGN (RESID 34 AND NAME HB#	)  (RESID 35 AND NAME HB*	)  4.00	2.20	1.50
ASSIGN (RESID 33 AND NAME HG#	)  (RESID 33 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 33 AND NAME HN	)  (RESID 33 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 33 AND NAME HN	)  (RESID 33 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 33 AND NAME HN	)  (RESID 33 AND NAME HG#	)  3.00	1.20	0.30
ASSIGN (RESID 34 AND NAME HA	)  (RESID 37 AND NAME hb#	)  4.00	2.20	1.00
ASSIGN (RESID 34 AND NAME HB#	)  (RESID 34 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 34 AND NAME HG#	)  (RESID 34 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 34 AND NAME HN	)  (RESID 33 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 34 AND NAME HN	)  (RESID 34 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 34 AND NAME HN	)  (RESID 34 AND NAME HB#	)  2.40	0.60	0.30
ASSIGN (RESID 34 AND NAME HN	)  (RESID 34 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 35 AND NAME HA	)  (RESID 24 AND NAME hb#	)  4.00	2.20	1.00
ASSIGN (RESID 35 AND NAME HA	)  (RESID 32 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 35 AND NAME HA	)  (RESID 38 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 35 AND NAME HA	)  (RESID 48 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 35 AND NAME HB*	)  (RESID 32 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 35 AND NAME HB*	)  (RESID 35 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 35 AND NAME HN	)  (RESID 32 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 35 AND NAME HN	)  (RESID 32 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 35 AND NAME HN	)  (RESID 34 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 35 AND NAME HN	)  (RESID 34 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 35 AND NAME HN	)  (RESID 34 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 35 AND NAME HN	)  (RESID 35 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 35 AND NAME HN	)  (RESID 35 AND NAME HB*	)  2.40	0.60	0.80
ASSIGN (RESID 35 AND NAME HN	)  (RESID 37 AND NAME hb#	)  4.00	2.20	1.00
ASSIGN (RESID 36 AND NAME HA	)  (RESID 35 AND NAME HB*	)  4.00	2.20	1.50
ASSIGN (RESID 36 AND NAME HA	)  (RESID 35 AND NAME HB*	)  4.00	2.20	1.50
ASSIGN (RESID 36 AND NAME HA	)  (RESID 36 AND NAME HD#	)  3.00	1.20	0.30
ASSIGN (RESID 36 AND NAME HA	)  (RESID 36 AND NAME HG#	)  3.00	1.20	0.30
ASSIGN (RESID 36 AND NAME HA	)  (RESID 39 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 36 AND NAME HA	)  (RESID 48 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 36 AND NAME HB#	)  (RESID 33 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 36 AND NAME HB#	)  (RESID 36 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 36 AND NAME HE#	)  (RESID 36 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 36 AND NAME HG#	)  (RESID 36 AND NAME HE#	)  4.00	2.20	1.00
ASSIGN (RESID 36 AND NAME HN	)  (RESID 35 AND NAME HB*	)  4.00	2.20	1.50
ASSIGN (RESID 36 AND NAME HN	)  (RESID 36 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 36 AND NAME HN	)  (RESID 36 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 36 AND NAME HN	)  (RESID 36 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 37 AND NAME HA	)  (RESID 36 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 37 AND NAME HD#	)  (RESID 37 AND NAME HE#	)  4.00	2.20	1.00
ASSIGN (RESID 37 AND NAME HN	)  (RESID 35 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 37 AND NAME HN	)  (RESID 36 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 37 AND NAME HN	)  (RESID 36 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 37 AND NAME HN	)  (RESID 37 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 37 AND NAME HN	)  (RESID 37 AND NAME hb#	)  3.00	1.20	0.30
ASSIGN (RESID 37 AND NAME hb#	)  (RESID 37 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 38 AND NAME HA	)  (RESID 38 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 38 AND NAME HG*	)  (RESID 34 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 38 AND NAME HG*	)  (RESID 34 AND NAME HG#	)  4.00	2.20	1.50
ASSIGN (RESID 38 AND NAME HG*	)  (RESID 38 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 38 AND NAME HG*	)  (RESID 38 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 38 AND NAME HG*	)  (RESID 38 AND NAME HB	)  3.00	1.20	0.80
ASSIGN (RESID 38 AND NAME HN	)  (RESID 37 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 38 AND NAME HN	)  (RESID 38 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 38 AND NAME HN	)  (RESID 38 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 38 AND NAME HN	)  (RESID 38 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 39 AND NAME HA	)  (RESID 24 AND NAME HD1	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HA	)  (RESID 38 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HA	)  (RESID 39 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 39 AND NAME HA	)  (RESID 39 AND NAME HG2*	)  3.00	1.20	0.80
ASSIGN (RESID 39 AND NAME HB	)  (RESID 36 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HB	)  (RESID 39 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HB	)  (RESID 39 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 39 AND NAME HG1#	)  (RESID 24 AND NAME HH2	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HG1#	)  (RESID 24 AND NAME HZ3	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HG1#	)  (RESID 39 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HG1#	)  (RESID 39 AND NAME HG2*	)  3.00	1.20	0.80
ASSIGN (RESID 39 AND NAME HN	)  (RESID 38 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 39 AND NAME HN	)  (RESID 38 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 39 AND NAME HN	)  (RESID 38 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 39 AND NAME HN	)  (RESID 39 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 39 AND NAME HN	)  (RESID 39 AND NAME HB	)  2.40	0.60	0.30
ASSIGN (RESID 39 AND NAME HN	)  (RESID 39 AND NAME HG1#	)  3.00	1.20	0.30
ASSIGN (RESID 39 AND NAME HN	)  (RESID 39 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 39 AND NAME HN	)  (RESID 48 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 40 AND NAME HB1	)  (RESID 40 AND NAME HB2	)  2.40	0.60	0.30
ASSIGN (RESID 40 AND NAME HN	)  (RESID 39 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 40 AND NAME HN	)  (RESID 39 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 40 AND NAME HN	)  (RESID 40 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 40 AND NAME HN	)  (RESID 40 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 40 AND NAME HN	)  (RESID 40 AND NAME HG	)  4.00	2.20	1.00
ASSIGN (RESID 40 AND NAME HN	)  (RESID 48 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 41 AND NAME HA	)  (RESID 40 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 41 AND NAME HA	)  (RESID 40 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 41 AND NAME HA	)  (RESID 40 AND NAME HG	)  4.00	2.20	1.00
ASSIGN (RESID 41 AND NAME HA	)  (RESID 45 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 41 AND NAME HA	)  (RESID 46 AND NAME HB*	)  4.00	2.20	1.50
ASSIGN (RESID 41 AND NAME HB#	)  (RESID 41 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 41 AND NAME HG#	)  (RESID 44 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 41 AND NAME HG#	)  (RESID 45 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 41 AND NAME HN	)  (RESID 40 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 41 AND NAME HN	)  (RESID 40 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 41 AND NAME HN	)  (RESID 41 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 42 AND NAME HA	)  (RESID 41 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 42 AND NAME HA	)  (RESID 42 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 42 AND NAME HB#	)  (RESID 24 AND NAME HD1	)  4.00	2.20	1.00
ASSIGN (RESID 42 AND NAME HN	)  (RESID 41 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 42 AND NAME HN	)  (RESID 42 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 42 AND NAME HN	)  (RESID 42 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 43 AND NAME HB#	)  (RESID 43 AND NAME HG#	)  3.00	1.20	0.30
ASSIGN (RESID 43 AND NAME HG#	)  (RESID 44 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 43 AND NAME HN	)  (RESID 42 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 43 AND NAME HN	)  (RESID 43 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 44 AND NAME HD#	)  (RESID 44 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 45 AND NAME HA	)  (RESID 40 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 45 AND NAME HA	)  (RESID 45 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 45 AND NAME HA	)  (RESID 45 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 45 AND NAME HB2	)  (RESID 45 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 45 AND NAME HG#	)  (RESID 44 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 45 AND NAME HN	)  (RESID 44 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 45 AND NAME HN	)  (RESID 45 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 45 AND NAME HN	)  (RESID 45 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 46 AND NAME HA	)  (RESID 45 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 46 AND NAME HA	)  (RESID 46 AND NAME HB*	)  3.00	1.20	0.80
ASSIGN (RESID 46 AND NAME HB*	)  (RESID 22 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 46 AND NAME HB*	)  (RESID 44 AND NAME HD#	)  4.00	2.20	1.50
ASSIGN (RESID 46 AND NAME HB*	)  (RESID 62 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 46 AND NAME HN	)  (RESID 45 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 46 AND NAME HN	)  (RESID 46 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 46 AND NAME HN	)  (RESID 82 AND NAME HG1*	)  4.00	2.20	1.50
ASSIGN (RESID 47 AND NAME HN	)  (RESID 46 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 47 AND NAME HN	)  (RESID 47 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 48 AND NAME HA	)  (RESID 49 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 48 AND NAME HD*	)  (RESID 39 AND NAME HG2*	)  3.00	1.20	1.30
ASSIGN (RESID 48 AND NAME HD*	)  (RESID 48 AND NAME HB	)  3.00	1.20	0.80
ASSIGN (RESID 48 AND NAME HG1#	)  (RESID 48 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 48 AND NAME HG2*	)  (RESID 48 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 48 AND NAME HN	)  (RESID 47 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 49 AND NAME HB	)  (RESID 49 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 49 AND NAME HG1#	)  (RESID 49 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 49 AND NAME HG2*	)  (RESID 49 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 49 AND NAME HG2*	)  (RESID 67 AND NAME HD#	)  3.00	1.20	0.80
ASSIGN (RESID 49 AND NAME HN	)  (RESID 66 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 50 AND NAME HA	)  (RESID 48 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 50 AND NAME HA	)  (RESID 49 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 50 AND NAME HA	)  (RESID 50 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 50 AND NAME HA	)  (RESID 50 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 50 AND NAME HA	)  (RESID 68 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 50 AND NAME HA	)  (RESID 68 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 50 AND NAME HB	)  (RESID 68 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 50 AND NAME HG*	)  (RESID 49 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 50 AND NAME HN	)  (RESID 49 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 50 AND NAME HN	)  (RESID 50 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 50 AND NAME HN	)  (RESID 50 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 51 AND NAME HA	)  (RESID 51 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 51 AND NAME HB2	)  (RESID 51 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 51 AND NAME HB2	)  (RESID 53 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 51 AND NAME HD*	)  (RESID 50 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 51 AND NAME HD*	)  (RESID 51 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 51 AND NAME HD*	)  (RESID 56 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 51 AND NAME HN	)  (RESID 50 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 51 AND NAME HN	)  (RESID 50 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 51 AND NAME HN	)  (RESID 51 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 22 AND NAME HA	)  (RESID 82 AND NAME HG*	)  4.00	2.20	1.00
ASSIGN (RESID 52 AND NAME HA	)  (RESID 51 AND NAME HG	)  4.00	2.20	1.00
ASSIGN (RESID 52 AND NAME HD#	)  (RESID 51 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 52 AND NAME HD#	)  (RESID 51 AND NAME HB2	)  3.00	1.20	0.30
ASSIGN (RESID 52 AND NAME HD#	)  (RESID 51 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 52 AND NAME HD#	)  (RESID 52 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 52 AND NAME HG#	)  (RESID 52 AND NAME HD#	)  3.00	1.20	0.30
ASSIGN (RESID 53 AND NAME HG*	)  (RESID 53 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 53 AND NAME HG*	)  (RESID 53 AND NAME HB	)  4.00	2.20	1.50
ASSIGN (RESID 54 AND NAME HA#	)  (RESID 52 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 54 AND NAME HN	)  (RESID 53 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 54 AND NAME HN	)  (RESID 54 AND NAME HA#	)  3.00	1.20	0.30
ASSIGN (RESID 55 AND NAME HN	)  (RESID 54 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 55 AND NAME HN	)  (RESID 55 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 56 AND NAME HN	)  (RESID 55 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 56 AND NAME HN	)  (RESID 55 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 56 AND NAME HN	)  (RESID 56 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 56 AND NAME HN	)  (RESID 56 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 57 AND NAME HA	)  (RESID 57 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 57 AND NAME HA	)  (RESID 57 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 57 AND NAME HN	)  (RESID 56 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 57 AND NAME HN	)  (RESID 57 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 58 AND NAME HB	)  (RESID 58 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 58 AND NAME HN	)  (RESID 57 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HA	)  (RESID 61 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 61 AND NAME HD#	)  (RESID 61 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HD#	)  (RESID 61 AND NAME HB#	)  2.40	0.60	0.30
ASSIGN (RESID 61 AND NAME HD#	)  (RESID 62 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HE#	)  (RESID 61 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HE#	)  (RESID 61 AND NAME HD#	)  2.40	0.60	0.30
ASSIGN (RESID 61 AND NAME HE#	)  (RESID 63 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HE#	)  (RESID 63 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 61 AND NAME HE#	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HE#	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HN	)  (RESID 60 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 61 AND NAME HN	)  (RESID 60 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 61 AND NAME HN	)  (RESID 61 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 62 AND NAME HA	)  (RESID 62 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 62 AND NAME HA	)  (RESID 62 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 62 AND NAME HB#	)  (RESID 62 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 62 AND NAME HB#	)  (RESID 62 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 62 AND NAME HN	)  (RESID 61 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 62 AND NAME HN	)  (RESID 61 AND NAME HE#	)  4.00	2.20	1.00
ASSIGN (RESID 62 AND NAME HN	)  (RESID 62 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 62 AND NAME HN	)  (RESID 62 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 63 AND NAME HA	)  (RESID 61 AND NAME HE#	)  4.00	2.20	1.00
ASSIGN (RESID 63 AND NAME HA	)  (RESID 63 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 63 AND NAME HA	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 63 AND NAME HB	)  (RESID 63 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 63 AND NAME HG1#	)  (RESID 63 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 63 AND NAME HN	)  (RESID 62 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 63 AND NAME HN	)  (RESID 63 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 63 AND NAME HN	)  (RESID 63 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 63 AND NAME HN	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HB#	)  (RESID 45 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HB#	)  (RESID 62 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HB#	)  (RESID 62 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HB#	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HB#	)  (RESID 64 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 64 AND NAME HN	)  (RESID 63 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HN	)  (RESID 63 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 64 AND NAME HN	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HN	)  (RESID 63 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 64 AND NAME HN	)  (RESID 64 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 65 AND NAME HA	)  (RESID 47 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 65 AND NAME HA	)  (RESID 48 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 51 AND NAME HA	)  (RESID 52 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 65 AND NAME HA	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 65 AND NAME HA	)  (RESID 65 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 65 AND NAME HA	)  (RESID 65 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 65 AND NAME HD#	)  (RESID 49 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 65 AND NAME HD#	)  (RESID 63 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 65 AND NAME HD#	)  (RESID 65 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 65 AND NAME HN	)  (RESID 64 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 65 AND NAME HN	)  (RESID 65 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 66 AND NAME HA	)  (RESID 80 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 66 AND NAME HA	)  (RESID 82 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 66 AND NAME HB	)  (RESID 39 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 66 AND NAME HN	)  (RESID 65 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 66 AND NAME HN	)  (RESID 65 AND NAME HG#	)  3.00	1.20	0.30
ASSIGN (RESID 66 AND NAME HN	)  (RESID 66 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 66 AND NAME HN	)  (RESID 66 AND NAME hg2*	)  4.00	2.20	1.50
ASSIGN (RESID 66 AND NAME hg1*	)  (RESID 39 AND NAME HG2*	)  4.00	2.20	2.00
ASSIGN (RESID 66 AND NAME hg1*	)  (RESID 66 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 66 AND NAME hg1*	)  (RESID 66 AND NAME HB	)  3.00	1.20	0.80
ASSIGN (RESID 66 AND NAME hg1*	)  (RESID 82 AND NAME HB	)  4.00	2.20	1.50
ASSIGN (RESID 66 AND NAME hg2*	)  (RESID 66 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 67 AND NAME HA	)  (RESID 67 AND NAME HB#	)  3.00	1.20	0.30
ASSIGN (RESID 67 AND NAME HB#	)  (RESID 66 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 67 AND NAME HD#	)  (RESID 51 AND NAME HD*	)  3.00	1.20	0.80
ASSIGN (RESID 67 AND NAME HN	)  (RESID 66 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 67 AND NAME HN	)  (RESID 66 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 67 AND NAME HN	)  (RESID 66 AND NAME hg1*	)  4.00	2.20	1.50
ASSIGN (RESID 67 AND NAME HN	)  (RESID 67 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 68 AND NAME HA	)  (RESID 68 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 68 AND NAME HA	)  (RESID 68 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 68 AND NAME HD*	)  (RESID 32 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 39 AND NAME HG1#	)  (RESID 35 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 68 AND NAME HD*	)  (RESID 36 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 68 AND NAME HD*	)  (RESID 68 AND NAME HB#	)  3.00	1.20	0.80
ASSIGN (RESID 68 AND NAME HG	)  (RESID 50 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 68 AND NAME HG	)  (RESID 68 AND NAME HD*	)  3.00	1.20	0.80
ASSIGN (RESID 69 AND NAME HA	)  (RESID 51 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HA	)  (RESID 51 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HA	)  (RESID 51 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 69 AND NAME HA	)  (RESID 53 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HA	)  (RESID 53 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 69 AND NAME HD#	)  (RESID 51 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HD#	)  (RESID 51 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 69 AND NAME HD#	)  (RESID 53 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 69 AND NAME HD#	)  (RESID 53 AND NAME HG*	)  3.00	1.20	0.80
ASSIGN (RESID 69 AND NAME HD#	)  (RESID 67 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HD#	)  (RESID 69 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 69 AND NAME HD#	)  (RESID 69 AND NAME hb2	)  3.00	1.20	0.30
ASSIGN (RESID 69 AND NAME HE#	)  (RESID 51 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HE#	)  (RESID 51 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HE#	)  (RESID 51 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 69 AND NAME HE#	)  (RESID 51 AND NAME HG	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HE#	)  (RESID 67 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HE#	)  (RESID 69 AND NAME HD#	)  3.00	1.20	0.30
ASSIGN (RESID 69 AND NAME HE#	)  (RESID 69 AND NAME hb2	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME HN	)  (RESID 69 AND NAME hb1	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME hb1	)  (RESID 53 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME hb2	)  (RESID 53 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 69 AND NAME hb2	)  (RESID 67 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME hb1	)  (RESID 69 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 69 AND NAME hb1	)  (RESID 69 AND NAME HD#	)  3.00	1.20	0.30
ASSIGN (RESID 69 AND NAME hb1	)  (RESID 53 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 69 AND NAME hb2	)  (RESID 69 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 69 AND NAME hb2	)  (RESID 69 AND NAME Hb1	)  3.00	1.20	0.30
ASSIGN (RESID 76 AND NAME hb	)  (RESID 76 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 70 AND NAME HA	)  (RESID 53 AND NAME HG*	)  4.00	2.20	1.50
ASSIGN (RESID 70 AND NAME HA	)  (RESID 70 AND NAME HG2*	)  3.00	1.20	0.80
ASSIGN (RESID 70 AND NAME HA	)  (RESID 76 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 70 AND NAME HB	)  (RESID 70 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 70 AND NAME HB	)  (RESID 71 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 70 AND NAME HG1*	)  (RESID 68 AND NAME HG	)  4.00	2.20	1.50
ASSIGN (RESID 70 AND NAME HG1*	)  (RESID 70 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 70 AND NAME HG1*	)  (RESID 70 AND NAME HB	)  2.40	0.60	0.80
ASSIGN (RESID 48 AND NAME HD*	)  (RESID 48 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 70 AND NAME HN	)  (RESID 69 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 70 AND NAME HN	)  (RESID 70 AND NAME HG2*	)  3.00	1.20	0.80
ASSIGN (RESID 71 AND NAME HB1	)  (RESID 71 AND NAME HB2	)  3.00	1.20	0.30
ASSIGN (RESID 71 AND NAME HB1	)  (RESID 72 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 71 AND NAME HN	)  (RESID 70 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 71 AND NAME HN	)  (RESID 70 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 72 AND NAME HB#	)  (RESID 72 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 72 AND NAME HN	)  (RESID 71 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 72 AND NAME HN	)  (RESID 71 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 72 AND NAME HN	)  (RESID 71 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 72 AND NAME HN	)  (RESID 72 AND NAME HB#	)  2.40	0.60	0.30
ASSIGN (RESID 72 AND NAME HN	)  (RESID 72 AND NAME HG#	)  3.00	1.20	0.30
ASSIGN (RESID 73 AND NAME HB#	)  (RESID 73 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 73 AND NAME HG	)  (RESID 73 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 73 AND NAME HN	)  (RESID 72 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 73 AND NAME HN	)  (RESID 72 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 73 AND NAME HN	)  (RESID 73 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 73 AND NAME HN	)  (RESID 73 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 74 AND NAME HA	)  (RESID 74 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 74 AND NAME HB1	)  (RESID 70 AND NAME HG1*	)  3.00	1.20	0.80
ASSIGN (RESID 74 AND NAME HB2	)  (RESID 74 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 74 AND NAME HB2	)  (RESID 74 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 74 AND NAME HN	)  (RESID 70 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 74 AND NAME HN	)  (RESID 70 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 74 AND NAME HN	)  (RESID 72 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 74 AND NAME HN	)  (RESID 73 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 74 AND NAME HN	)  (RESID 73 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 74 AND NAME HN	)  (RESID 74 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 74 AND NAME HN	)  (RESID 75 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 75 AND NAME HA	)  (RESID 30 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 75 AND NAME HA	)  (RESID 31 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 75 AND NAME HA	)  (RESID 31 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 75 AND NAME HA	)  (RESID 75 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 75 AND NAME HB2	)  (RESID 75 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 75 AND NAME HB2	)  (RESID 75 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 75 AND NAME HN	)  (RESID 70 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 75 AND NAME HN	)  (RESID 74 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 75 AND NAME HN	)  (RESID 74 AND NAME HN	)  4.00	2.20	1.00
ASSIGN (RESID 75 AND NAME HN	)  (RESID 75 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 75 AND NAME HN	)  (RESID 75 AND NAME HB1	)  3.00	1.20	0.30
ASSIGN (RESID 75 AND NAME HN	)  (RESID 73 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 76 AND NAME HA	)  (RESID 70 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 76 AND NAME HA	)  (RESID 76 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 76 AND NAME HB	)  (RESID 28 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 76 AND NAME HG1#	)  (RESID 76 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 76 AND NAME HG2*	)  (RESID 28 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 49 AND NAME HG1#	)  (RESID 49 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 76 AND NAME HG2*	)  (RESID 76 AND NAME HB	)  3.00	1.20	0.80
ASSIGN (RESID 76 AND NAME HN	)  (RESID 31 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 76 AND NAME HN	)  (RESID 71 AND NAME HB1	)  4.00	2.20	1.00
ASSIGN (RESID 76 AND NAME HN	)  (RESID 75 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 76 AND NAME HN	)  (RESID 75 AND NAME HB2	)  4.00	2.20	1.00
ASSIGN (RESID 76 AND NAME HN	)  (RESID 76 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 76 AND NAME HN	)  (RESID 76 AND NAME HG1#	)  4.00	2.20	1.00
ASSIGN (RESID 77 AND NAME HA	)  (RESID 77 AND NAME HB*	)  3.00	1.20	0.80
ASSIGN (RESID 77 AND NAME HB*	)  (RESID 71 AND NAME HB1	)  3.00	1.20	0.80
ASSIGN (RESID 77 AND NAME HN	)  (RESID 75 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 77 AND NAME HN	)  (RESID 76 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 77 AND NAME HN	)  (RESID 76 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 78 AND NAME HB#	)  (RESID 78 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 78 AND NAME HN	)  (RESID 76 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 78 AND NAME HN	)  (RESID 76 AND NAME HG2*	)  4.00	2.20	1.50
ASSIGN (RESID 78 AND NAME HN	)  (RESID 77 AND NAME HB*	)  4.00	2.20	1.50
ASSIGN (RESID 78 AND NAME HN	)  (RESID 77 AND NAME HN	)  3.00	1.20	0.30
ASSIGN (RESID 78 AND NAME HN	)  (RESID 78 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 79 AND NAME HA	)  (RESID 79 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 79 AND NAME HA	)  (RESID 79 AND NAME hg*	)  4.00	2.20	1.50
ASSIGN (RESID 79 AND NAME hg1*	)  (RESID 79 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 79 AND NAME hg1*	)  (RESID 79 AND NAME HB	)  3.00	1.20	0.80
ASSIGN (RESID 79 AND NAME hg2*	)  (RESID 79 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 79 AND NAME hg2*	)  (RESID 79 AND NAME HB	)  4.00	2.20	0.80
ASSIGN (RESID 79 AND NAME hg2*	)  (RESID 79 AND NAME Hg1*	)  3.00	1.20	0.80
ASSIGN (RESID 79 AND NAME hg1*	)  (RESID 80 AND NAME HB#	)  4.00	2.20	1.50
ASSIGN (RESID 79 AND NAME HN	)  (RESID 28 AND NAME hg*	)  4.00	2.20	1.50
ASSIGN (RESID 79 AND NAME HN	)  (RESID 78 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 79 AND NAME HN	)  (RESID 79 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 79 AND NAME HN	)  (RESID 79 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 79 AND NAME HN	)  (RESID 79 AND NAME hg2*	)  3.00	1.20	0.80
ASSIGN (RESID 80 AND NAME HD#	)  (RESID 27 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 80 AND NAME HD#	)  (RESID 27 AND NAME HG	)  4.00	2.20	1.00
ASSIGN (RESID 52 AND NAME HD#	)  (RESID 51 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 80 AND NAME HD#	)  (RESID 76 AND NAME HD*	)  4.00	2.20	1.50
ASSIGN (RESID 80 AND NAME HD#	)  (RESID 79 AND NAME hg2*	)  4.00	2.20	1.50
ASSIGN (RESID 80 AND NAME HD#	)  (RESID 80 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 80 AND NAME HD#	)  (RESID 80 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HA	)  (RESID 23 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 81 AND NAME HA	)  (RESID 24 AND NAME HE3	)  3.00	1.20	0.30
ASSIGN (RESID 81 AND NAME HA	)  (RESID 24 AND NAME HZ3	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HA	)  (RESID 81 AND NAME HE	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HB#	)  (RESID 24 AND NAME HE3	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HB#	)  (RESID 81 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HD#	)  (RESID 24 AND NAME hb#	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HD#	)  (RESID 81 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HG#	)  (RESID 22 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HG#	)  (RESID 81 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HG#	)  (RESID 81 AND NAME HD#	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HN	)  (RESID 80 AND NAME HG#	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HN	)  (RESID 81 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 81 AND NAME HN	)  (RESID 81 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 82 AND NAME HA	)  (RESID 82 AND NAME HB	)  3.00	1.20	0.30
ASSIGN (RESID 82 AND NAME HB	)  (RESID 22 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 82 AND NAME HG1*	)  (RESID 44 AND NAME HD#	)  4.00	2.20	1.50
ASSIGN (RESID 82 AND NAME HG1*	)  (RESID 22 AND NAME HA	)  4.00	2.20	1.50
ASSIGN (RESID 82 AND NAME HG1*	)  (RESID 44 AND NAME HD#	)  4.00	2.20	1.50
ASSIGN (RESID 82 AND NAME HG1*	)  (RESID 82 AND NAME HA	)  3.00	1.20	0.80
ASSIGN (RESID 82 AND NAME HG1*	)  (RESID 82 AND NAME HB	)  4.00	2.20	1.50
ASSIGN (RESID 82 AND NAME HG2*	)  (RESID 24 AND NAME HH2	)  3.00	1.20	0.80
ASSIGN (RESID 82 AND NAME HG2*	)  (RESID 24 AND NAME HZ3	)  3.00	1.20	0.80
ASSIGN (RESID 82 AND NAME HN	)  (RESID 81 AND NAME HA	)  3.00	1.20	0.30
ASSIGN (RESID 82 AND NAME HN	)  (RESID 81 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 82 AND NAME HN	)  (RESID 82 AND NAME HB	)  4.00	2.20	1.00
ASSIGN (RESID 82 AND NAME HN	)  (RESID 82 AND NAME HG1*	)  4.00	2.20	1.50
ASSIGN (RESID 83 AND NAME HN	)  (RESID 82 AND NAME HA	)  4.00	2.20	1.00
ASSIGN (RESID 83 AND NAME HN	)  (RESID 82 AND NAME HG1*	)  3.00	1.20	0.80
ASSIGN (RESID 83 AND NAME HN	)  (RESID 83 AND NAME HA#	)  4.00	2.20	1.00
ASSIGN (RESID 68 AND NAME HD*	)  (RESID 69 AND NAME HB#	)  4.00	2.20	1.50
ASSIGN (RESID 35 AND NAME HA	)  (RESID 37 AND NAME HB#	)  4.00	2.20	1.00
ASSIGN (RESID 82 AND NAME HB	)  (RESID 66 AND NAME hg*	)  4.00	2.20	1.50
ASSIGN (RESID 24 AND NAME HE3   )  (RESID 23 AND NAME HA        )  3.00 1.20    0.30
ASSIGN (RESID 27 AND NAME HA    )  (RESID 27 AND NAME HB#       )  3.00 1.20    0.30
ASSIGN (RESID 30 AND NAME HN    )  (RESID 76 AND NAME HB        )  4.00 2.20    1.00
ASSIGN (RESID 38 AND NAME HA    )  (RESID 41 AND NAME HB#       )  4.00 2.20    1.00
ASSIGN (RESID 49 AND NAME HG2*  )  (RESID 67 AND NAME HD#       )  4.00 2.20    1.50
ASSIGN (RESID 50 AND NAME HA    )  (RESID 68 AND NAME HD*       )  4.00 2.20    1.50
ASSIGN (RESID 51 AND NAME HD*   )  (RESID 67 AND NAME HD#       )  4.00 2.20    1.50
ASSIGN (RESID 68 AND NAME HD*   )  (RESID 35 AND NAME HA        )  4.00 2.20    1.50
ASSIGN (RESID 68 AND NAME HD*   )  (RESID 76 AND NAME HB        )  4.00 2.20    1.50
ASSIGN (RESID 69 AND NAME HD#   )  (RESID 51 AND NAME HG        )  4.00 2.20    1.00
ASSIGN (RESID 75 AND NAME HN    )  (RESID 70 AND NAME HB        )  4.00 2.20    1.00
ASSIGN (RESID 76 AND NAME HB    )  (RESID 28 AND NAME HA        )  4.00 2.20    1.00
ASSIGN (RESID 77 AND NAME HB*   )  (RESID 71 AND NAME HB1       )  4.00 2.20    1.50
ASSIGN (RESID 77 AND NAME HB*   )  (RESID 70 AND NAME HA        )  4.00 2.20    1.50
ASSIGN (RESID 78 AND NAME HN    )  (RESID 76 AND NAME HG2*      )  3.00 1.20    0.80
ASSIGN (RESID 81 AND NAME HA    )  (RESID 23 AND NAME HA        )  2.40 0.60    0.30
-------------------------------------------------------------------------
ASSIGN (RESID  24 AND NAME N   ) (RESID   80 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  24 AND NAME HN  ) (RESID   80 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  27 AND NAME N   ) (RESID   24 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  27 AND NAME HN  ) (RESID   24 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  28 AND NAME N   ) (RESID   25 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  28 AND NAME HN  ) (RESID   25 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  29 AND NAME N   ) (RESID   76 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  29 AND NAME HN  ) (RESID   76 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  30 AND NAME N   ) (RESID   27 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  30 AND NAME HN  ) (RESID   27 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  35 AND NAME N   ) (RESID   31 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  35 AND NAME HN  ) (RESID   31 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  36 AND NAME N   ) (RESID   32 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  36 AND NAME HN  ) (RESID   32 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  37 AND NAME N   ) (RESID   33 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  37 AND NAME HN  ) (RESID   33 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  38 AND NAME N   ) (RESID   34 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  38 AND NAME HN  ) (RESID   34 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  39 AND NAME N   ) (RESID   35 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  39 AND NAME HN  ) (RESID   35 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  40 AND NAME N   ) (RESID   36 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  40 AND NAME HN  ) (RESID   36 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  41 AND NAME N   ) (RESID   38 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  41 AND NAME HN  ) (RESID   38 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  47 AND NAME N   ) (RESID   64 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  47 AND NAME HN  ) (RESID   64 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  49 AND NAME N   ) (RESID   66 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  49 AND NAME HN  ) (RESID   66 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  51 AND NAME N   ) (RESID   68 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  51 AND NAME HN  ) (RESID   68 AND NAME O   )  1.9 0.1 0.1

ASSIGN (RESID  68 AND NAME N   ) (RESID   49 AND NAME O   )  2.9 0.2 0.1
ASSIGN (RESID  68 AND NAME HN  ) (RESID   49 AND NAME O   )  1.9 0.1 0.1
-------------------------------------------------------------------------
restraints dihedral reset
assign (resid 20 and name c ) (resid 21 and name n) (resid 21 and name ca) (resid 21 and name c) 1 -60.0 30.0 2
assign (resid 21 and name c ) (resid 22 and name n) (resid 22 and name ca) (resid 22 and name c) 1 -120.0 30.0 2
assign (resid 22 and name c ) (resid 23 and name n) (resid 23 and name ca) (resid 23 and name c) 1 -120.0 30.0 2
assign (resid 23 and name CG) (resid 23 and name CB ) (resid 23 and name CA ) (resid 23 and name N ) 1 60.0 60 2
assign (resid 25 and name c ) (resid 26 and name n) (resid 26 and name ca) (resid 26 and name c) 1 -60.0 40.0 2
assign (resid 27 and name c ) (resid 28 and name n) (resid 28 and name ca) (resid 28 and name c) 1 -60.0 30.0 2
assign (resid 28 and name CG1) (resid 28 and name CB ) (resid 28 and name CA ) (resid 28 and name N ) 1 -180.0 60 2
assign (resid 29 and name c ) (resid 30 and name n) (resid 30 and name ca) (resid 30 and name c) 1 -120.0 30.0 2
assign (resid 30 and name CG) (resid 30 and name CB ) (resid 30 and name CA ) (resid 30 and name N ) 1 -180.0 60 2
assign (resid 30 and name c ) (resid 31 and name n) (resid 31 and name ca) (resid 31 and name c) 1 -120.0 30.0 2
assign (resid 31 and name OG) (resid 31 and name CB ) (resid 31 and name CA ) (resid 31 and name N ) 1 60.0 60 2
assign (resid 31 and name c ) (resid 32 and name n) (resid 32 and name ca) (resid 32 and name c) 1 -60.0 30.0 2
assign (resid 32 and name c ) (resid 33 and name n) (resid 33 and name ca) (resid 33 and name c) 1 -60.0 30.0 2
assign (resid 33 and name c ) (resid 34 and name n) (resid 34 and name ca) (resid 34 and name c) 1 -60.0 30.0 2
assign (resid 34 and name c ) (resid 35 and name n) (resid 35 and name ca) (resid 35 and name c) 1 -60.0 30.0 2
assign (resid 35 and name c ) (resid 36 and name n) (resid 36 and name ca) (resid 36 and name c) 1 -60.0 30.0 2
assign (resid 36 and name c ) (resid 37 and name n) (resid 37 and name ca) (resid 37 and name c) 1 -60.0 30.0 2
assign (resid 37 and name c ) (resid 38 and name n) (resid 38 and name ca) (resid 38 and name c) 1 -60.0 30.0 2
assign (resid 38 and name c ) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c) 1 -60.0 30.0 2
assign (resid 39 and name CG1) (resid 39 and name CB ) (resid 39 and name CA ) (resid 39 and name N ) 1 -60.0 60 2
assign (resid 39 and name c ) (resid 40 and name n) (resid 40 and name ca) (resid 40 and name c) 1 -60.0 30.0 2
assign (resid 40 and name CG) (resid 40 and name CB ) (resid 40 and name CA ) (resid 40 and name N ) 1 -180.0 60 2
assign (resid 45 and name c ) (resid 46 and name n) (resid 46 and name ca) (resid 46 and name c) 1 -120.0 30.0 2
assign (resid 46 and name c ) (resid 47 and name n) (resid 47 and name ca) (resid 47 and name c) 1 -120.0 30.0 2
assign (resid 47 and name c ) (resid 48 and name n) (resid 48 and name ca) (resid 48 and name c) 1 -120.0 30.0 2
assign (resid 48 and name CG1) (resid 48 and name CB ) (resid 48 and name CA ) (resid 48 and name N ) 1 -180.0 60 2
assign (resid 48 and name c ) (resid 49 and name n) (resid 49 and name ca) (resid 49 and name c) 1 -120.0 30.0 2
assign (resid 49 and name CG1) (resid 49 and name CB ) (resid 49 and name CA ) (resid 49 and name N ) 1 -60.0 60 2
assign (resid 49 and name c ) (resid 50 and name n) (resid 50 and name ca) (resid 50 and name c) 1 -120.0 30.0 2
assign (resid 50 and name c ) (resid 51 and name n) (resid 51 and name ca) (resid 51 and name c) 1 -120.0 30.0 2
assign (resid 51 and name CG) (resid 51 and name CB ) (resid 51 and name CA ) (resid 51 and name N ) 1 60.0 60 2
assign (resid 54 and name c ) (resid 55 and name n) (resid 55 and name ca) (resid 55 and name c) 1 -60.0 40.0 2
assign (resid 61 and name c ) (resid 62 and name n) (resid 62 and name ca) (resid 62 and name c) 1 -120.0 30.0 2
assign (resid 62 and name c ) (resid 63 and name n) (resid 63 and name ca) (resid 63 and name c) 1 -60.0 30.0 2
assign (resid 63 and name CG1) (resid 63 and name CB ) (resid 63 and name CA ) (resid 63 and name N ) 1 -180.0 60 2
assign (resid 63 and name c ) (resid 64 and name n) (resid 64 and name ca) (resid 64 and name c) 1 -120.0 30.0 2
assign (resid 64 and name c ) (resid 65 and name n) (resid 65 and name ca) (resid 65 and name c) 1 -120.0 30.0 2
assign (resid 65 and name c ) (resid 66 and name n) (resid 66 and name ca) (resid 66 and name c) 1 -120.0 30.0 2
assign (resid 66 and name CG1) (resid 66 and name CB ) (resid 66 and name CA ) (resid 66 and name N ) 1 -180.0 60 2
assign (resid 69 and name CG) (resid 69 and name CB ) (resid 69 and name CA ) (resid 69 and name N ) 1 -60.0 60 2
assign (resid 69 and name c ) (resid 70 and name n) (resid 70 and name ca) (resid 70 and name c) 1 -120.0 30.0 2
assign (resid 70 and name CG1) (resid 70 and name CB ) (resid 70 and name CA ) (resid 70 and name N ) 1 -60.0 60 2
assign (resid 70 and name c ) (resid 71 and name n) (resid 71 and name ca) (resid 71 and name c) 1 -120.0 30.0 2
assign (resid 71 and name CG) (resid 71 and name CB ) (resid 71 and name CA ) (resid 71 and name N ) 1 60.0 60 2
assign (resid 71 and name c ) (resid 72 and name n) (resid 72 and name ca) (resid 72 and name c) 1 -60.0 30.0 2
assign (resid 72 and name c ) (resid 73 and name n) (resid 73 and name ca) (resid 73 and name c) 1 -120.0 30.0 2
assign (resid 73 and name c ) (resid 74 and name n) (resid 74 and name ca) (resid 74 and name c) 1 60.0 30.0 2
assign (resid 74 and name CG) (resid 74 and name CB ) (resid 74 and name CA ) (resid 74 and name N ) 1 60.0 60 2
assign (resid 74 and name c ) (resid 75 and name n) (resid 75 and name ca) (resid 75 and name c) 1 -120.0 30.0 2
assign (resid 75 and name CG) (resid 75 and name CB ) (resid 75 and name CA ) (resid 75 and name N ) 1 -180.0 60 2
assign (resid 75 and name c ) (resid 76 and name n) (resid 76 and name ca) (resid 76 and name c) 1 -60.0 30.0 2
assign (resid 76 and name CG1) (resid 76 and name CB ) (resid 76 and name CA ) (resid 76 and name N ) 1 -60.0 60 2
assign (resid 76 and name c ) (resid 77 and name n) (resid 77 and name ca) (resid 77 and name c) 1 -120.0 30.0 2
assign (resid 77 and name c ) (resid 78 and name n) (resid 78 and name ca) (resid 78 and name c) 1 -120.0 30.0 2
assign (resid 78 and name c ) (resid 79 and name n) (resid 79 and name ca) (resid 79 and name c) 1 -60.0 30.0 2
assign (resid 79 and name CG1) (resid 79 and name CB ) (resid 79 and name CA ) (resid 79 and name N ) 1 -180.0 60 2
assign (resid 80 and name c ) (resid 81 and name n) (resid 81 and name ca) (resid 81 and name c) 1 -120.0 30.0 2
end

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  552 H/Q atoms
  Start of MODEL    1
    1   1H    MET   1          2H        MET   1 -14.333   5.870  -2.900
    2   2H    MET   1          1H        MET   1 -15.890   5.198  -2.787
    3   3H    MET   1          3H        MET   1 -14.751   4.905  -1.566
    4    HA   MET   1           HA       MET   1 -14.551   2.959  -2.694
    5   1HB   MET   1          2HB       MET   1 -15.945   4.459  -4.682
    6   2HB   MET   1          1HB       MET   1 -14.545   3.717  -5.457
    7   1HG   MET   1          2HG       MET   1 -15.211   1.529  -4.406
    8   2HG   MET   1          1HG       MET   1 -16.690   2.308  -3.845
    9   1HE   MET   1          1HE       MET   1 -15.840  -0.073  -5.450
   10   2HE   MET   1          3HE       MET   1 -17.448  -0.243  -6.167
   11   3HE   MET   1          2HE       MET   1 -16.033  -0.059  -7.201
   12    H    LYS   2           H        LYS   2 -12.420   4.143  -1.740
   13    HA   LYS   2           HA       LYS   2 -10.490   5.021  -3.712
   14   1HB   LYS   2          2HB       LYS   2 -10.327   5.648  -1.313
   15   2HB   LYS   2          1HB       LYS   2 -10.017   3.959  -0.912
   16   1HG   LYS   2          2HG       LYS   2  -7.881   5.074  -1.045
   17   2HG   LYS   2          1HG       LYS   2  -8.030   4.036  -2.464
   18   1HD   LYS   2          2HD       LYS   2  -7.261   6.082  -3.353
   19   2HD   LYS   2          1HD       LYS   2  -9.000   6.134  -3.638
   20   1HE   LYS   2          2HE       LYS   2  -8.300   7.164  -1.000
   21   2HE   LYS   2          1HE       LYS   2  -7.505   8.064  -2.293
   22   1HZ   LYS   2          3HZ       LYS   2  -9.980   7.765  -3.272
   23   2HZ   LYS   2          2HZ       LYS   2 -10.310   7.895  -1.611
   24   3HZ   LYS   2          1HZ       LYS   2  -9.455   9.128  -2.409
   25    H    THR   3           H        THR   3  -9.754   3.630  -5.239
   26    HA   THR   3           HA       THR   3  -8.846   0.932  -4.335
   27    HB   THR   3           HB       THR   3  -9.991  -0.189  -6.016
   28    HG1  THR   3           HG1      THR   3  -9.301   0.908  -7.780
   29   1HG2  THR   3          2HG2      THR   3 -11.559   1.132  -4.426
   30   2HG2  THR   3          1HG2      THR   3 -11.863   2.166  -5.822
   31   3HG2  THR   3          3HG2      THR   3 -12.261   0.450  -5.893
   32    H    GLU   4           H        GLU   4  -7.889   3.802  -5.523
   33    HA   GLU   4           HA       GLU   4  -5.770   2.505  -7.165
   34   1HB   GLU   4          2HB       GLU   4  -6.195   5.245  -8.013
   35   2HB   GLU   4          1HB       GLU   4  -6.228   3.768  -8.980
   36   1HG   GLU   4          2HG       GLU   4  -8.581   3.368  -8.165
   37   2HG   GLU   4          1HG       GLU   4  -8.529   4.960  -7.408
   38    H    TRP   5           H        TRP   5  -6.651   5.096  -4.950
   39    HA   TRP   5           HA       TRP   5  -5.219   6.523  -3.708
   40   1HB   TRP   5          2HB       TRP   5  -3.282   4.250  -4.231
   41   2HB   TRP   5          1HB       TRP   5  -3.154   5.453  -2.937
   42    HD1  TRP   5           HD1      TRP   5  -5.477   5.454  -1.247
   43    HE1  TRP   5           HE1      TRP   5  -6.640   3.385  -0.258
   44    HE3  TRP   5           HE3      TRP   5  -3.824   1.860  -4.494
   45    HZ2  TRP   5           HZ2      TRP   5  -6.837   0.592  -0.767
   46    HZ3  TRP   5           HZ3      TRP   5  -4.511  -0.500  -4.192
   47    HH2  TRP   5           HH2      TRP   5  -6.023  -1.138  -2.338
   48    HA   PRO   6           HA       PRO   6  -2.825   7.254  -7.718
   49   1HB   PRO   6          2HB       PRO   6  -4.474   9.099  -8.935
   50   2HB   PRO   6          1HB       PRO   6  -4.556   7.359  -9.259
   51   1HG   PRO   6          2HG       PRO   6  -6.398   9.054  -7.633
   52   2HG   PRO   6          1HG       PRO   6  -6.732   7.547  -8.503
   53   1HD   PRO   6          2HD       PRO   6  -6.336   7.783  -5.716
   54   2HD   PRO   6          1HD       PRO   6  -6.306   6.278  -6.646
   55    H    GLU   7           H        GLU   7  -4.770   9.252  -5.711
   56    HA   GLU   7           HA       GLU   7  -3.168  11.671  -5.912
   57   1HB   GLU   7          2HB       GLU   7  -5.590  11.107  -4.790
   58   2HB   GLU   7          1HB       GLU   7  -4.556  11.114  -3.358
   59   1HG   GLU   7          2HG       GLU   7  -4.215  13.358  -3.466
   60   2HG   GLU   7          1HG       GLU   7  -4.042  13.339  -5.221
   61    H    LEU   8           H        LEU   8  -2.653   8.609  -4.527
   62    HA   LEU   8           HA       LEU   8  -1.035   9.514  -2.281
   63   1HB   LEU   8          2HB       LEU   8  -2.217   7.360  -2.202
   64   2HB   LEU   8          1HB       LEU   8  -1.296   6.796  -3.595
   65    HG   LEU   8           HG       LEU   8   0.795   7.038  -2.309
   66   1HD1  LEU   8          1HD1      LEU   8  -0.036   8.880  -0.833
   67   2HD1  LEU   8          3HD1      LEU   8  -1.039   7.704   0.014
   68   3HD1  LEU   8          2HD1      LEU   8   0.719   7.569   0.073
   69   1HD2  LEU   8          1HD2      LEU   8  -1.408   5.233  -1.664
   70   2HD2  LEU   8          3HD2      LEU   8   0.304   4.871  -1.896
   71   3HD2  LEU   8          2HD2      LEU   8  -0.277   5.418  -0.326
   72    H    VAL   9           H        VAL   9  -0.549   9.472  -5.582
   73    HA   VAL   9           HA       VAL   9   2.043   8.434  -5.915
   74    HB   VAL   9           HB       VAL   9   0.711  10.822  -7.219
   75   1HG1  VAL   9          2HG1      VAL   9   3.236  11.014  -7.228
   76   2HG1  VAL   9          1HG1      VAL   9   3.287   9.465  -8.077
   77   3HG1  VAL   9          3HG1      VAL   9   2.520  10.859  -8.837
   78   1HG2  VAL   9          3HG2      VAL   9  -0.138   8.448  -7.597
   79   2HG2  VAL   9          2HG2      VAL   9   0.338   9.323  -9.052
   80   3HG2  VAL   9          1HG2      VAL   9   1.415   8.109  -8.361
   81    H    GLY  10           H        GLY  10   4.106   9.328  -5.786
   82   1HA   GLY  10          2HA       GLY  10   5.803  10.604  -4.822
   83   2HA   GLY  10          1HA       GLY  10   4.719  11.974  -5.056
   84    H    LYS  11           H        LYS  11   3.295   9.552  -3.111
   85    HA   LYS  11           HA       LYS  11   3.685  11.287  -0.746
   86   1HB   LYS  11          2HB       LYS  11   1.437  10.137  -1.596
   87   2HB   LYS  11          1HB       LYS  11   2.045   8.787  -0.637
   88   1HG   LYS  11          2HG       LYS  11   1.455   9.815   1.276
   89   2HG   LYS  11          1HG       LYS  11   2.378  11.251   0.831
   90   1HD   LYS  11          2HD       LYS  11  -0.093  10.989  -0.713
   91   2HD   LYS  11          1HD       LYS  11  -0.389  11.102   1.021
   92   1HE   LYS  11          2HE       LYS  11   1.600  13.010   0.532
   93   2HE   LYS  11          1HE       LYS  11   0.491  13.169  -0.829
   94   1HZ   LYS  11          2HZ       LYS  11  -1.182  12.903   1.269
   95   2HZ   LYS  11          1HZ       LYS  11   0.088  13.803   1.949
   96   3HZ   LYS  11          3HZ       LYS  11  -0.721  14.384   0.576
   97    H    SER  12           H        SER  12   3.178   8.820   0.992
   98    HA   SER  12           HA       SER  12   5.783   7.436   0.689
   99   1HB   SER  12          2HB       SER  12   5.161   9.465   2.692
  100   2HB   SER  12          1HB       SER  12   5.668   7.940   3.419
  101    HG   SER  12           HG       SER  12   7.407   9.404   2.851
  102    H    VAL  13           H        VAL  13   5.904   5.478   1.991
  103    HA   VAL  13           HA       VAL  13   3.630   3.858   1.961
  104    HB   VAL  13           HB       VAL  13   5.969   3.735   3.889
  105   1HG1  VAL  13          2HG1      VAL  13   3.555   2.343   4.012
  106   2HG1  VAL  13          1HG1      VAL  13   4.645   1.228   3.190
  107   3HG1  VAL  13          3HG1      VAL  13   5.068   1.863   4.780
  108   1HG2  VAL  13          3HG2      VAL  13   6.160   3.570   1.230
  109   2HG2  VAL  13          2HG2      VAL  13   7.094   2.505   2.280
  110   3HG2  VAL  13          1HG2      VAL  13   5.606   1.922   1.533
  111    H    GLU  14           H        GLU  14   4.689   6.101   4.482
  112    HA   GLU  14           HA       GLU  14   3.138   5.367   6.655
  113   1HB   GLU  14          2HB       GLU  14   3.911   8.029   5.517
  114   2HB   GLU  14          1HB       GLU  14   2.743   7.988   6.837
  115   1HG   GLU  14          2HG       GLU  14   5.226   6.344   7.110
  116   2HG   GLU  14          1HG       GLU  14   5.357   8.090   7.325
  117    H    GLU  15           H        GLU  15   1.916   7.918   4.503
  118    HA   GLU  15           HA       GLU  15  -0.830   7.558   5.168
  119   1HB   GLU  15          2HB       GLU  15   0.388   9.492   3.898
  120   2HB   GLU  15          1HB       GLU  15   0.055   8.529   2.458
  121   1HG   GLU  15          2HG       GLU  15  -2.153   9.036   2.497
  122   2HG   GLU  15          1HG       GLU  15  -2.266   8.777   4.238
  123    H    ALA  16           H        ALA  16   1.184   5.975   2.727
  124    HA   ALA  16           HA       ALA  16  -0.951   4.813   1.223
  125   1HB   ALA  16          1HB       ALA  16   1.863   4.702   1.187
  126   2HB   ALA  16          3HB       ALA  16   1.338   3.036   1.418
  127   3HB   ALA  16          2HB       ALA  16   0.767   3.953   0.028
  128    H    LYS  17           H        LYS  17   1.169   2.754   3.221
  129    HA   LYS  17           HA       LYS  17  -0.615   0.681   3.628
  130   1HB   LYS  17          2HB       LYS  17   1.697   1.756   5.103
  131   2HB   LYS  17          1HB       LYS  17   0.571   0.845   6.111
  132   1HG   LYS  17          2HG       LYS  17   1.343  -0.303   3.459
  133   2HG   LYS  17          1HG       LYS  17   2.507  -0.393   4.781
  134   1HD   LYS  17          2HD       LYS  17  -0.092  -1.103   5.776
  135   2HD   LYS  17          1HD       LYS  17   0.257  -2.067   4.341
  136   1HE   LYS  17          2HE       LYS  17   2.422  -1.722   6.376
  137   2HE   LYS  17          1HE       LYS  17   1.107  -2.839   6.738
  138   1HZ   LYS  17          2HZ       LYS  17   1.531  -3.961   4.639
  139   2HZ   LYS  17          1HZ       LYS  17   2.806  -2.889   4.302
  140   3HZ   LYS  17          3HZ       LYS  17   2.923  -3.960   5.613
  141    H    LYS  18           H        LYS  18  -0.418   3.724   5.396
  142    HA   LYS  18           HA       LYS  18  -2.232   3.323   7.481
  143   1HB   LYS  18          2HB       LYS  18  -1.286   5.629   5.887
  144   2HB   LYS  18          1HB       LYS  18  -2.808   5.875   6.738
  145   1HG   LYS  18          2HG       LYS  18  -0.765   6.510   8.078
  146   2HG   LYS  18          1HG       LYS  18  -1.807   5.324   8.863
  147   1HD   LYS  18          2HD       LYS  18   0.086   3.935   7.211
  148   2HD   LYS  18          1HD       LYS  18   0.957   5.073   8.235
  149   1HE   LYS  18          2HE       LYS  18   0.169   4.098  10.216
  150   2HE   LYS  18          1HE       LYS  18  -1.200   3.334   9.408
  151   1HZ   LYS  18          1HZ       LYS  18   0.384   1.901   8.230
  152   2HZ   LYS  18          3HZ       LYS  18   1.660   2.595   9.104
  153   3HZ   LYS  18          2HZ       LYS  18   0.467   1.697   9.914
  154    H    VAL  19           H        VAL  19  -3.279   5.319   4.787
  155    HA   VAL  19           HA       VAL  19  -6.054   4.684   5.159
  156    HB   VAL  19           HB       VAL  19  -5.001   5.740   2.548
  157   1HG1  VAL  19          1HG1      VAL  19  -7.475   5.770   4.118
  158   2HG1  VAL  19          3HG1      VAL  19  -7.010   7.371   3.544
  159   3HG1  VAL  19          2HG1      VAL  19  -7.237   6.054   2.394
  160   1HG2  VAL  19          1HG2      VAL  19  -4.879   7.103   5.249
  161   2HG2  VAL  19          3HG2      VAL  19  -3.591   6.961   4.048
  162   3HG2  VAL  19          2HG2      VAL  19  -4.969   8.023   3.748
  163    H    ILE  20           H        ILE  20  -3.771   3.661   2.594
  164    HA   ILE  20           HA       ILE  20  -5.454   2.117   1.029
  165    HB   ILE  20           HB       ILE  20  -2.624   1.544   1.922
  166   1HG1  ILE  20          2HG1      ILE  20  -3.635   2.412  -0.789
  167   2HG1  ILE  20          1HG1      ILE  20  -3.298   3.589   0.482
  168   1HG2  ILE  20          2HG2      ILE  20  -4.512  -0.051   0.281
  169   2HG2  ILE  20          1HG2      ILE  20  -2.906   0.183  -0.413
  170   3HG2  ILE  20          3HG2      ILE  20  -3.081  -0.568   1.173
  171   1HD1  ILE  20          3HD1      ILE  20  -1.087   1.813   0.411
  172   2HD1  ILE  20          2HD1      ILE  20  -1.441   2.250  -1.260
  173   3HD1  ILE  20          1HD1      ILE  20  -1.119   3.509  -0.070
  174    H    LEU  21           H        LEU  21  -4.030   1.238   4.154
  175    HA   LEU  21           HA       LEU  21  -4.543  -1.418   4.477
  176   1HB   LEU  21          2HB       LEU  21  -3.664  -0.045   6.277
  177   2HB   LEU  21          1HB       LEU  21  -5.229   0.756   6.464
  178    HG   LEU  21           HG       LEU  21  -6.277  -1.329   7.135
  179   1HD1  LEU  21          2HD1      LEU  21  -3.612  -2.477   6.326
  180   2HD1  LEU  21          1HD1      LEU  21  -4.644  -3.325   7.478
  181   3HD1  LEU  21          3HD1      LEU  21  -5.228  -2.995   5.847
  182   1HD2  LEU  21          1HD2      LEU  21  -4.431   0.051   8.635
  183   2HD2  LEU  21          3HD2      LEU  21  -5.479  -1.222   9.264
  184   3HD2  LEU  21          2HD2      LEU  21  -3.832  -1.604   8.760
  185    H    GLN  22           H        GLN  22  -7.145   0.930   4.057
  186    HA   GLN  22           HA       GLN  22  -8.991  -1.382   4.336
  187   1HB   GLN  22          2HB       GLN  22  -8.866   0.854   6.088
  188   2HB   GLN  22          1HB       GLN  22 -10.379   0.956   5.180
  189   1HG   GLN  22          2HG       GLN  22 -11.259  -0.841   6.245
  190   2HG   GLN  22          1HG       GLN  22  -9.792  -1.799   6.004
  191   1HE2  GLN  22          2HE2      GLN  22  -8.562  -1.199   9.260
  192   2HE2  GLN  22          1HE2      GLN  22  -8.316  -1.953   7.760
  193    H    ASP  23           H        ASP  23  -9.791   2.054   3.650
  194    HA   ASP  23           HA       ASP  23 -11.197   2.826   1.899
  195   1HB   ASP  23          2HB       ASP  23  -9.904   2.063  -0.359
  196   2HB   ASP  23          1HB       ASP  23  -9.321   3.345   0.704
  197    H    LYS  24           H        LYS  24 -10.175   0.156  -0.116
  198    HA   LYS  24           HA       LYS  24 -12.837  -0.714  -0.719
  199   1HB   LYS  24          2HB       LYS  24 -10.243  -1.298  -1.586
  200   2HB   LYS  24          1HB       LYS  24 -10.772  -2.804  -0.849
  201   1HG   LYS  24          2HG       LYS  24 -12.092  -3.244  -2.637
  202   2HG   LYS  24          1HG       LYS  24 -12.917  -1.698  -2.436
  203   1HD   LYS  24          2HD       LYS  24 -11.201  -0.561  -3.726
  204   2HD   LYS  24          1HD       LYS  24 -10.241  -2.037  -3.815
  205   1HE   LYS  24          2HE       LYS  24 -12.925  -1.501  -5.102
  206   2HE   LYS  24          1HE       LYS  24 -11.399  -1.882  -5.901
  207   1HZ   LYS  24          1HZ       LYS  24 -11.469  -4.049  -4.688
  208   2HZ   LYS  24          3HZ       LYS  24 -13.055  -3.674  -4.218
  209   3HZ   LYS  24          2HZ       LYS  24 -12.678  -3.852  -5.866
  210    HA   PRO  25           HA       PRO  25 -13.528  -3.412   2.737
  211   1HB   PRO  25          2HB       PRO  25 -13.552  -6.049   1.974
  212   2HB   PRO  25          1HB       PRO  25 -14.863  -4.916   1.592
  213   1HG   PRO  25          2HG       PRO  25 -12.722  -5.987  -0.175
  214   2HG   PRO  25          1HG       PRO  25 -14.364  -5.468  -0.597
  215   1HD   PRO  25          2HD       PRO  25 -12.023  -3.978  -1.013
  216   2HD   PRO  25          1HD       PRO  25 -13.667  -3.309  -1.042
  217    H    GLU  26           H        GLU  26 -11.392  -2.759   3.549
  218    HA   GLU  26           HA       GLU  26  -9.326  -3.193   4.544
  219   1HB   GLU  26          2HB       GLU  26  -9.389  -6.075   4.552
  220   2HB   GLU  26          1HB       GLU  26  -9.495  -4.949   5.899
  221   1HG   GLU  26          2HG       GLU  26 -11.974  -4.638   5.150
  222   2HG   GLU  26          1HG       GLU  26 -11.733  -6.139   4.252
  223    H    ALA  27           H        ALA  27  -8.957  -2.754   1.886
  224    HA   ALA  27           HA       ALA  27  -7.397  -5.035   0.840
  225   1HB   ALA  27          2HB       ALA  27  -8.572  -2.585  -0.289
  226   2HB   ALA  27          1HB       ALA  27  -6.935  -2.896  -0.866
  227   3HB   ALA  27          3HB       ALA  27  -8.193  -4.116  -1.084
  228    H    GLN  28           H        GLN  28  -5.389  -5.227   1.738
  229    HA   GLN  28           HA       GLN  28  -4.085  -2.887   2.931
  230   1HB   GLN  28          2HB       GLN  28  -4.099  -5.625   3.472
  231   2HB   GLN  28          1HB       GLN  28  -2.480  -5.315   2.841
  232   1HG   GLN  28          2HG       GLN  28  -2.727  -3.183   4.474
  233   2HG   GLN  28          1HG       GLN  28  -3.770  -4.317   5.329
  234   1HE2  GLN  28          2HE2      GLN  28   0.069  -4.666   6.013
  235   2HE2  GLN  28          1HE2      GLN  28  -0.774  -3.244   5.626
  236    H    ILE  29           H        ILE  29  -1.415  -3.413   2.561
  237    HA   ILE  29           HA       ILE  29  -0.940  -3.527  -0.345
  238    HB   ILE  29           HB       ILE  29  -1.534  -1.175   0.129
  239   1HG1  ILE  29          2HG1      ILE  29   1.358  -0.911  -0.312
  240   2HG1  ILE  29          1HG1      ILE  29   0.589  -2.143  -1.315
  241   1HG2  ILE  29          1HG2      ILE  29  -0.005  -1.629   2.463
  242   2HG2  ILE  29          3HG2      ILE  29   0.883  -0.434   1.518
  243   3HG2  ILE  29          2HG2      ILE  29  -0.794  -0.129   1.973
  244   1HD1  ILE  29          2HD1      ILE  29  -0.365   0.721  -1.044
  245   2HD1  ILE  29          1HD1      ILE  29   0.540   0.084  -2.412
  246   3HD1  ILE  29          3HD1      ILE  29  -1.082  -0.515  -2.076
  247    H    ILE  30           H        ILE  30   1.155  -4.089  -0.859
  248    HA   ILE  30           HA       ILE  30   2.819  -5.169   1.316
  249    HB   ILE  30           HB       ILE  30   3.237  -5.238  -1.686
  250   1HG1  ILE  30          2HG1      ILE  30   2.051  -7.454  -0.019
  251   2HG1  ILE  30          1HG1      ILE  30   1.032  -6.209  -0.746
  252   1HG2  ILE  30          3HG2      ILE  30   5.078  -5.830   0.148
  253   2HG2  ILE  30          2HG2      ILE  30   4.194  -7.357   0.183
  254   3HG2  ILE  30          1HG2      ILE  30   4.901  -6.780  -1.329
  255   1HD1  ILE  30          3HD1      ILE  30   3.022  -7.871  -2.313
  256   2HD1  ILE  30          2HD1      ILE  30   1.310  -8.271  -2.174
  257   3HD1  ILE  30          1HD1      ILE  30   1.804  -6.774  -2.964
  258    H    VAL  31           H        VAL  31   4.325  -3.793   2.220
  259    HA   VAL  31           HA       VAL  31   5.344  -1.530   0.612
  260    HB   VAL  31           HB       VAL  31   4.707  -1.110   2.952
  261   1HG1  VAL  31          3HG1      VAL  31   5.380  -3.483   3.685
  262   2HG1  VAL  31          2HG1      VAL  31   7.030  -2.871   3.760
  263   3HG1  VAL  31          1HG1      VAL  31   5.784  -2.174   4.793
  264   1HG2  VAL  31          1HG2      VAL  31   7.280  -0.559   1.761
  265   2HG2  VAL  31          3HG2      VAL  31   6.308   0.471   2.811
  266   3HG2  VAL  31          2HG2      VAL  31   7.446  -0.678   3.512
  267    H    LEU  32           H        LEU  32   7.008  -2.053  -0.768
  268    HA   LEU  32           HA       LEU  32   9.301  -3.503   0.449
  269   1HB   LEU  32          2HB       LEU  32   9.553  -5.005  -1.384
  270   2HB   LEU  32          1HB       LEU  32   7.865  -5.104  -0.902
  271    HG   LEU  32           HG       LEU  32   8.444  -3.071  -2.953
  272   1HD1  LEU  32          1HD1      LEU  32   9.827  -5.466  -3.175
  273   2HD1  LEU  32          3HD1      LEU  32   8.369  -5.769  -4.115
  274   3HD1  LEU  32          2HD1      LEU  32   9.415  -4.406  -4.519
  275   1HD2  LEU  32          2HD2      LEU  32   6.308  -4.745  -2.013
  276   2HD2  LEU  32          1HD2      LEU  32   6.221  -3.437  -3.187
  277   3HD2  LEU  32          3HD2      LEU  32   6.562  -5.082  -3.723
  278    HA   PRO  33           HA       PRO  33  11.671  -0.444  -1.589
  279   1HB   PRO  33          2HB       PRO  33  14.096  -1.719  -1.481
  280   2HB   PRO  33          1HB       PRO  33  13.319  -0.992  -0.064
  281   1HG   PRO  33          2HG       PRO  33  13.599  -3.870  -0.776
  282   2HG   PRO  33          1HG       PRO  33  13.403  -3.122   0.819
  283   1HD   PRO  33          2HD       PRO  33  11.371  -4.408  -0.695
  284   2HD   PRO  33          1HD       PRO  33  11.137  -3.426   0.767
  285    H    VAL  34           H        VAL  34  10.257  -1.711  -3.545
  286    HA   VAL  34           HA       VAL  34  10.304  -2.477  -5.752
  287    HB   VAL  34           HB       VAL  34  12.982  -1.041  -5.649
  288   1HG1  VAL  34          1HG1      VAL  34  11.860  -2.625  -7.692
  289   2HG1  VAL  34          3HG1      VAL  34  11.568  -0.954  -8.175
  290   3HG1  VAL  34          2HG1      VAL  34  13.211  -1.501  -7.842
  291   1HG2  VAL  34          2HG2      VAL  34  10.861   0.231  -4.976
  292   2HG2  VAL  34          1HG2      VAL  34  11.797   0.922  -6.302
  293   3HG2  VAL  34          3HG2      VAL  34  10.326   0.011  -6.642
  294    H    GLY  35           H        GLY  35  13.815  -2.663  -5.601
  295   1HA   GLY  35          2HA       GLY  35  15.205  -4.520  -5.985
  296   2HA   GLY  35          1HA       GLY  35  14.263  -5.250  -4.683
  297    H    THR  36           H        THR  36  14.891  -7.164  -6.246
  298    HA   THR  36           HA       THR  36  13.284  -7.408  -8.663
  299    HB   THR  36           HB       THR  36  14.148  -9.959  -7.613
  300    HG1  THR  36           HG1      THR  36  16.466  -9.166  -7.830
  301   1HG2  THR  36          3HG2      THR  36  15.039  -8.204  -9.915
  302   2HG2  THR  36          2HG2      THR  36  15.569  -9.869  -9.679
  303   3HG2  THR  36          1HG2      THR  36  13.867  -9.520  -9.978
  304    H    ILE  37           H        ILE  37  12.172  -9.944  -8.490
  305    HA   ILE  37           HA       ILE  37  10.090  -9.540  -6.376
  306    HB   ILE  37           HB       ILE  37   9.939 -10.777  -9.139
  307   1HG1  ILE  37          2HG1      ILE  37   7.938  -9.068  -9.105
  308   2HG1  ILE  37          1HG1      ILE  37   8.828  -8.345  -7.763
  309   1HG2  ILE  37          3HG2      ILE  37   8.241 -11.166  -6.726
  310   2HG2  ILE  37          2HG2      ILE  37   7.397 -10.897  -8.251
  311   3HG2  ILE  37          1HG2      ILE  37   8.521 -12.247  -8.091
  312   1HD1  ILE  37          2HD1      ILE  37  10.269  -9.017 -10.313
  313   2HD1  ILE  37          1HD1      ILE  37   9.319  -7.534 -10.209
  314   3HD1  ILE  37          3HD1      ILE  37  10.664  -7.799  -9.101
  315    H    VAL  38           H        VAL  38  11.967 -10.756  -5.155
  316    HA   VAL  38           HA       VAL  38  12.650 -12.731  -4.091
  317    HB   VAL  38           HB       VAL  38   9.974 -13.610  -5.204
  318   1HG1  VAL  38          1HG1      VAL  38  11.875 -14.995  -3.293
  319   2HG1  VAL  38          3HG1      VAL  38  10.180 -15.443  -3.481
  320   3HG1  VAL  38          2HG1      VAL  38  11.291 -15.605  -4.841
  321   1HG2  VAL  38          2HG2      VAL  38  10.795 -11.957  -3.015
  322   2HG2  VAL  38          1HG2      VAL  38   9.160 -12.446  -3.457
  323   3HG2  VAL  38          3HG2      VAL  38  10.111 -13.442  -2.355
  324    H    THR  39           H        THR  39  14.407 -12.881  -5.679
  325    HA   THR  39           HA       THR  39  15.575 -13.877  -7.473
  326    HB   THR  39           HB       THR  39  15.890 -15.602  -5.862
  327    HG1  THR  39           HG1      THR  39  15.955 -16.133  -8.244
  328   1HG2  THR  39          2HG2      THR  39  13.052 -16.470  -6.481
  329   2HG2  THR  39          1HG2      THR  39  14.162 -17.320  -5.407
  330   3HG2  THR  39          3HG2      THR  39  13.602 -15.701  -4.992
  331   1H    GLU  41          1H        GLU  41 -10.648 -11.908 -10.331
  332   2H    GLU  41          3H        GLU  41  -9.117 -12.420 -10.854
  333   3H    GLU  41          2H        GLU  41 -10.246 -13.558 -10.292
  334    HA   GLU  41           HA       GLU  41  -9.014 -13.390  -8.418
  335   1HB   GLU  41          2HB       GLU  41  -7.899 -11.234  -9.812
  336   2HB   GLU  41          1HB       GLU  41  -8.481 -10.532  -8.302
  337   1HG   GLU  41          2HG       GLU  41  -6.946 -11.645  -7.049
  338   2HG   GLU  41          1HG       GLU  41  -7.125 -13.130  -7.983
  339    H    TYR  42           H        TYR  42  -9.179 -11.452  -6.428
  340    HA   TYR  42           HA       TYR  42 -12.072 -10.745  -6.306
  341   1HB   TYR  42          2HB       TYR  42 -12.285 -11.693  -4.104
  342   2HB   TYR  42          1HB       TYR  42 -11.574 -12.935  -5.134
  343    HD1  TYR  42           HD1      TYR  42  -8.907 -12.866  -5.260
  344    HD2  TYR  42           HD2      TYR  42 -11.265 -11.258  -2.052
  345    HE1  TYR  42           HE1      TYR  42  -6.947 -12.997  -3.755
  346    HE2  TYR  42           HE2      TYR  42  -9.305 -11.392  -0.547
  347    HH   TYR  42           HH       TYR  42  -6.205 -11.743  -1.592
  348    H    ARG  43           H        ARG  43 -11.661 -10.004  -3.440
  349    HA   ARG  43           HA       ARG  43 -10.491  -7.336  -3.947
  350   1HB   ARG  43          2HB       ARG  43 -11.544  -6.663  -1.925
  351   2HB   ARG  43          1HB       ARG  43 -12.691  -7.763  -2.687
  352   1HG   ARG  43          2HG       ARG  43 -11.295  -9.560  -1.256
  353   2HG   ARG  43          1HG       ARG  43 -11.041  -8.146  -0.229
  354   1HD   ARG  43          2HD       ARG  43 -13.043  -9.058   0.612
  355   2HD   ARG  43          1HD       ARG  43 -13.611  -7.794  -0.479
  356    HE   ARG  43           HE       ARG  43 -13.364 -10.534  -1.584
  357   1HH1  ARG  43          2HH1      ARG  43 -15.529  -9.147   0.481
  358   2HH1  ARG  43          1HH1      ARG  43 -16.890  -9.190  -0.590
  359   1HH2  ARG  43          1HH2      ARG  43 -15.012 -10.069  -3.368
  360   2HH2  ARG  43          2HH2      ARG  43 -16.597  -9.708  -2.769
  361    H    ILE  44           H        ILE  44  -8.462  -9.146  -4.095
  362    HA   ILE  44           HA       ILE  44  -7.146 -10.060  -1.845
  363    HB   ILE  44           HB       ILE  44  -6.142 -10.278  -4.065
  364   1HG1  ILE  44          2HG1      ILE  44  -3.985  -8.704  -2.918
  365   2HG1  ILE  44          1HG1      ILE  44  -4.821  -9.628  -1.667
  366   1HG2  ILE  44          2HG2      ILE  44  -6.851  -7.883  -4.714
  367   2HG2  ILE  44          1HG2      ILE  44  -5.384  -7.356  -3.889
  368   3HG2  ILE  44          3HG2      ILE  44  -5.274  -8.428  -5.285
  369   1HD1  ILE  44          3HD1      ILE  44  -4.483 -11.276  -4.006
  370   2HD1  ILE  44          2HD1      ILE  44  -2.925 -10.591  -3.545
  371   3HD1  ILE  44          1HD1      ILE  44  -3.855 -11.531  -2.378
  372    H    ASP  45           H        ASP  45  -5.867  -9.139  -0.217
  373    HA   ASP  45           HA       ASP  45  -6.272  -6.213   0.079
  374   1HB   ASP  45          2HB       ASP  45  -6.457  -6.534   2.385
  375   2HB   ASP  45          1HB       ASP  45  -7.150  -8.026   1.756
  376    H    ARG  46           H        ARG  46  -4.221  -6.916  -1.597
  377    HA   ARG  46           HA       ARG  46  -1.894  -5.882  -0.099
  378   1HB   ARG  46          2HB       ARG  46  -2.140  -8.656  -0.973
  379   2HB   ARG  46          1HB       ARG  46  -0.741  -7.860  -1.696
  380   1HG   ARG  46          2HG       ARG  46   0.031  -7.140   0.505
  381   2HG   ARG  46          1HG       ARG  46  -1.398  -7.843   1.262
  382   1HD   ARG  46          2HD       ARG  46  -0.720 -10.080   0.406
  383   2HD   ARG  46          1HD       ARG  46   0.750  -9.358  -0.250
  384    HE   ARG  46           HE       ARG  46   0.354  -8.884   2.617
  385   1HH1  ARG  46          1HH2      ARG  46   2.847  -9.334   0.696
  386   2HH1  ARG  46          2HH2      ARG  46   3.524 -10.732   1.463
  387   1HH2  ARG  46          2HH1      ARG  46   0.709 -11.368   3.385
  388   2HH2  ARG  46          1HH1      ARG  46   2.314 -11.883   2.986
  389    H    VAL  47           H        VAL  47  -0.379  -4.852  -1.491
  390    HA   VAL  47           HA       VAL  47  -0.896  -4.838  -4.401
  391    HB   VAL  47           HB       VAL  47  -1.171  -2.376  -2.665
  392   1HG1  VAL  47          1HG1      VAL  47  -0.829  -2.777  -5.632
  393   2HG1  VAL  47          3HG1      VAL  47  -1.693  -1.380  -5.000
  394   3HG1  VAL  47          2HG1      VAL  47  -0.003  -1.636  -4.573
  395   1HG2  VAL  47          2HG2      VAL  47  -3.071  -3.806  -4.551
  396   2HG2  VAL  47          1HG2      VAL  47  -3.184  -3.784  -2.791
  397   3HG2  VAL  47          3HG2      VAL  47  -3.420  -2.296  -3.708
  398    H    ARG  48           H        ARG  48   1.078  -4.784  -5.413
  399    HA   ARG  48           HA       ARG  48   3.532  -4.658  -4.041
  400   1HB   ARG  48          2HB       ARG  48   2.844  -4.049  -6.915
  401   2HB   ARG  48          1HB       ARG  48   4.506  -4.000  -6.319
  402   1HG   ARG  48          2HG       ARG  48   2.623  -6.381  -6.183
  403   2HG   ARG  48          1HG       ARG  48   4.017  -6.220  -7.251
  404   1HD   ARG  48          2HD       ARG  48   5.397  -5.883  -5.091
  405   2HD   ARG  48          1HD       ARG  48   3.987  -6.523  -4.244
  406    HE   ARG  48           HE       ARG  48   4.572  -8.321  -6.346
  407   1HH1  ARG  48          2HH1      ARG  48   7.392  -7.909  -5.794
  408   2HH1  ARG  48          1HH1      ARG  48   7.710  -8.958  -4.453
  409   1HH2  ARG  48          1HH2      ARG  48   4.365  -9.328  -3.611
  410   2HH2  ARG  48          2HH2      ARG  48   5.995  -9.759  -3.214
  411    H    LEU  49           H        LEU  49   3.451  -2.851  -2.581
  412    HA   LEU  49           HA       LEU  49   3.409  -0.165  -3.811
  413   1HB   LEU  49          2HB       LEU  49   2.203  -0.187  -1.773
  414   2HB   LEU  49          1HB       LEU  49   3.452  -1.099  -0.937
  415    HG   LEU  49           HG       LEU  49   4.934   0.770  -0.912
  416   1HD1  LEU  49          2HD1      LEU  49   2.974   2.066  -2.834
  417   2HD1  LEU  49          1HD1      LEU  49   4.335   2.906  -2.092
  418   3HD1  LEU  49          3HD1      LEU  49   4.626   1.562  -3.199
  419   1HD2  LEU  49          3HD2      LEU  49   2.237   0.997   0.088
  420   2HD2  LEU  49          2HD2      LEU  49   3.730   1.617   0.795
  421   3HD2  LEU  49          1HD2      LEU  49   2.830   2.596  -0.363
  422    H    PHE  50           H        PHE  50   5.319  -0.334  -4.982
  423    HA   PHE  50           HA       PHE  50   7.875  -1.008  -3.795
  424   1HB   PHE  50          2HB       PHE  50   6.876   0.208  -6.348
  425   2HB   PHE  50          1HB       PHE  50   8.601   0.315  -5.976
  426    HD1  PHE  50           HD1      PHE  50   7.186  -2.590  -4.475
  427    HD2  PHE  50           HD2      PHE  50   8.585  -1.040  -8.227
  428    HE1  PHE  50           HE1      PHE  50   7.395  -4.893  -5.357
  429    HE2  PHE  50           HE2      PHE  50   8.815  -3.347  -9.095
  430    HZ   PHE  50           HZ       PHE  50   8.217  -5.276  -7.659
  431    H    VAL  51           H        VAL  51   9.507   0.532  -3.117
  432    HA   VAL  51           HA       VAL  51   8.453   3.309  -2.767
  433    HB   VAL  51           HB       VAL  51   9.752   3.434  -0.666
  434   1HG1  VAL  51          1HG1      VAL  51   7.348   2.094  -1.115
  435   2HG1  VAL  51          3HG1      VAL  51   8.262   0.988  -0.090
  436   3HG1  VAL  51          2HG1      VAL  51   7.955   2.640   0.449
  437   1HG2  VAL  51          2HG2      VAL  51  11.198   1.371  -1.674
  438   2HG2  VAL  51          1HG2      VAL  51  11.149   1.763   0.045
  439   3HG2  VAL  51          3HG2      VAL  51  10.115   0.486  -0.599
  440    H    ASP  52           H        ASP  52  10.246   4.930  -2.479
  441    HA   ASP  52           HA       ASP  52  12.329   4.373  -4.501
  442   1HB   ASP  52          2HB       ASP  52  12.466   6.675  -4.832
  443   2HB   ASP  52          1HB       ASP  52  10.788   6.512  -4.326
  444    H    LYS  53           H        LYS  53  14.094   6.437  -3.366
  445    HA   LYS  53           HA       LYS  53  15.658   4.733  -1.617
  446   1HB   LYS  53          2HB       LYS  53  16.027   7.676  -2.174
  447   2HB   LYS  53          1HB       LYS  53  17.274   6.491  -1.773
  448   1HG   LYS  53          2HG       LYS  53  15.612   5.973  -4.211
  449   2HG   LYS  53          1HG       LYS  53  16.808   7.266  -4.302
  450   1HD   LYS  53          2HD       LYS  53  18.460   5.756  -4.535
  451   2HD   LYS  53          1HD       LYS  53  18.016   5.020  -2.995
  452   1HE   LYS  53          2HE       LYS  53  17.582   3.206  -4.323
  453   2HE   LYS  53          1HE       LYS  53  16.039   4.030  -4.548
  454   1HZ   LYS  53          2HZ       LYS  53  16.948   5.099  -6.521
  455   2HZ   LYS  53          1HZ       LYS  53  18.417   4.273  -6.311
  456   3HZ   LYS  53          3HZ       LYS  53  17.001   3.408  -6.665
  457    H    LEU  54           H        LEU  54  13.861   7.791  -1.272
  458    HA   LEU  54           HA       LEU  54  14.080   7.584   1.692
  459   1HB   LEU  54          2HB       LEU  54  13.800   9.765  -0.259
  460   2HB   LEU  54          1HB       LEU  54  12.745   9.927   1.144
  461    HG   LEU  54           HG       LEU  54  15.052  10.972   1.402
  462   1HD1  LEU  54          3HD1      LEU  54  13.502  10.140   3.282
  463   2HD1  LEU  54          2HD1      LEU  54  14.570   8.740   3.379
  464   3HD1  LEU  54          1HD1      LEU  54  15.205  10.356   3.689
  465   1HD2  LEU  54          1HD2      LEU  54  16.004   8.748   0.256
  466   2HD2  LEU  54          3HD2      LEU  54  16.961   9.669   1.415
  467   3HD2  LEU  54          2HD2      LEU  54  16.097   8.223   1.937
  468    H    ASP  55           H        ASP  55  12.319   5.788   0.234
  469    HA   ASP  55           HA       ASP  55  10.094   5.056   0.217
  470   1HB   ASP  55          2HB       ASP  55   9.001   6.533   2.412
  471   2HB   ASP  55          1HB       ASP  55   9.466   4.831   2.362
  472    H    ASN  56           H        ASN  56  10.069   6.599  -1.736
  473    HA   ASN  56           HA       ASN  56   7.966   8.678  -1.311
  474   1HB   ASN  56          2HB       ASN  56  10.066   9.736  -1.997
  475   2HB   ASN  56          1HB       ASN  56  10.201   8.619  -3.358
  476   1HD2  ASN  56          2HD2      ASN  56   8.619  11.185  -5.239
  477   2HD2  ASN  56          1HD2      ASN  56  10.072  10.356  -4.951
  478    H    ILE  57           H        ILE  57   6.383   7.099  -1.633
  479    HA   ILE  57           HA       ILE  57   5.946   5.137  -3.412
  480    HB   ILE  57           HB       ILE  57   3.870   7.325  -3.245
  481   1HG1  ILE  57          2HG1      ILE  57   4.773   5.334  -1.136
  482   2HG1  ILE  57          1HG1      ILE  57   4.673   7.086  -0.980
  483   1HG2  ILE  57          3HG2      ILE  57   3.993   4.582  -4.146
  484   2HG2  ILE  57          2HG2      ILE  57   2.853   4.719  -2.808
  485   3HG2  ILE  57          1HG2      ILE  57   2.650   5.720  -4.245
  486   1HD1  ILE  57          3HD1      ILE  57   2.294   5.270  -1.446
  487   2HD1  ILE  57          2HD1      ILE  57   2.771   5.917   0.124
  488   3HD1  ILE  57          1HD1      ILE  57   2.249   7.009  -1.157
  489    H    ALA  58           H        ALA  58   7.265   5.422  -5.262
  490    HA   ALA  58           HA       ALA  58   6.511   7.516  -7.208
  491   1HB   ALA  58          1HB       ALA  58   8.920   6.498  -6.681
  492   2HB   ALA  58          3HB       ALA  58   8.415   5.303  -7.876
  493   3HB   ALA  58          2HB       ALA  58   8.487   7.010  -8.313
  494    H    GLN  59           H        GLN  59   5.400   4.504  -6.318
  495    HA   GLN  59           HA       GLN  59   4.248   4.031  -9.035
  496   1HB   GLN  59          2HB       GLN  59   5.869   2.260  -8.540
  497   2HB   GLN  59          1HB       GLN  59   5.105   1.968  -6.976
  498   1HG   GLN  59          2HG       GLN  59   3.282   1.878  -9.306
  499   2HG   GLN  59          1HG       GLN  59   4.480   0.585  -9.238
  500   1HE2  GLN  59          1HE2      GLN  59   2.535  -0.849  -8.795
  501   2HE2  GLN  59          2HE2      GLN  59   1.952  -0.950  -7.204
  502    H    VAL  60           H        VAL  60   2.013   3.913  -9.029
  503    HA   VAL  60           HA       VAL  60   0.680   4.309  -6.432
  504    HB   VAL  60           HB       VAL  60  -0.393   4.339  -9.260
  505   1HG1  VAL  60          3HG1      VAL  60  -2.006   3.652  -7.372
  506   2HG1  VAL  60          2HG1      VAL  60  -1.797   5.291  -6.756
  507   3HG1  VAL  60          1HG1      VAL  60  -2.484   5.034  -8.360
  508   1HG2  VAL  60          3HG2      VAL  60   0.211   6.532  -7.252
  509   2HG2  VAL  60          2HG2      VAL  60   1.106   6.207  -8.737
  510   3HG2  VAL  60          1HG2      VAL  60  -0.561   6.780  -8.819
  511    HA   PRO  61           HA       PRO  61  -0.631   0.040  -6.350
  512   1HB   PRO  61          2HB       PRO  61  -1.924   0.242  -3.942
  513   2HB   PRO  61          1HB       PRO  61  -0.166   0.113  -4.085
  514   1HG   PRO  61          2HG       PRO  61  -1.809   2.486  -3.370
  515   2HG   PRO  61          1HG       PRO  61  -0.113   2.143  -2.990
  516   1HD   PRO  61          2HD       PRO  61  -1.083   3.869  -5.048
  517   2HD   PRO  61          1HD       PRO  61   0.600   3.363  -4.787
  518    H    ARG  62           H        ARG  62  -2.843  -1.036  -6.344
  519    HA   ARG  62           HA       ARG  62  -5.102   0.861  -6.610
  520   1HB   ARG  62          2HB       ARG  62  -3.818  -0.441  -8.791
  521   2HB   ARG  62          1HB       ARG  62  -5.427  -1.139  -8.604
  522   1HG   ARG  62          2HG       ARG  62  -5.736   0.738 -10.027
  523   2HG   ARG  62          1HG       ARG  62  -6.284   1.274  -8.439
  524   1HD   ARG  62          2HD       ARG  62  -4.738   2.887  -9.693
  525   2HD   ARG  62          1HD       ARG  62  -4.244   2.491  -8.047
  526    HE   ARG  62           HE       ARG  62  -2.429   1.210  -8.938
  527   1HH1  ARG  62          2HH1      ARG  62  -3.726  -0.171 -11.201
  528   2HH1  ARG  62          1HH1      ARG  62  -3.045   0.622 -12.583
  529   1HH2  ARG  62          1HH2      ARG  62  -1.907   3.360 -10.784
  530   2HH2  ARG  62          2HH2      ARG  62  -2.012   2.620 -12.346
  531    H    VAL  63           H        VAL  63  -4.203  -2.553  -6.658
  532    HA   VAL  63           HA       VAL  63  -5.099  -4.343  -5.414
  533    HB   VAL  63           HB       VAL  63  -5.855  -2.010  -3.953
  534   1HG1  VAL  63          2HG1      VAL  63  -8.190  -2.517  -4.675
  535   2HG1  VAL  63          1HG1      VAL  63  -8.029  -4.122  -3.964
  536   3HG1  VAL  63          3HG1      VAL  63  -7.965  -2.693  -2.931
  537   1HG2  VAL  63          3HG2      VAL  63  -4.836  -4.604  -3.548
  538   2HG2  VAL  63          2HG2      VAL  63  -4.947  -3.302  -2.364
  539   3HG2  VAL  63          1HG2      VAL  63  -6.257  -4.476  -2.512
  540    H    GLY  64           H        GLY  64  -6.664  -2.494  -7.685
  541   1HA   GLY  64          2HA       GLY  64  -9.112  -4.183  -7.688
  542   2HA   GLY  64          1HA       GLY  64  -8.895  -2.703  -8.625
   
  No H/Q in entry =         542
  Start of MODEL           2
 Raw file had  552 H/Q atoms
  Start of MODEL    2
    1   1H    MET   1          3H        MET   1 -13.823   4.847  -2.955
    2   2H    MET   1          2H        MET   1 -15.384   4.179  -2.884
    3   3H    MET   1          1H        MET   1 -14.245   3.811  -1.679
    4    HA   MET   1           HA       MET   1 -14.048   1.933  -2.912
    5   1HB   MET   1          2HB       MET   1 -15.016   3.737  -5.094
    6   2HB   MET   1          1HB       MET   1 -14.126   2.284  -5.553
    7   1HG   MET   1          2HG       MET   1 -16.179   1.296  -5.410
    8   2HG   MET   1          1HG       MET   1 -15.813   1.254  -3.685
    9   1HE   MET   1          3HE       MET   1 -18.098   1.294  -5.750
   10   2HE   MET   1          2HE       MET   1 -19.459   1.974  -4.861
   11   3HE   MET   1          1HE       MET   1 -18.738   2.884  -6.186
   12    H    LYS   2           H        LYS   2 -12.054   3.821  -2.050
   13    HA   LYS   2           HA       LYS   2 -10.082   4.484  -3.938
   14   1HB   LYS   2          2HB       LYS   2 -10.114   3.910  -1.027
   15   2HB   LYS   2          1HB       LYS   2  -8.542   3.779  -1.818
   16   1HG   LYS   2          2HG       LYS   2 -10.388   6.176  -2.031
   17   2HG   LYS   2          1HG       LYS   2  -8.988   6.080  -0.964
   18   1HD   LYS   2          2HD       LYS   2  -7.681   6.762  -2.662
   19   2HD   LYS   2          1HD       LYS   2  -8.104   5.295  -3.546
   20   1HE   LYS   2          2HE       LYS   2 -10.234   6.505  -4.263
   21   2HE   LYS   2          1HE       LYS   2  -9.498   7.977  -3.629
   22   1HZ   LYS   2          3HZ       LYS   2  -8.222   6.218  -5.651
   23   2HZ   LYS   2          2HZ       LYS   2  -9.113   7.614  -6.031
   24   3HZ   LYS   2          1HZ       LYS   2  -7.680   7.739  -5.131
   25    H    THR   3           H        THR   3  -9.683   2.949  -5.525
   26    HA   THR   3           HA       THR   3  -8.496   0.371  -4.573
   27    HB   THR   3           HB       THR   3  -9.474   0.022  -7.212
   28    HG1  THR   3           HG1      THR   3 -11.045   1.423  -7.196
   29   1HG2  THR   3          3HG2      THR   3 -10.239  -0.957  -4.476
   30   2HG2  THR   3          2HG2      THR   3 -11.141  -1.476  -5.898
   31   3HG2  THR   3          1HG2      THR   3  -9.419  -1.829  -5.766
   32    H    GLU   4           H        GLU   4  -7.319   3.054  -5.387
   33    HA   GLU   4           HA       GLU   4  -5.371   1.931  -7.311
   34   1HB   GLU   4          2HB       GLU   4  -7.207   4.242  -7.827
   35   2HB   GLU   4          1HB       GLU   4  -5.570   4.305  -8.481
   36   1HG   GLU   4          2HG       GLU   4  -5.933   2.550  -9.933
   37   2HG   GLU   4          1HG       GLU   4  -7.093   1.765  -8.864
   38    H    TRP   5           H        TRP   5  -6.282   4.774  -5.359
   39    HA   TRP   5           HA       TRP   5  -4.922   6.202  -4.075
   40   1HB   TRP   5          2HB       TRP   5  -2.862   4.000  -4.346
   41   2HB   TRP   5          1HB       TRP   5  -2.910   5.262  -3.111
   42    HD1  TRP   5           HD1      TRP   5  -5.220   5.184  -1.508
   43    HE1  TRP   5           HE1      TRP   5  -6.377   3.096  -0.527
   44    HE3  TRP   5           HE3      TRP   5  -3.387   1.596  -4.654
   45    HZ2  TRP   5           HZ2      TRP   5  -6.502   0.275  -1.013
   46    HZ3  TRP   5           HZ3      TRP   5  -4.033  -0.774  -4.365
   47    HH2  TRP   5           HH2      TRP   5  -5.583  -1.440  -2.553
   48    HA   PRO   6           HA       PRO   6  -2.242   6.789  -7.941
   49   1HB   PRO   6          2HB       PRO   6  -3.864   8.432  -9.443
   50   2HB   PRO   6          1HB       PRO   6  -3.814   6.673  -9.649
   51   1HG   PRO   6          2HG       PRO   6  -5.891   8.351  -8.306
   52   2HG   PRO   6          1HG       PRO   6  -6.070   6.794  -9.133
   53   1HD   PRO   6          2HD       PRO   6  -5.984   7.142  -6.345
   54   2HD   PRO   6          1HD       PRO   6  -5.717   5.616  -7.202
   55    H    GLU   7           H        GLU   7  -4.527   8.746  -6.273
   56    HA   GLU   7           HA       GLU   7  -3.070  11.254  -6.473
   57   1HB   GLU   7          2HB       GLU   7  -5.473  10.260  -5.143
   58   2HB   GLU   7          1HB       GLU   7  -4.540  11.342  -4.107
   59   1HG   GLU   7          2HG       GLU   7  -4.678  13.129  -5.653
   60   2HG   GLU   7          1HG       GLU   7  -5.141  12.060  -6.977
   61    H    LEU   8           H        LEU   8  -2.592   8.331  -4.786
   62    HA   LEU   8           HA       LEU   8  -1.239   9.548  -2.495
   63   1HB   LEU   8          2HB       LEU   8  -2.457   7.378  -2.314
   64   2HB   LEU   8          1HB       LEU   8  -1.279   6.660  -3.412
   65    HG   LEU   8           HG       LEU   8   0.534   7.265  -1.820
   66   1HD1  LEU   8          3HD1      LEU   8  -1.799   8.126  -0.082
   67   2HD1  LEU   8          2HD1      LEU   8  -0.126   7.988   0.464
   68   3HD1  LEU   8          1HD1      LEU   8  -0.562   9.185  -0.757
   69   1HD2  LEU   8          2HD2      LEU   8  -1.091   5.122  -1.728
   70   2HD2  LEU   8          1HD2      LEU   8   0.215   5.361  -0.570
   71   3HD2  LEU   8          3HD2      LEU   8  -1.437   5.796  -0.135
   72    H    VAL   9           H        VAL   9  -0.448   9.098  -5.696
   73    HA   VAL   9           HA       VAL   9   2.167   8.063  -5.660
   74    HB   VAL   9           HB       VAL   9   0.861  10.180  -7.371
   75   1HG1  VAL   9          1HG1      VAL   9   3.355  10.640  -7.118
   76   2HG1  VAL   9          3HG1      VAL   9   3.639   9.043  -7.817
   77   3HG1  VAL   9          2HG1      VAL   9   2.830  10.287  -8.767
   78   1HG2  VAL   9          1HG2      VAL   9   1.761   7.314  -7.759
   79   2HG2  VAL   9          3HG2      VAL   9   0.115   7.946  -7.829
   80   3HG2  VAL   9          2HG2      VAL   9   1.271   8.351  -9.098
   81    H    GLY  10           H        GLY  10   4.217   9.091  -5.501
   82   1HA   GLY  10          2HA       GLY  10   5.762  10.612  -4.635
   83   2HA   GLY  10          1HA       GLY  10   4.522  11.847  -4.831
   84    H    LYS  11           H        LYS  11   3.226   9.375  -2.942
   85    HA   LYS  11           HA       LYS  11   3.689  11.014  -0.510
   86   1HB   LYS  11          2HB       LYS  11   1.403   9.891  -1.448
   87   2HB   LYS  11          1HB       LYS  11   1.954   8.613  -0.363
   88   1HG   LYS  11          2HG       LYS  11   0.642  10.021   1.020
   89   2HG   LYS  11          1HG       LYS  11   2.305  10.495   1.371
   90   1HD   LYS  11          2HD       LYS  11   1.622  12.078  -0.812
   91   2HD   LYS  11          1HD       LYS  11   0.152  12.057   0.164
   92   1HE   LYS  11          2HE       LYS  11   1.493  13.889   0.966
   93   2HE   LYS  11          1HE       LYS  11   1.601  12.607   2.172
   94   1HZ   LYS  11          3HZ       LYS  11   3.581  12.878  -0.008
   95   2HZ   LYS  11          2HZ       LYS  11   3.754  13.699   1.470
   96   3HZ   LYS  11          1HZ       LYS  11   3.720  12.000   1.437
   97    H    SER  12           H        SER  12   3.088   8.582   1.184
   98    HA   SER  12           HA       SER  12   5.575   7.012   0.802
   99   1HB   SER  12          2HB       SER  12   4.934   8.682   3.239
  100   2HB   SER  12          1HB       SER  12   6.067   7.331   3.290
  101    HG   SER  12           HG       SER  12   7.219   9.183   2.829
  102    H    VAL  13           H        VAL  13   5.649   5.183   2.462
  103    HA   VAL  13           HA       VAL  13   3.345   3.578   2.281
  104    HB   VAL  13           HB       VAL  13   5.563   3.508   4.347
  105   1HG1  VAL  13          1HG1      VAL  13   3.098   2.084   4.252
  106   2HG1  VAL  13          3HG1      VAL  13   4.375   0.956   3.797
  107   3HG1  VAL  13          2HG1      VAL  13   4.463   1.813   5.336
  108   1HG2  VAL  13          3HG2      VAL  13   6.170   3.267   1.894
  109   2HG2  VAL  13          2HG2      VAL  13   6.584   1.876   2.896
  110   3HG2  VAL  13          1HG2      VAL  13   5.158   1.823   1.859
  111    H    GLU  14           H        GLU  14   4.281   5.895   4.787
  112    HA   GLU  14           HA       GLU  14   2.575   5.270   6.872
  113   1HB   GLU  14          2HB       GLU  14   2.195   7.923   6.892
  114   2HB   GLU  14          1HB       GLU  14   3.739   7.204   7.349
  115   1HG   GLU  14          2HG       GLU  14   3.401   7.657   4.451
  116   2HG   GLU  14          1HG       GLU  14   3.458   9.126   5.426
  117    H    GLU  15           H        GLU  15   1.531   7.728   4.497
  118    HA   GLU  15           HA       GLU  15  -1.252   7.361   5.054
  119   1HB   GLU  15          2HB       GLU  15   0.369   8.778   3.022
  120   2HB   GLU  15          1HB       GLU  15  -1.259   8.334   2.507
  121   1HG   GLU  15          2HG       GLU  15  -1.237   9.392   5.223
  122   2HG   GLU  15          1HG       GLU  15  -0.581  10.548   4.065
  123    H    ALA  16           H        ALA  16   0.936   5.746   2.811
  124    HA   ALA  16           HA       ALA  16  -1.047   4.519   1.166
  125   1HB   ALA  16          1HB       ALA  16   1.789   4.327   1.527
  126   2HB   ALA  16          3HB       ALA  16   1.120   2.697   1.525
  127   3HB   ALA  16          2HB       ALA  16   0.826   3.771   0.160
  128    H    LYS  17           H        LYS  17   0.881   2.487   3.360
  129    HA   LYS  17           HA       LYS  17  -1.030   0.489   3.721
  130   1HB   LYS  17          2HB       LYS  17   1.412   1.262   4.989
  131   2HB   LYS  17          1HB       LYS  17   0.235   0.914   6.256
  132   1HG   LYS  17          2HG       LYS  17   0.574  -0.953   3.917
  133   2HG   LYS  17          1HG       LYS  17   1.640  -1.061   5.320
  134   1HD   LYS  17          2HD       LYS  17  -1.134  -0.829   6.147
  135   2HD   LYS  17          1HD       LYS  17  -0.912  -2.205   5.065
  136   1HE   LYS  17          2HE       LYS  17   1.267  -2.523   6.627
  137   2HE   LYS  17          1HE       LYS  17   0.192  -1.740   7.787
  138   1HZ   LYS  17          2HZ       LYS  17  -0.646  -4.055   6.140
  139   2HZ   LYS  17          1HZ       LYS  17   0.060  -4.233   7.675
  140   3HZ   LYS  17          3HZ       LYS  17  -1.418  -3.414   7.511
  141    H    LYS  18           H        LYS  18  -0.670   3.515   5.500
  142    HA   LYS  18           HA       LYS  18  -2.506   3.305   7.550
  143   1HB   LYS  18          2HB       LYS  18  -1.311   5.350   7.294
  144   2HB   LYS  18          1HB       LYS  18  -1.921   5.585   5.652
  145   1HG   LYS  18          2HG       LYS  18  -3.749   6.653   6.421
  146   2HG   LYS  18          1HG       LYS  18  -4.116   5.334   7.532
  147   1HD   LYS  18          2HD       LYS  18  -1.919   6.531   8.710
  148   2HD   LYS  18          1HD       LYS  18  -2.815   7.906   8.063
  149   1HE   LYS  18          2HE       LYS  18  -3.740   7.568  10.218
  150   2HE   LYS  18          1HE       LYS  18  -4.897   6.813   9.122
  151   1HZ   LYS  18          1HZ       LYS  18  -2.689   5.291  10.367
  152   2HZ   LYS  18          3HZ       LYS  18  -4.192   5.477  11.130
  153   3HZ   LYS  18          2HZ       LYS  18  -4.095   4.690   9.628
  154    H    VAL  19           H        VAL  19  -3.527   5.005   4.628
  155    HA   VAL  19           HA       VAL  19  -6.310   4.333   5.075
  156    HB   VAL  19           HB       VAL  19  -5.269   5.338   2.439
  157   1HG1  VAL  19          2HG1      VAL  19  -7.756   4.950   3.249
  158   2HG1  VAL  19          1HG1      VAL  19  -7.511   6.498   4.059
  159   3HG1  VAL  19          3HG1      VAL  19  -7.342   6.383   2.306
  160   1HG2  VAL  19          2HG2      VAL  19  -5.189   6.762   5.104
  161   2HG2  VAL  19          1HG2      VAL  19  -3.920   6.660   3.883
  162   3HG2  VAL  19          3HG2      VAL  19  -5.346   7.658   3.595
  163    H    ILE  20           H        ILE  20  -4.039   3.429   2.445
  164    HA   ILE  20           HA       ILE  20  -5.483   1.773   0.864
  165    HB   ILE  20           HB       ILE  20  -2.780   1.188   2.093
  166   1HG1  ILE  20          2HG1      ILE  20  -3.471   1.971  -0.746
  167   2HG1  ILE  20          1HG1      ILE  20  -3.216   3.182   0.513
  168   1HG2  ILE  20          2HG2      ILE  20  -4.518  -0.520   0.473
  169   2HG2  ILE  20          1HG2      ILE  20  -2.957  -0.228  -0.296
  170   3HG2  ILE  20          3HG2      ILE  20  -3.026  -0.925   1.323
  171   1HD1  ILE  20          3HD1      ILE  20  -1.055   1.454   0.815
  172   2HD1  ILE  20          2HD1      ILE  20  -1.256   1.572  -0.932
  173   3HD1  ILE  20          1HD1      ILE  20  -1.016   3.032   0.026
  174    H    LEU  21           H        LEU  21  -4.194   0.682   4.024
  175    HA   LEU  21           HA       LEU  21  -5.061  -1.912   4.184
  176   1HB   LEU  21          2HB       LEU  21  -4.007  -0.609   6.053
  177   2HB   LEU  21          1HB       LEU  21  -5.586   0.118   6.371
  178    HG   LEU  21           HG       LEU  21  -5.338  -2.873   6.230
  179   1HD1  LEU  21          1HD1      LEU  21  -4.096  -1.107   8.214
  180   2HD1  LEU  21          3HD1      LEU  21  -5.216  -2.266   8.930
  181   3HD1  LEU  21          2HD1      LEU  21  -3.865  -2.836   7.950
  182   1HD2  LEU  21          1HD2      LEU  21  -7.186  -0.821   7.406
  183   2HD2  LEU  21          3HD2      LEU  21  -7.573  -2.256   6.455
  184   3HD2  LEU  21          2HD2      LEU  21  -7.102  -2.420   8.147
  185    H    GLN  22           H        GLN  22  -7.228   0.849   4.939
  186    HA   GLN  22           HA       GLN  22  -9.460  -1.009   4.255
  187   1HB   GLN  22          2HB       GLN  22  -8.946   0.385   6.690
  188   2HB   GLN  22          1HB       GLN  22 -10.404   1.061   5.961
  189   1HG   GLN  22          2HG       GLN  22 -11.416  -1.135   5.780
  190   2HG   GLN  22          1HG       GLN  22  -9.927  -1.923   6.303
  191   1HE2  GLN  22          2HE2      GLN  22 -12.352  -1.428   9.202
  192   2HE2  GLN  22          1HE2      GLN  22 -12.581  -2.054   7.641
  193    H    ASP  23           H        ASP  23  -7.976   1.198   2.658
  194    HA   ASP  23           HA       ASP  23  -9.776   3.384   2.257
  195   1HB   ASP  23          2HB       ASP  23  -7.508   2.204   0.853
  196   2HB   ASP  23          1HB       ASP  23  -8.763   2.695  -0.283
  197    H    LYS  24           H        LYS  24  -9.398   0.381   0.423
  198    HA   LYS  24           HA       LYS  24 -12.032   0.488  -0.790
  199   1HB   LYS  24          2HB       LYS  24  -9.669  -0.912  -1.162
  200   2HB   LYS  24          1HB       LYS  24 -10.704  -2.136  -0.450
  201   1HG   LYS  24          2HG       LYS  24 -12.464  -1.424  -2.190
  202   2HG   LYS  24          1HG       LYS  24 -11.166  -0.529  -2.967
  203   1HD   LYS  24          2HD       LYS  24  -9.944  -2.487  -3.462
  204   2HD   LYS  24          1HD       LYS  24 -10.834  -3.444  -2.278
  205   1HE   LYS  24          2HE       LYS  24 -12.329  -2.195  -4.558
  206   2HE   LYS  24          1HE       LYS  24 -11.408  -3.672  -4.840
  207   1HZ   LYS  24          3HZ       LYS  24 -12.628  -4.394  -2.652
  208   2HZ   LYS  24          2HZ       LYS  24 -13.765  -3.240  -3.161
  209   3HZ   LYS  24          1HZ       LYS  24 -13.375  -4.554  -4.166
  210    HA   PRO  25           HA       PRO  25 -14.176  -1.571   2.546
  211   1HB   PRO  25          2HB       PRO  25 -14.377  -4.314   2.291
  212   2HB   PRO  25          1HB       PRO  25 -15.407  -3.156   1.431
  213   1HG   PRO  25          2HG       PRO  25 -13.088  -4.741   0.402
  214   2HG   PRO  25          1HG       PRO  25 -14.530  -4.174  -0.458
  215   1HD   PRO  25          2HD       PRO  25 -12.028  -2.996  -0.648
  216   2HD   PRO  25          1HD       PRO  25 -13.551  -2.170  -1.024
  217    H    GLU  26           H        GLU  26 -11.439  -3.729   1.785
  218    HA   GLU  26           HA       GLU  26 -10.078  -3.095   4.263
  219   1HB   GLU  26          2HB       GLU  26 -10.597  -6.020   4.145
  220   2HB   GLU  26          1HB       GLU  26 -10.367  -4.971   5.540
  221   1HG   GLU  26          2HG       GLU  26 -12.640  -4.196   5.431
  222   2HG   GLU  26          1HG       GLU  26 -12.883  -4.949   3.853
  223    H    ALA  27           H        ALA  27  -9.185  -2.793   1.748
  224    HA   ALA  27           HA       ALA  27  -7.679  -5.209   1.017
  225   1HB   ALA  27          2HB       ALA  27  -8.136  -2.529  -0.262
  226   2HB   ALA  27          1HB       ALA  27  -6.797  -3.540  -0.805
  227   3HB   ALA  27          3HB       ALA  27  -8.455  -4.138  -0.919
  228    H    GLN  28           H        GLN  28  -5.749  -5.585   1.999
  229    HA   GLN  28           HA       GLN  28  -4.331  -3.361   3.325
  230   1HB   GLN  28          2HB       GLN  28  -3.252  -6.157   3.178
  231   2HB   GLN  28          1HB       GLN  28  -3.138  -4.989   4.493
  232   1HG   GLN  28          2HG       GLN  28  -5.679  -5.229   4.725
  233   2HG   GLN  28          1HG       GLN  28  -5.531  -6.647   3.686
  234   1HE2  GLN  28          2HE2      GLN  28  -5.162  -7.622   7.334
  235   2HE2  GLN  28          1HE2      GLN  28  -6.343  -6.733   6.501
  236    H    ILE  29           H        ILE  29  -1.751  -3.615   3.034
  237    HA   ILE  29           HA       ILE  29  -1.105  -4.231   0.226
  238    HB   ILE  29           HB       ILE  29  -1.814  -1.889   0.128
  239   1HG1  ILE  29          2HG1      ILE  29   1.190  -1.820   0.042
  240   2HG1  ILE  29          1HG1      ILE  29   0.317  -2.897  -1.047
  241   1HG2  ILE  29          1HG2      ILE  29  -0.734  -1.740   2.681
  242   2HG2  ILE  29          3HG2      ILE  29   0.434  -0.854   1.701
  243   3HG2  ILE  29          2HG2      ILE  29  -1.260  -0.363   1.713
  244   1HD1  ILE  29          1HD1      ILE  29  -0.178   0.078  -0.794
  245   2HD1  ILE  29          3HD1      ILE  29   0.754  -0.686  -2.080
  246   3HD1  ILE  29          2HD1      ILE  29  -0.971  -1.015  -1.927
  247    H    ILE  30           H        ILE  30   0.974  -4.864  -0.052
  248    HA   ILE  30           HA       ILE  30   2.687  -5.091   2.353
  249    HB   ILE  30           HB       ILE  30   2.439  -6.434  -0.292
  250   1HG1  ILE  30          2HG1      ILE  30   3.515  -7.579   2.275
  251   2HG1  ILE  30          1HG1      ILE  30   1.790  -7.256   2.090
  252   1HG2  ILE  30          3HG2      ILE  30   5.103  -5.993   1.052
  253   2HG2  ILE  30          2HG2      ILE  30   4.794  -7.394   0.028
  254   3HG2  ILE  30          1HG2      ILE  30   4.681  -5.769  -0.647
  255   1HD1  ILE  30          3HD1      ILE  30   1.896  -8.596  -0.074
  256   2HD1  ILE  30          2HD1      ILE  30   3.513  -9.099   0.419
  257   3HD1  ILE  30          1HD1      ILE  30   2.116  -9.529   1.407
  258    H    VAL  31           H        VAL  31   5.073  -4.457   2.025
  259    HA   VAL  31           HA       VAL  31   5.289  -2.228   0.055
  260    HB   VAL  31           HB       VAL  31   4.899  -1.243   2.260
  261   1HG1  VAL  31          3HG1      VAL  31   7.298  -2.908   3.081
  262   2HG1  VAL  31          2HG1      VAL  31   6.551  -1.664   4.083
  263   3HG1  VAL  31          1HG1      VAL  31   5.641  -3.111   3.651
  264   1HG2  VAL  31          1HG2      VAL  31   7.409  -0.952   0.765
  265   2HG2  VAL  31          3HG2      VAL  31   6.314   0.290   1.371
  266   3HG2  VAL  31          2HG2      VAL  31   7.532  -0.409   2.438
  267    H    LEU  32           H        LEU  32   7.200  -2.180  -1.080
  268    HA   LEU  32           HA       LEU  32   9.549  -3.638  -0.044
  269   1HB   LEU  32          2HB       LEU  32   9.719  -4.681  -2.464
  270   2HB   LEU  32          1HB       LEU  32   8.793  -5.492  -1.218
  271    HG   LEU  32           HG       LEU  32   7.634  -3.640  -3.294
  272   1HD1  LEU  32          3HD1      LEU  32   7.955  -6.637  -3.062
  273   2HD1  LEU  32          2HD1      LEU  32   6.649  -5.944  -4.021
  274   3HD1  LEU  32          1HD1      LEU  32   8.328  -5.596  -4.436
  275   1HD2  LEU  32          2HD2      LEU  32   6.560  -5.040  -0.897
  276   2HD2  LEU  32          1HD2      LEU  32   5.946  -3.608  -1.724
  277   3HD2  LEU  32          3HD2      LEU  32   5.596  -5.215  -2.362
  278    HA   PRO  33           HA       PRO  33  11.677  -0.613  -2.335
  279   1HB   PRO  33          2HB       PRO  33  14.027  -1.943  -2.844
  280   2HB   PRO  33          1HB       PRO  33  13.588  -1.324  -1.243
  281   1HG   PRO  33          2HG       PRO  33  13.594  -4.136  -2.222
  282   2HG   PRO  33          1HG       PRO  33  13.765  -3.523  -0.570
  283   1HD   PRO  33          2HD       PRO  33  11.410  -4.622  -1.716
  284   2HD   PRO  33          1HD       PRO  33  11.522  -3.756  -0.169
  285    H    VAL  34           H        VAL  34  11.842   0.021  -4.503
  286    HA   VAL  34           HA       VAL  34  10.735  -1.681  -6.502
  287    HB   VAL  34           HB       VAL  34  11.410   0.066  -8.100
  288   1HG1  VAL  34          1HG1      VAL  34  10.168   0.733  -5.477
  289   2HG1  VAL  34          3HG1      VAL  34  10.609   2.088  -6.516
  290   3HG1  VAL  34          2HG1      VAL  34   9.496   0.853  -7.104
  291   1HG2  VAL  34          3HG2      VAL  34  13.574   0.376  -6.343
  292   2HG2  VAL  34          2HG2      VAL  34  13.226   1.367  -7.760
  293   3HG2  VAL  34          1HG2      VAL  34  12.642   1.863  -6.172
  294    H    GLY  35           H        GLY  35  13.834  -1.667  -5.137
  295   1HA   GLY  35          2HA       GLY  35  15.691  -2.130  -7.102
  296   2HA   GLY  35          1HA       GLY  35  15.649  -3.101  -5.633
  297    H    THR  36           H        THR  36  14.434  -5.115  -5.681
  298    HA   THR  36           HA       THR  36  14.344  -6.266  -8.421
  299    HB   THR  36           HB       THR  36  14.659  -8.378  -7.427
  300    HG1  THR  36           HG1      THR  36  14.460  -8.234  -4.913
  301   1HG2  THR  36          2HG2      THR  36  16.641  -6.931  -7.153
  302   2HG2  THR  36          1HG2      THR  36  16.031  -6.395  -5.587
  303   3HG2  THR  36          3HG2      THR  36  16.503  -8.077  -5.820
  304    H    ILE  37           H        ILE  37  12.584  -8.349  -8.065
  305    HA   ILE  37           HA       ILE  37  10.020  -7.076  -7.229
  306    HB   ILE  37           HB       ILE  37  10.620  -7.079  -9.806
  307   1HG1  ILE  37          2HG1      ILE  37   8.446  -6.418  -8.740
  308   2HG1  ILE  37          1HG1      ILE  37   8.258  -7.155 -10.329
  309   1HG2  ILE  37          2HG2      ILE  37  10.961  -9.705  -9.485
  310   2HG2  ILE  37          1HG2      ILE  37   9.227  -9.717  -9.801
  311   3HG2  ILE  37          3HG2      ILE  37  10.335  -9.030 -10.988
  312   1HD1  ILE  37          2HD1      ILE  37   7.857  -9.358  -9.164
  313   2HD1  ILE  37          1HD1      ILE  37   7.827  -8.475  -7.638
  314   3HD1  ILE  37          3HD1      ILE  37   6.612  -8.144  -8.872
  315    H    VAL  38           H        VAL  38  11.567  -8.963  -5.766
  316    HA   VAL  38           HA       VAL  38  10.586 -11.656  -6.225
  317    HB   VAL  38           HB       VAL  38  12.725 -11.069  -5.009
  318   1HG1  VAL  38          2HG1      VAL  38  11.322  -9.280  -3.638
  319   2HG1  VAL  38          1HG1      VAL  38  11.060 -10.646  -2.553
  320   3HG1  VAL  38          3HG1      VAL  38  12.700 -10.097  -2.901
  321   1HG2  VAL  38          1HG2      VAL  38  11.379 -13.279  -4.826
  322   2HG2  VAL  38          3HG2      VAL  38  12.591 -12.957  -3.586
  323   3HG2  VAL  38          2HG2      VAL  38  10.884 -12.683  -3.241
  324    H    THR  39           H        THR  39   8.838 -12.686  -5.250
  325    HA   THR  39           HA       THR  39   6.590 -11.178  -4.445
  326    HB   THR  39           HB       THR  39   6.242 -13.601  -3.154
  327    HG1  THR  39           HG1      THR  39   7.144 -14.926  -5.049
  328   1HG2  THR  39          1HG2      THR  39   5.566 -12.394  -5.757
  329   2HG2  THR  39          3HG2      THR  39   5.475 -14.155  -5.724
  330   3HG2  THR  39          2HG2      THR  39   4.524 -13.201  -4.585
  331   1H    GLU  41          2H        GLU  41 -10.905  -8.381  -9.763
  332   2H    GLU  41          1H        GLU  41 -10.455  -9.515 -10.944
  333   3H    GLU  41          3H        GLU  41 -12.096  -9.190 -10.664
  334    HA   GLU  41           HA       GLU  41 -11.641 -11.249  -9.623
  335   1HB   GLU  41          2HB       GLU  41  -9.811 -11.475  -7.994
  336   2HB   GLU  41          1HB       GLU  41  -9.181 -10.990  -9.570
  337   1HG   GLU  41          2HG       GLU  41  -8.921  -8.715  -8.864
  338   2HG   GLU  41          1HG       GLU  41  -9.854  -8.997  -7.393
  339    H    TYR  42           H        TYR  42 -11.342 -11.406  -6.885
  340    HA   TYR  42           HA       TYR  42 -13.710  -9.988  -5.971
  341   1HB   TYR  42          2HB       TYR  42 -13.074 -11.131  -3.759
  342   2HB   TYR  42          1HB       TYR  42 -13.387 -12.197  -5.121
  343    HD1  TYR  42           HD1      TYR  42 -10.524 -10.315  -3.587
  344    HD2  TYR  42           HD2      TYR  42 -11.844 -13.865  -5.594
  345    HE1  TYR  42           HE1      TYR  42  -8.265 -11.262  -3.370
  346    HE2  TYR  42           HE2      TYR  42  -9.572 -14.824  -5.380
  347    HH   TYR  42           HH       TYR  42  -7.588 -14.597  -4.162
  348    H    ARG  43           H        ARG  43 -12.570  -9.567  -3.199
  349    HA   ARG  43           HA       ARG  43 -11.241  -6.962  -3.783
  350   1HB   ARG  43          2HB       ARG  43 -12.066  -6.209  -1.657
  351   2HB   ARG  43          1HB       ARG  43 -13.412  -7.015  -2.463
  352   1HG   ARG  43          2HG       ARG  43 -12.226  -9.108  -1.139
  353   2HG   ARG  43          1HG       ARG  43 -11.958  -7.778  -0.011
  354   1HD   ARG  43          2HD       ARG  43 -14.232  -7.423   0.322
  355   2HD   ARG  43          1HD       ARG  43 -14.672  -8.093  -1.249
  356    HE   ARG  43           HE       ARG  43 -13.918 -10.349  -0.158
  357   1HH1  ARG  43          1HH2      ARG  43 -13.552 -10.520   2.391
  358   2HH1  ARG  43          2HH2      ARG  43 -15.027 -10.214   3.246
  359   1HH2  ARG  43          2HH1      ARG  43 -16.591  -8.708   0.544
  360   2HH2  ARG  43          1HH1      ARG  43 -16.748  -9.188   2.200
  361    H    ILE  44           H        ILE  44  -9.324  -8.694  -4.084
  362    HA   ILE  44           HA       ILE  44  -8.092 -10.009  -1.965
  363    HB   ILE  44           HB       ILE  44  -7.091 -10.000  -4.202
  364   1HG1  ILE  44          2HG1      ILE  44  -5.201  -8.692  -2.220
  365   2HG1  ILE  44          1HG1      ILE  44  -5.676 -10.387  -2.145
  366   1HG2  ILE  44          1HG2      ILE  44  -7.474  -7.214  -3.994
  367   2HG2  ILE  44          3HG2      ILE  44  -5.726  -7.450  -4.047
  368   3HG2  ILE  44          2HG2      ILE  44  -6.741  -8.085  -5.342
  369   1HD1  ILE  44          3HD1      ILE  44  -4.777 -10.741  -4.420
  370   2HD1  ILE  44          2HD1      ILE  44  -4.296  -9.046  -4.492
  371   3HD1  ILE  44          1HD1      ILE  44  -3.528 -10.132  -3.334
  372    H    ASP  45           H        ASP  45  -6.347  -9.237  -0.467
  373    HA   ASP  45           HA       ASP  45  -6.735  -6.359   0.171
  374   1HB   ASP  45          2HB       ASP  45  -7.096  -6.801   2.439
  375   2HB   ASP  45          1HB       ASP  45  -7.912  -8.157   1.660
  376    H    ARG  46           H        ARG  46  -4.661  -7.157  -1.399
  377    HA   ARG  46           HA       ARG  46  -2.380  -6.402   0.286
  378   1HB   ARG  46          2HB       ARG  46  -2.246  -8.822   0.456
  379   2HB   ARG  46          1HB       ARG  46  -2.456  -8.997  -1.287
  380   1HG   ARG  46          2HG       ARG  46  -0.233  -7.225  -0.515
  381   2HG   ARG  46          1HG       ARG  46  -0.024  -8.907  -0.022
  382   1HD   ARG  46          2HD       ARG  46  -0.956  -8.263  -2.806
  383   2HD   ARG  46          1HD       ARG  46   0.764  -8.184  -2.409
  384    HE   ARG  46           HE       ARG  46  -0.548 -10.574  -2.986
  385   1HH1  ARG  46          1HH2      ARG  46  -0.882 -10.810  -0.017
  386   2HH1  ARG  46          2HH2      ARG  46   0.577 -11.619   0.450
  387   1HH2  ARG  46          2HH1      ARG  46   2.223 -10.940  -2.525
  388   2HH2  ARG  46          1HH1      ARG  46   2.331 -11.695  -0.970
  389    H    VAL  47           H        VAL  47  -0.669  -5.470  -1.012
  390    HA   VAL  47           HA       VAL  47  -1.056  -5.395  -3.933
  391    HB   VAL  47           HB       VAL  47  -0.697  -2.670  -2.928
  392   1HG1  VAL  47          1HG1      VAL  47  -1.226  -3.284  -5.259
  393   2HG1  VAL  47          3HG1      VAL  47  -2.756  -3.982  -4.727
  394   3HG1  VAL  47          2HG1      VAL  47  -2.479  -2.246  -4.577
  395   1HG2  VAL  47          1HG2      VAL  47  -3.245  -4.169  -2.230
  396   2HG2  VAL  47          3HG2      VAL  47  -2.144  -3.381  -1.100
  397   3HG2  VAL  47          2HG2      VAL  47  -3.094  -2.411  -2.224
  398    H    ARG  48           H        ARG  48   0.796  -4.064  -4.951
  399    HA   ARG  48           HA       ARG  48   3.264  -4.676  -3.409
  400   1HB   ARG  48          2HB       ARG  48   2.536  -4.654  -6.237
  401   2HB   ARG  48          1HB       ARG  48   4.023  -3.749  -5.929
  402   1HG   ARG  48          2HG       ARG  48   4.220  -6.305  -6.370
  403   2HG   ARG  48          1HG       ARG  48   5.121  -5.625  -5.019
  404   1HD   ARG  48          2HD       ARG  48   3.693  -6.544  -3.422
  405   2HD   ARG  48          1HD       ARG  48   2.337  -6.638  -4.546
  406    HE   ARG  48           HE       ARG  48   4.113  -8.767  -4.044
  407   1HH1  ARG  48          1HH2      ARG  48   5.360  -7.968  -6.624
  408   2HH1  ARG  48          2HH2      ARG  48   4.402  -8.824  -7.785
  409   1HH2  ARG  48          2HH1      ARG  48   1.802  -9.451  -5.579
  410   2HH2  ARG  48          1HH1      ARG  48   2.389  -9.663  -7.194
  411    H    LEU  49           H        LEU  49   3.380  -2.881  -2.011
  412    HA   LEU  49           HA       LEU  49   3.238  -0.184  -3.184
  413   1HB   LEU  49          2HB       LEU  49   2.239  -0.500  -0.972
  414   2HB   LEU  49          1HB       LEU  49   3.778  -1.076  -0.339
  415    HG   LEU  49           HG       LEU  49   4.728   1.031  -0.329
  416   1HD1  LEU  49          2HD1      LEU  49   2.863   1.635  -2.631
  417   2HD1  LEU  49          1HD1      LEU  49   3.743   2.916  -1.798
  418   3HD1  LEU  49          3HD1      LEU  49   4.629   1.635  -2.629
  419   1HD2  LEU  49          2HD2      LEU  49   2.449   0.902   0.951
  420   2HD2  LEU  49          1HD2      LEU  49   3.224   2.473   0.745
  421   3HD2  LEU  49          3HD2      LEU  49   1.882   2.006  -0.301
  422    H    PHE  50           H        PHE  50   5.089  -0.456  -4.575
  423    HA   PHE  50           HA       PHE  50   7.729  -1.042  -3.602
  424   1HB   PHE  50          2HB       PHE  50   6.511   0.190  -6.038
  425   2HB   PHE  50          1HB       PHE  50   8.235   0.471  -5.763
  426    HD1  PHE  50           HD1      PHE  50   6.512  -2.557  -4.588
  427    HD2  PHE  50           HD2      PHE  50   8.948  -0.845  -7.678
  428    HE1  PHE  50           HE1      PHE  50   6.987  -4.815  -5.469
  429    HE2  PHE  50           HE2      PHE  50   9.429  -3.111  -8.555
  430    HZ   PHE  50           HZ       PHE  50   8.451  -5.102  -7.447
  431    H    VAL  51           H        VAL  51   9.478   0.613  -3.294
  432    HA   VAL  51           HA       VAL  51   8.366   3.255  -2.429
  433    HB   VAL  51           HB       VAL  51  10.349   3.312  -0.837
  434   1HG1  VAL  51          2HG1      VAL  51   7.815   2.133  -0.602
  435   2HG1  VAL  51          1HG1      VAL  51   8.920   0.970   0.131
  436   3HG1  VAL  51          3HG1      VAL  51   8.868   2.632   0.721
  437   1HG2  VAL  51          2HG2      VAL  51  11.517   1.427  -2.135
  438   2HG2  VAL  51          1HG2      VAL  51  11.539   1.299  -0.377
  439   3HG2  VAL  51          3HG2      VAL  51  10.408   0.327  -1.318
  440    H    ASP  52           H        ASP  52  10.564   4.788  -2.190
  441    HA   ASP  52           HA       ASP  52  11.962   4.498  -4.815
  442   1HB   ASP  52          2HB       ASP  52  11.549   6.692  -5.395
  443   2HB   ASP  52          1HB       ASP  52  10.100   6.369  -4.451
  444    H    LYS  53           H        LYS  53  13.534   6.890  -4.329
  445    HA   LYS  53           HA       LYS  53  15.793   5.787  -3.027
  446   1HB   LYS  53          2HB       LYS  53  15.172   8.720  -3.316
  447   2HB   LYS  53          1HB       LYS  53  16.755   7.942  -3.379
  448   1HG   LYS  53          2HG       LYS  53  15.800   6.665  -5.427
  449   2HG   LYS  53          1HG       LYS  53  14.541   7.903  -5.435
  450   1HD   LYS  53          2HD       LYS  53  17.526   8.299  -5.754
  451   2HD   LYS  53          1HD       LYS  53  16.254   8.686  -6.914
  452   1HE   LYS  53          2HE       LYS  53  16.345  10.778  -6.047
  453   2HE   LYS  53          1HE       LYS  53  15.463  10.100  -4.681
  454   1HZ   LYS  53          1HZ       LYS  53  18.137   9.466  -4.314
  455   2HZ   LYS  53          3HZ       LYS  53  18.097  11.101  -4.762
  456   3HZ   LYS  53          2HZ       LYS  53  17.201  10.566  -3.420
  457    H    LEU  54           H        LEU  54  13.638   8.429  -1.917
  458    HA   LEU  54           HA       LEU  54  14.577   7.950   0.864
  459   1HB   LEU  54          2HB       LEU  54  13.775  10.268  -0.650
  460   2HB   LEU  54          1HB       LEU  54  12.750  10.107   0.777
  461    HG   LEU  54           HG       LEU  54  14.688  11.405   1.413
  462   1HD1  LEU  54          1HD1      LEU  54  13.948   9.008   2.635
  463   2HD1  LEU  54          3HD1      LEU  54  15.709   8.925   2.562
  464   3HD1  LEU  54          2HD1      LEU  54  14.922  10.287   3.361
  465   1HD2  LEU  54          1HD2      LEU  54  15.985   9.885  -0.536
  466   2HD2  LEU  54          3HD2      LEU  54  16.743  11.065   0.534
  467   3HD2  LEU  54          2HD2      LEU  54  16.724   9.358   0.977
  468    H    ASP  55           H        ASP  55  12.884   5.950  -0.150
  469    HA   ASP  55           HA       ASP  55  10.819   4.886   0.242
  470   1HB   ASP  55          2HB       ASP  55  10.067   6.107   2.714
  471   2HB   ASP  55          1HB       ASP  55  10.789   4.517   2.463
  472    H    ASN  56           H        ASN  56  10.185   6.566  -1.542
  473    HA   ASN  56           HA       ASN  56   7.806   8.060  -0.536
  474   1HB   ASN  56          2HB       ASN  56   9.351   9.800  -1.061
  475   2HB   ASN  56          1HB       ASN  56   9.901   8.972  -2.519
  476   1HD2  ASN  56          2HD2      ASN  56   7.618  10.900  -4.385
  477   2HD2  ASN  56          1HD2      ASN  56   9.219  10.370  -4.185
  478    H    ILE  57           H        ILE  57   6.165   6.891  -1.265
  479    HA   ILE  57           HA       ILE  57   5.920   4.930  -3.094
  480    HB   ILE  57           HB       ILE  57   3.915   7.198  -2.962
  481   1HG1  ILE  57          2HG1      ILE  57   4.328   4.770  -1.182
  482   2HG1  ILE  57          1HG1      ILE  57   4.467   6.459  -0.700
  483   1HG2  ILE  57          1HG2      ILE  57   4.014   4.671  -4.340
  484   2HG2  ILE  57          3HG2      ILE  57   2.737   4.622  -3.125
  485   3HG2  ILE  57          2HG2      ILE  57   2.733   5.884  -4.357
  486   1HD1  ILE  57          2HD1      ILE  57   1.897   5.616  -1.951
  487   2HD1  ILE  57          1HD1      ILE  57   2.217   5.059  -0.308
  488   3HD1  ILE  57          3HD1      ILE  57   2.193   6.786  -0.665
  489    H    ALA  58           H        ALA  58   7.447   5.228  -4.795
  490    HA   ALA  58           HA       ALA  58   6.926   7.366  -6.769
  491   1HB   ALA  58          2HB       ALA  58   9.002   5.165  -6.593
  492   2HB   ALA  58          1HB       ALA  58   8.864   6.244  -7.981
  493   3HB   ALA  58          3HB       ALA  58   9.255   6.899  -6.391
  494    H    GLN  59           H        GLN  59   5.811   4.273  -6.073
  495    HA   GLN  59           HA       GLN  59   4.644   4.035  -8.794
  496   1HB   GLN  59          2HB       GLN  59   6.529   2.182  -7.514
  497   2HB   GLN  59          1HB       GLN  59   5.037   1.401  -8.041
  498   1HG   GLN  59          2HG       GLN  59   5.907   3.242 -10.073
  499   2HG   GLN  59          1HG       GLN  59   7.242   2.169  -9.649
  500   1HE2  GLN  59          2HE2      GLN  59   4.972  -0.750 -10.355
  501   2HE2  GLN  59          1HE2      GLN  59   5.724  -0.165  -8.951
  502    H    VAL  60           H        VAL  60   2.719   4.839  -7.730
  503    HA   VAL  60           HA       VAL  60   1.538   3.937  -5.389
  504    HB   VAL  60           HB       VAL  60   0.474   5.013  -7.964
  505   1HG1  VAL  60          2HG1      VAL  60  -1.211   3.644  -5.857
  506   2HG1  VAL  60          1HG1      VAL  60  -1.862   4.917  -6.888
  507   3HG1  VAL  60          3HG1      VAL  60  -1.261   3.422  -7.605
  508   1HG2  VAL  60          2HG2      VAL  60   1.324   6.466  -6.150
  509   2HG2  VAL  60          1HG2      VAL  60  -0.397   6.734  -6.435
  510   3HG2  VAL  60          3HG2      VAL  60   0.131   5.778  -5.049
  511    HA   PRO  61           HA       PRO  61   0.550  -0.302  -6.241
  512   1HB   PRO  61          2HB       PRO  61  -0.923  -0.714  -3.958
  513   2HB   PRO  61          1HB       PRO  61   0.847  -0.648  -3.973
  514   1HG   PRO  61          2HG       PRO  61  -1.092   1.380  -2.976
  515   2HG   PRO  61          1HG       PRO  61   0.597   1.121  -2.511
  516   1HD   PRO  61          2HD       PRO  61  -0.381   3.136  -4.263
  517   2HD   PRO  61          1HD       PRO  61   1.322   2.712  -3.984
  518    H    ARG  62           H        ARG  62  -1.569  -1.643  -6.395
  519    HA   ARG  62           HA       ARG  62  -4.017   0.003  -6.622
  520   1HB   ARG  62          2HB       ARG  62  -2.421  -0.439  -8.866
  521   2HB   ARG  62          1HB       ARG  62  -3.706  -1.638  -9.008
  522   1HG   ARG  62          2HG       ARG  62  -4.720   0.190 -10.018
  523   2HG   ARG  62          1HG       ARG  62  -5.250   0.408  -8.351
  524   1HD   ARG  62          2HD       ARG  62  -4.422   2.532  -8.786
  525   2HD   ARG  62          1HD       ARG  62  -2.963   1.763  -8.171
  526    HE   ARG  62           HE       ARG  62  -2.587   1.268 -10.748
  527   1HH1  ARG  62          2HH1      ARG  62  -4.775   3.034 -11.669
  528   2HH1  ARG  62          1HH1      ARG  62  -3.975   4.555 -11.887
  529   1HH2  ARG  62          1HH2      ARG  62  -1.207   3.670  -9.995
  530   2HH2  ARG  62          2HH2      ARG  62  -1.956   4.915 -10.938
  531    H    VAL  63           H        VAL  63  -5.655  -1.161  -5.779
  532    HA   VAL  63           HA       VAL  63  -5.401  -4.139  -5.730
  533    HB   VAL  63           HB       VAL  63  -6.650  -2.123  -3.886
  534   1HG1  VAL  63          2HG1      VAL  63  -8.489  -3.702  -4.498
  535   2HG1  VAL  63          1HG1      VAL  63  -7.467  -5.043  -3.983
  536   3HG1  VAL  63          3HG1      VAL  63  -8.008  -3.845  -2.807
  537   1HG2  VAL  63          3HG2      VAL  63  -4.373  -3.186  -3.550
  538   2HG2  VAL  63          2HG2      VAL  63  -5.492  -3.407  -2.206
  539   3HG2  VAL  63          1HG2      VAL  63  -5.200  -4.728  -3.337
  540    H    GLY  64           H        GLY  64  -7.308  -5.383  -6.272
  541   1HA   GLY  64          2HA       GLY  64  -9.244  -5.846  -7.515
  542   2HA   GLY  64          1HA       GLY  64  -9.770  -4.203  -7.142
   
  No H/Q in entry =         542
  Start of MODEL           3
 Raw file had  552 H/Q atoms
  Start of MODEL    3
    1   1H    MET   1          3H        MET   1 -13.758   4.732  -4.833
    2   2H    MET   1          2H        MET   1 -14.763   3.401  -4.507
    3   3H    MET   1          1H        MET   1 -15.087   4.908  -3.794
    4    HA   MET   1           HA       MET   1 -13.755   4.497  -2.092
    5   1HB   MET   1          2HB       MET   1 -14.036   1.895  -3.483
    6   2HB   MET   1          1HB       MET   1 -12.724   1.992  -2.305
    7   1HG   MET   1          2HG       MET   1 -14.497   1.362  -0.936
    8   2HG   MET   1          1HG       MET   1 -14.571   3.118  -0.795
    9   1HE   MET   1          1HE       MET   1 -16.484   3.031   0.118
   10   2HE   MET   1          3HE       MET   1 -17.757   3.741  -0.884
   11   3HE   MET   1          2HE       MET   1 -17.897   2.076  -0.324
   12    H    LYS   2           H        LYS   2 -11.424   3.692  -1.455
   13    HA   LYS   2           HA       LYS   2  -9.574   4.981  -3.362
   14   1HB   LYS   2          2HB       LYS   2  -9.515   4.206  -0.484
   15   2HB   LYS   2          1HB       LYS   2  -7.971   4.306  -1.333
   16   1HG   LYS   2          2HG       LYS   2  -9.698   6.561  -1.976
   17   2HG   LYS   2          1HG       LYS   2  -9.391   6.449  -0.242
   18   1HD   LYS   2          2HD       LYS   2  -6.964   5.926  -1.731
   19   2HD   LYS   2          1HD       LYS   2  -7.651   7.485  -2.196
   20   1HE   LYS   2          2HE       LYS   2  -7.180   8.413  -0.188
   21   2HE   LYS   2          1HE       LYS   2  -7.748   6.996   0.692
   22   1HZ   LYS   2          2HZ       LYS   2  -5.150   7.107  -0.734
   23   2HZ   LYS   2          1HZ       LYS   2  -5.328   7.452   0.919
   24   3HZ   LYS   2          3HZ       LYS   2  -5.690   5.902   0.336
   25    H    THR   3           H        THR   3  -9.759   3.191  -4.957
   26    HA   THR   3           HA       THR   3  -8.292   0.721  -4.125
   27    HB   THR   3           HB       THR   3  -9.439  -0.442  -5.798
   28    HG1  THR   3           HG1      THR   3  -9.780   0.416  -7.678
   29   1HG2  THR   3          2HG2      THR   3 -10.929   1.000  -4.029
   30   2HG2  THR   3          1HG2      THR   3 -11.618   1.546  -5.557
   31   3HG2  THR   3          3HG2      THR   3 -11.613  -0.171  -5.156
   32    H    GLU   4           H        GLU   4  -7.529   3.615  -5.335
   33    HA   GLU   4           HA       GLU   4  -5.546   2.461  -7.256
   34   1HB   GLU   4          2HB       GLU   4  -6.950   5.154  -7.364
   35   2HB   GLU   4          1HB       GLU   4  -5.677   4.643  -8.469
   36   1HG   GLU   4          2HG       GLU   4  -7.240   3.649  -9.758
   37   2HG   GLU   4          1HG       GLU   4  -7.608   2.554  -8.424
   38    H    TRP   5           H        TRP   5  -6.161   5.420  -5.361
   39    HA   TRP   5           HA       TRP   5  -4.730   6.583  -3.906
   40   1HB   TRP   5          2HB       TRP   5  -2.780   4.309  -4.309
   41   2HB   TRP   5          1HB       TRP   5  -2.809   5.477  -2.994
   42    HD1  TRP   5           HD1      TRP   5  -5.188   5.369  -1.460
   43    HE1  TRP   5           HE1      TRP   5  -6.366   3.258  -0.602
   44    HE3  TRP   5           HE3      TRP   5  -3.355   1.888  -4.752
   45    HZ2  TRP   5           HZ2      TRP   5  -6.502   0.476  -1.179
   46    HZ3  TRP   5           HZ3      TRP   5  -4.017  -0.482  -4.537
   47    HH2  TRP   5           HH2      TRP   5  -5.585  -1.185  -2.762
   48    HA   PRO   6           HA       PRO   6  -1.967   7.259  -7.707
   49   1HB   PRO   6          2HB       PRO   6  -3.486   9.064  -9.136
   50   2HB   PRO   6          1HB       PRO   6  -3.502   7.320  -9.450
   51   1HG   PRO   6          2HG       PRO   6  -5.536   8.993  -8.031
   52   2HG   PRO   6          1HG       PRO   6  -5.764   7.511  -8.976
   53   1HD   PRO   6          2HD       PRO   6  -5.738   7.631  -6.176
   54   2HD   PRO   6          1HD       PRO   6  -5.470   6.174  -7.143
   55    H    GLU   7           H        GLU   7  -4.144   9.176  -5.868
   56    HA   GLU   7           HA       GLU   7  -2.679  11.676  -5.942
   57   1HB   GLU   7          2HB       GLU   7  -5.102  10.871  -4.921
   58   2HB   GLU   7          1HB       GLU   7  -4.128  11.050  -3.461
   59   1HG   GLU   7          2HG       GLU   7  -3.751  13.238  -5.382
   60   2HG   GLU   7          1HG       GLU   7  -5.403  13.119  -4.774
   61    H    LEU   8           H        LEU   8  -2.198   8.640  -4.401
   62    HA   LEU   8           HA       LEU   8  -0.711   9.562  -2.116
   63   1HB   LEU   8          2HB       LEU   8  -0.888   7.368  -1.597
   64   2HB   LEU   8          1HB       LEU   8  -1.646   7.098  -3.155
   65    HG   LEU   8           HG       LEU   8   1.354   7.066  -2.690
   66   1HD1  LEU   8          3HD1      LEU   8  -0.727   4.875  -2.809
   67   2HD1  LEU   8          2HD1      LEU   8   0.975   4.565  -3.149
   68   3HD1  LEU   8          1HD1      LEU   8   0.489   5.158  -1.561
   69   1HD2  LEU   8          1HD2      LEU   8  -0.145   7.363  -5.041
   70   2HD2  LEU   8          3HD2      LEU   8   1.551   6.897  -4.937
   71   3HD2  LEU   8          2HD2      LEU   8   0.298   5.659  -5.010
   72    H    VAL   9           H        VAL   9  -0.039   9.166  -5.446
   73    HA   VAL   9           HA       VAL   9   2.651   8.666  -5.616
   74    HB   VAL   9           HB       VAL   9   0.895  10.563  -7.141
   75   1HG1  VAL   9          3HG1      VAL   9   3.825  10.695  -7.006
   76   2HG1  VAL   9          2HG1      VAL   9   3.244  10.347  -8.639
   77   3HG1  VAL   9          1HG1      VAL   9   2.683  11.787  -7.793
   78   1HG2  VAL   9          2HG2      VAL   9   2.107   7.866  -7.470
   79   2HG2  VAL   9          1HG2      VAL   9   0.522   8.457  -7.971
   80   3HG2  VAL   9          3HG2      VAL   9   1.952   8.846  -8.928
   81    H    GLY  10           H        GLY  10   4.528   9.678  -5.200
   82   1HA   GLY  10          2HA       GLY  10   5.956  11.476  -4.714
   83   2HA   GLY  10          1HA       GLY  10   4.551  12.522  -4.605
   84    H    LYS  11           H        LYS  11   3.073  11.234  -2.512
   85    HA   LYS  11           HA       LYS  11   5.019  10.898  -0.305
   86   1HB   LYS  11          2HB       LYS  11   4.214  13.455  -0.877
   87   2HB   LYS  11          1HB       LYS  11   3.036  12.971   0.343
   88   1HG   LYS  11          2HG       LYS  11   4.631  13.505   1.860
   89   2HG   LYS  11          1HG       LYS  11   5.413  11.999   1.373
   90   1HD   LYS  11          2HD       LYS  11   7.049  13.772   1.196
   91   2HD   LYS  11          1HD       LYS  11   6.595  13.290  -0.440
   92   1HE   LYS  11          2HE       LYS  11   5.397  15.235  -0.830
   93   2HE   LYS  11          1HE       LYS  11   5.049  15.490   0.880
   94   1HZ   LYS  11          2HZ       LYS  11   7.508  15.889   1.139
   95   2HZ   LYS  11          1HZ       LYS  11   7.593  15.972  -0.556
   96   3HZ   LYS  11          3HZ       LYS  11   6.646  17.087   0.300
   97    H    SER  12           H        SER  12   3.779   8.774  -0.346
   98    HA   SER  12           HA       SER  12   1.547   9.027   1.543
   99   1HB   SER  12          2HB       SER  12   1.209   8.310  -1.303
  100   2HB   SER  12          1HB       SER  12   0.342   7.296  -0.144
  101    HG   SER  12           HG       SER  12  -0.131   9.594   0.772
  102    H    VAL  13           H        VAL  13   4.016   7.895   2.044
  103    HA   VAL  13           HA       VAL  13   3.896   5.014   1.615
  104    HB   VAL  13           HB       VAL  13   5.568   6.604   3.571
  105   1HG1  VAL  13          1HG1      VAL  13   5.284   3.865   3.275
  106   2HG1  VAL  13          3HG1      VAL  13   6.693   4.220   2.276
  107   3HG1  VAL  13          2HG1      VAL  13   6.686   4.669   3.982
  108   1HG2  VAL  13          2HG2      VAL  13   5.505   7.061   0.910
  109   2HG2  VAL  13          1HG2      VAL  13   6.983   7.195   1.866
  110   3HG2  VAL  13          3HG2      VAL  13   6.657   5.723   0.949
  111    H    GLU  14           H        GLU  14   4.114   6.732   4.749
  112    HA   GLU  14           HA       GLU  14   2.929   4.652   6.266
  113   1HB   GLU  14          2HB       GLU  14   2.436   6.448   7.951
  114   2HB   GLU  14          1HB       GLU  14   4.098   6.498   7.364
  115   1HG   GLU  14          2HG       GLU  14   3.476   8.262   5.751
  116   2HG   GLU  14          1HG       GLU  14   1.818   8.221   6.350
  117    H    GLU  15           H        GLU  15   1.531   7.377   4.522
  118    HA   GLU  15           HA       GLU  15  -1.194   6.926   5.368
  119   1HB   GLU  15          2HB       GLU  15   0.148   8.862   3.882
  120   2HB   GLU  15          1HB       GLU  15  -0.875   8.063   2.687
  121   1HG   GLU  15          2HG       GLU  15  -2.840   8.397   4.147
  122   2HG   GLU  15          1HG       GLU  15  -1.816   9.207   5.334
  123    H    ALA  16           H        ALA  16   0.875   5.678   2.795
  124    HA   ALA  16           HA       ALA  16  -1.169   4.432   1.249
  125   1HB   ALA  16          2HB       ALA  16   1.772   3.997   1.571
  126   2HB   ALA  16          1HB       ALA  16   0.824   2.761   0.746
  127   3HB   ALA  16          3HB       ALA  16   0.858   4.409   0.120
  128    H    LYS  17           H        LYS  17   1.153   2.685   3.322
  129    HA   LYS  17           HA       LYS  17  -0.374   0.331   3.568
  130   1HB   LYS  17          2HB       LYS  17   2.009   1.101   4.561
  131   2HB   LYS  17          1HB       LYS  17   1.034   1.292   6.018
  132   1HG   LYS  17          2HG       LYS  17   1.019  -1.222   4.333
  133   2HG   LYS  17          1HG       LYS  17   2.073  -1.002   5.731
  134   1HD   LYS  17          2HD       LYS  17   0.389  -1.581   7.103
  135   2HD   LYS  17          1HD       LYS  17  -0.581  -0.244   6.485
  136   1HE   LYS  17          2HE       LYS  17  -1.830  -2.257   6.072
  137   2HE   LYS  17          1HE       LYS  17  -1.185  -1.725   4.520
  138   1HZ   LYS  17          1HZ       LYS  17   0.792  -3.247   5.200
  139   2HZ   LYS  17          3HZ       LYS  17  -0.364  -3.988   6.198
  140   3HZ   LYS  17          2HZ       LYS  17  -0.609  -3.922   4.516
  141    H    LYS  18           H        LYS  18  -0.594   3.373   5.280
  142    HA   LYS  18           HA       LYS  18  -2.425   2.651   7.327
  143   1HB   LYS  18          2HB       LYS  18  -1.249   4.742   7.442
  144   2HB   LYS  18          1HB       LYS  18  -1.886   5.249   5.872
  145   1HG   LYS  18          2HG       LYS  18  -4.029   5.644   6.728
  146   2HG   LYS  18          1HG       LYS  18  -3.783   4.580   8.113
  147   1HD   LYS  18          2HD       LYS  18  -1.943   6.898   7.936
  148   2HD   LYS  18          1HD       LYS  18  -3.631   7.286   8.272
  149   1HE   LYS  18          2HE       LYS  18  -3.641   6.124  10.287
  150   2HE   LYS  18          1HE       LYS  18  -2.322   5.060   9.798
  151   1HZ   LYS  18          1HZ       LYS  18  -0.824   6.980   9.911
  152   2HZ   LYS  18          3HZ       LYS  18  -2.099   7.943  10.479
  153   3HZ   LYS  18          2HZ       LYS  18  -1.540   6.637  11.412
  154    H    VAL  19           H        VAL  19  -3.537   5.004   5.006
  155    HA   VAL  19           HA       VAL  19  -6.232   4.354   5.063
  156    HB   VAL  19           HB       VAL  19  -4.889   5.195   2.489
  157   1HG1  VAL  19          1HG1      VAL  19  -7.576   5.041   3.472
  158   2HG1  VAL  19          3HG1      VAL  19  -7.164   6.741   3.239
  159   3HG1  VAL  19          2HG1      VAL  19  -7.018   5.607   1.896
  160   1HG2  VAL  19          2HG2      VAL  19  -5.200   6.695   5.087
  161   2HG2  VAL  19          1HG2      VAL  19  -3.794   6.612   4.023
  162   3HG2  VAL  19          3HG2      VAL  19  -5.207   7.557   3.547
  163    H    ILE  20           H        ILE  20  -3.851   3.037   2.735
  164    HA   ILE  20           HA       ILE  20  -5.580   1.445   1.223
  165    HB   ILE  20           HB       ILE  20  -2.773   0.780   2.157
  166   1HG1  ILE  20          2HG1      ILE  20  -3.619   1.781  -0.560
  167   2HG1  ILE  20          1HG1      ILE  20  -3.317   2.914   0.761
  168   1HG2  ILE  20          1HG2      ILE  20  -4.719  -0.753   0.645
  169   2HG2  ILE  20          3HG2      ILE  20  -3.303  -0.393  -0.341
  170   3HG2  ILE  20          2HG2      ILE  20  -3.115  -1.231   1.198
  171   1HD1  ILE  20          3HD1      ILE  20  -1.119   1.323   0.962
  172   2HD1  ILE  20          2HD1      ILE  20  -1.409   1.253  -0.777
  173   3HD1  ILE  20          1HD1      ILE  20  -1.164   2.810   0.015
  174    H    LEU  21           H        LEU  21  -3.914   0.483   4.254
  175    HA   LEU  21           HA       LEU  21  -4.686  -2.094   4.638
  176   1HB   LEU  21          2HB       LEU  21  -3.607  -0.467   6.326
  177   2HB   LEU  21          1HB       LEU  21  -5.261  -0.100   6.826
  178    HG   LEU  21           HG       LEU  21  -4.688  -2.981   6.586
  179   1HD1  LEU  21          2HD1      LEU  21  -2.699  -1.407   7.789
  180   2HD1  LEU  21          1HD1      LEU  21  -3.651  -2.040   9.132
  181   3HD1  LEU  21          3HD1      LEU  21  -2.916  -3.146   7.972
  182   1HD2  LEU  21          1HD2      LEU  21  -6.214  -1.074   8.266
  183   2HD2  LEU  21          3HD2      LEU  21  -6.672  -2.673   7.682
  184   3HD2  LEU  21          2HD2      LEU  21  -5.632  -2.518   9.098
  185    H    GLN  22           H        GLN  22  -6.995   0.586   4.594
  186    HA   GLN  22           HA       GLN  22  -9.065  -1.532   4.716
  187   1HB   GLN  22          2HB       GLN  22  -8.592   0.237   6.809
  188   2HB   GLN  22          1HB       GLN  22 -10.000   0.907   5.982
  189   1HG   GLN  22          2HG       GLN  22 -11.131  -1.275   6.081
  190   2HG   GLN  22          1HG       GLN  22  -9.721  -1.994   6.861
  191   1HE2  GLN  22          2HE2      GLN  22 -10.357   0.285   9.802
  192   2HE2  GLN  22          1HE2      GLN  22  -9.102   0.174   8.664
  193    H    ASP  23           H        ASP  23  -7.865   0.877   2.810
  194    HA   ASP  23           HA       ASP  23 -10.195   2.302   2.010
  195   1HB   ASP  23          2HB       ASP  23  -7.740   1.398   0.476
  196   2HB   ASP  23          1HB       ASP  23  -9.046   2.285  -0.316
  197    H    LYS  24           H        LYS  24 -11.886   1.650   0.480
  198    HA   LYS  24           HA       LYS  24 -13.282   0.022  -0.539
  199   1HB   LYS  24          2HB       LYS  24 -10.943  -1.903  -0.347
  200   2HB   LYS  24          1HB       LYS  24 -12.271  -1.918  -1.504
  201   1HG   LYS  24          2HG       LYS  24 -11.387   0.368  -2.286
  202   2HG   LYS  24          1HG       LYS  24  -9.920  -0.037  -1.390
  203   1HD   LYS  24          2HD       LYS  24  -9.802  -0.718  -3.795
  204   2HD   LYS  24          1HD       LYS  24  -9.638  -2.079  -2.687
  205   1HE   LYS  24          2HE       LYS  24 -11.810  -2.861  -3.115
  206   2HE   LYS  24          1HE       LYS  24 -12.348  -1.305  -3.744
  207   1HZ   LYS  24          3HZ       LYS  24 -10.175  -2.246  -5.272
  208   2HZ   LYS  24          2HZ       LYS  24 -11.357  -3.463  -5.180
  209   3HZ   LYS  24          1HZ       LYS  24 -11.763  -1.924  -5.773
  210    HA   PRO  25           HA       PRO  25 -14.315  -2.520   3.015
  211   1HB   PRO  25          2HB       PRO  25 -13.737  -5.205   2.802
  212   2HB   PRO  25          1HB       PRO  25 -15.109  -4.428   1.988
  213   1HG   PRO  25          2HG       PRO  25 -12.520  -5.353   0.836
  214   2HG   PRO  25          1HG       PRO  25 -14.102  -5.190   0.056
  215   1HD   PRO  25          2HD       PRO  25 -11.949  -3.399  -0.197
  216   2HD   PRO  25          1HD       PRO  25 -13.628  -3.060  -0.663
  217    H    GLU  26           H        GLU  26 -11.372  -4.395   2.199
  218    HA   GLU  26           HA       GLU  26  -9.791  -3.102   4.285
  219   1HB   GLU  26          2HB       GLU  26 -10.323  -6.057   4.654
  220   2HB   GLU  26          1HB       GLU  26  -9.478  -4.953   5.740
  221   1HG   GLU  26          2HG       GLU  26 -11.591  -3.720   6.120
  222   2HG   GLU  26          1HG       GLU  26 -12.434  -4.858   5.068
  223    H    ALA  27           H        ALA  27  -8.998  -2.927   1.901
  224    HA   ALA  27           HA       ALA  27  -7.515  -5.300   1.020
  225   1HB   ALA  27          2HB       ALA  27  -8.180  -2.622  -0.112
  226   2HB   ALA  27          1HB       ALA  27  -6.729  -3.424  -0.715
  227   3HB   ALA  27          3HB       ALA  27  -8.301  -4.215  -0.866
  228    H    GLN  28           H        GLN  28  -5.532  -5.673   1.883
  229    HA   GLN  28           HA       GLN  28  -4.072  -3.485   3.198
  230   1HB   GLN  28          2HB       GLN  28  -4.253  -6.292   3.537
  231   2HB   GLN  28          1HB       GLN  28  -2.586  -5.947   3.067
  232   1HG   GLN  28          2HG       GLN  28  -2.135  -4.921   5.037
  233   2HG   GLN  28          1HG       GLN  28  -3.649  -4.018   5.001
  234   1HE2  GLN  28          2HE2      GLN  28  -5.310  -6.228   7.192
  235   2HE2  GLN  28          1HE2      GLN  28  -5.376  -4.789   6.294
  236    H    ILE  29           H        ILE  29  -1.553  -3.598   2.773
  237    HA   ILE  29           HA       ILE  29  -1.002  -4.045  -0.108
  238    HB   ILE  29           HB       ILE  29  -1.686  -1.696   0.051
  239   1HG1  ILE  29          2HG1      ILE  29   1.280  -1.469  -0.102
  240   2HG1  ILE  29          1HG1      ILE  29   0.516  -2.637  -1.179
  241   1HG2  ILE  29          2HG2      ILE  29  -0.408  -1.852   2.563
  242   2HG2  ILE  29          1HG2      ILE  29   0.551  -0.720   1.611
  243   3HG2  ILE  29          3HG2      ILE  29  -1.173  -0.432   1.850
  244   1HD1  ILE  29          2HD1      ILE  29  -1.153  -0.564  -1.565
  245   2HD1  ILE  29          1HD1      ILE  29   0.305   0.335  -1.147
  246   3HD1  ILE  29          3HD1      ILE  29   0.316  -0.775  -2.518
  247    H    ILE  30           H        ILE  30   1.175  -4.437  -0.560
  248    HA   ILE  30           HA       ILE  30   2.892  -4.976   1.818
  249    HB   ILE  30           HB       ILE  30   2.677  -6.114  -0.946
  250   1HG1  ILE  30          2HG1      ILE  30   3.074  -7.273   1.829
  251   2HG1  ILE  30          1HG1      ILE  30   1.574  -7.266   0.902
  252   1HG2  ILE  30          1HG2      ILE  30   5.201  -5.620   0.486
  253   2HG2  ILE  30          3HG2      ILE  30   4.970  -7.297  -0.016
  254   3HG2  ILE  30          2HG2      ILE  30   4.923  -6.003  -1.216
  255   1HD1  ILE  30          3HD1      ILE  30   2.877  -8.553  -0.902
  256   2HD1  ILE  30          2HD1      ILE  30   4.110  -8.805   0.334
  257   3HD1  ILE  30          1HD1      ILE  30   2.481  -9.437   0.571
  258    H    VAL  31           H        VAL  31   4.711  -3.714   2.117
  259    HA   VAL  31           HA       VAL  31   5.316  -1.792  -0.069
  260    HB   VAL  31           HB       VAL  31   6.403  -1.577   2.732
  261   1HG1  VAL  31          3HG1      VAL  31   6.442  -0.008   0.320
  262   2HG1  VAL  31          2HG1      VAL  31   5.615   0.893   1.590
  263   3HG1  VAL  31          1HG1      VAL  31   7.257   0.307   1.851
  264   1HG2  VAL  31          1HG2      VAL  31   3.657  -0.795   1.721
  265   2HG2  VAL  31          3HG2      VAL  31   4.039  -1.838   3.092
  266   3HG2  VAL  31          2HG2      VAL  31   4.377  -0.110   3.177
  267    H    LEU  32           H        LEU  32   7.132  -2.068  -1.215
  268    HA   LEU  32           HA       LEU  32   9.441  -3.519  -0.015
  269   1HB   LEU  32          2HB       LEU  32   9.651  -4.897  -2.015
  270   2HB   LEU  32          1HB       LEU  32   8.023  -5.085  -1.379
  271    HG   LEU  32           HG       LEU  32   8.101  -2.847  -3.182
  272   1HD1  LEU  32          2HD1      LEU  32  10.005  -4.671  -3.919
  273   2HD1  LEU  32          1HD1      LEU  32   8.587  -5.305  -4.753
  274   3HD1  LEU  32          3HD1      LEU  32   9.123  -3.652  -5.053
  275   1HD2  LEU  32          3HD2      LEU  32   6.207  -4.446  -2.385
  276   2HD2  LEU  32          2HD2      LEU  32   6.187  -3.918  -4.067
  277   3HD2  LEU  32          1HD2      LEU  32   6.788  -5.524  -3.654
  278    HA   PRO  33           HA       PRO  33  11.794  -0.421  -2.014
  279   1HB   PRO  33          2HB       PRO  33  14.084  -1.784  -2.625
  280   2HB   PRO  33          1HB       PRO  33  13.626  -1.338  -0.971
  281   1HG   PRO  33          2HG       PRO  33  13.510  -4.010  -2.301
  282   2HG   PRO  33          1HG       PRO  33  13.745  -3.615  -0.585
  283   1HD   PRO  33          2HD       PRO  33  11.332  -4.469  -1.755
  284   2HD   PRO  33          1HD       PRO  33  11.491  -3.719  -0.155
  285    H    VAL  34           H        VAL  34  10.149  -2.421  -3.861
  286    HA   VAL  34           HA       VAL  34   9.728  -2.326  -6.193
  287    HB   VAL  34           HB       VAL  34  12.408  -0.986  -6.576
  288   1HG1  VAL  34          1HG1      VAL  34   9.766  -0.973  -8.049
  289   2HG1  VAL  34          3HG1      VAL  34  11.119   0.086  -8.450
  290   3HG1  VAL  34          2HG1      VAL  34  11.293  -1.662  -8.600
  291   1HG2  VAL  34          3HG2      VAL  34  10.128   0.002  -5.077
  292   2HG2  VAL  34          2HG2      VAL  34  11.706   0.748  -5.322
  293   3HG2  VAL  34          1HG2      VAL  34  10.421   0.998  -6.502
  294    H    GLY  35           H        GLY  35  13.276  -2.500  -5.979
  295   1HA   GLY  35          2HA       GLY  35  13.712  -4.558  -7.795
  296   2HA   GLY  35          1HA       GLY  35  14.755  -4.253  -6.405
  297    H    THR  36           H        THR  36  13.724  -5.096  -4.264
  298    HA   THR  36           HA       THR  36  13.826  -7.773  -4.014
  299    HB   THR  36           HB       THR  36  11.765  -6.027  -2.652
  300    HG1  THR  36           HG1      THR  36  14.448  -6.737  -2.135
  301   1HG2  THR  36          2HG2      THR  36  12.871  -8.744  -1.899
  302   2HG2  THR  36          1HG2      THR  36  11.817  -7.760  -0.884
  303   3HG2  THR  36          3HG2      THR  36  11.219  -8.406  -2.413
  304    H    ILE  37           H        ILE  37  12.899  -9.457  -5.008
  305    HA   ILE  37           HA       ILE  37  10.010  -9.274  -5.760
  306    HB   ILE  37           HB       ILE  37  12.068 -10.806  -7.361
  307   1HG1  ILE  37          2HG1      ILE  37  11.198  -7.922  -7.565
  308   2HG1  ILE  37          1HG1      ILE  37  12.830  -8.585  -7.622
  309   1HG2  ILE  37          3HG2      ILE  37   9.262  -9.803  -7.944
  310   2HG2  ILE  37          2HG2      ILE  37  10.286 -10.673  -9.088
  311   3HG2  ILE  37          1HG2      ILE  37   9.721 -11.475  -7.623
  312   1HD1  ILE  37          1HD1      ILE  37  11.557  -9.845  -9.745
  313   2HD1  ILE  37          3HD1      ILE  37  10.911  -8.205  -9.795
  314   3HD1  ILE  37          2HD1      ILE  37  12.653  -8.470  -9.870
  315    H    VAL  38           H        VAL  38  11.849 -10.534  -3.566
  316    HA   VAL  38           HA       VAL  38  11.777 -13.355  -3.782
  317    HB   VAL  38           HB       VAL  38  11.989 -13.379  -1.348
  318   1HG1  VAL  38          1HG1      VAL  38  13.424 -11.127  -2.773
  319   2HG1  VAL  38          3HG1      VAL  38  13.837 -11.631  -1.134
  320   3HG1  VAL  38          2HG1      VAL  38  14.009 -12.763  -2.474
  321   1HG2  VAL  38          2HG2      VAL  38  10.375 -11.033  -1.569
  322   2HG2  VAL  38          1HG2      VAL  38  10.889 -11.859  -0.100
  323   3HG2  VAL  38          3HG2      VAL  38  11.883 -10.572  -0.782
  324    H    THR  39           H        THR  39  10.334 -14.552  -1.912
  325    HA   THR  39           HA       THR  39   7.691 -14.664  -2.963
  326    HB   THR  39           HB       THR  39   7.189 -16.102  -1.043
  327    HG1  THR  39           HG1      THR  39   8.961 -16.313   0.518
  328   1HG2  THR  39          2HG2      THR  39   9.524 -16.386  -2.748
  329   2HG2  THR  39          1HG2      THR  39   9.743 -17.241  -1.221
  330   3HG2  THR  39          3HG2      THR  39   8.355 -17.607  -2.246
  331   1H    GLU  41          2H        GLU  41 -12.551  -9.053 -10.232
  332   2H    GLU  41          1H        GLU  41 -11.051  -9.404 -10.946
  333   3H    GLU  41          3H        GLU  41 -12.456 -10.165 -11.514
  334    HA   GLU  41           HA       GLU  41 -12.197 -11.813 -10.087
  335   1HB   GLU  41          2HB       GLU  41  -9.791 -10.151  -9.318
  336   2HB   GLU  41          1HB       GLU  41 -10.108 -11.736  -8.608
  337   1HG   GLU  41          2HG       GLU  41  -9.317 -12.776 -10.436
  338   2HG   GLU  41          1HG       GLU  41 -10.406 -11.860 -11.479
  339    H    TYR  42           H        TYR  42 -10.764 -10.581  -7.331
  340    HA   TYR  42           HA       TYR  42 -13.407  -9.851  -6.166
  341   1HB   TYR  42          2HB       TYR  42 -12.828 -11.094  -4.147
  342   2HB   TYR  42          1HB       TYR  42 -12.725 -12.167  -5.543
  343    HD1  TYR  42           HD1      TYR  42 -10.358 -12.293  -6.710
  344    HD2  TYR  42           HD2      TYR  42 -11.019 -10.978  -2.675
  345    HE1  TYR  42           HE1      TYR  42  -7.995 -12.782  -6.163
  346    HE2  TYR  42           HE2      TYR  42  -8.657 -11.465  -2.129
  347    HH   TYR  42           HH       TYR  42  -6.835 -12.870  -2.949
  348    H    ARG  43           H        ARG  43 -11.925  -9.581  -3.527
  349    HA   ARG  43           HA       ARG  43 -10.628  -6.958  -4.157
  350   1HB   ARG  43          2HB       ARG  43 -11.388  -6.179  -1.992
  351   2HB   ARG  43          1HB       ARG  43 -12.771  -6.861  -2.848
  352   1HG   ARG  43          2HG       ARG  43 -11.968  -9.089  -1.615
  353   2HG   ARG  43          1HG       ARG  43 -11.299  -7.923  -0.470
  354   1HD   ARG  43          2HD       ARG  43 -13.345  -7.467   0.361
  355   2HD   ARG  43          1HD       ARG  43 -13.991  -7.170  -1.252
  356    HE   ARG  43           HE       ARG  43 -13.674  -9.994  -0.404
  357   1HH1  ARG  43          1HH2      ARG  43 -15.315  -9.911  -2.645
  358   2HH1  ARG  43          2HH2      ARG  43 -16.925  -9.646  -2.066
  359   1HH2  ARG  43          2HH1      ARG  43 -15.904  -8.503   1.044
  360   2HH2  ARG  43          1HH1      ARG  43 -17.258  -8.853   0.024
  361    H    ILE  44           H        ILE  44  -8.680  -8.608  -4.426
  362    HA   ILE  44           HA       ILE  44  -7.514  -9.971  -2.284
  363    HB   ILE  44           HB       ILE  44  -6.450  -9.906  -4.515
  364   1HG1  ILE  44          2HG1      ILE  44  -4.162  -8.821  -3.187
  365   2HG1  ILE  44          1HG1      ILE  44  -5.154  -9.618  -1.961
  366   1HG2  ILE  44          2HG2      ILE  44  -6.902  -7.483  -4.937
  367   2HG2  ILE  44          1HG2      ILE  44  -5.667  -7.074  -3.746
  368   3HG2  ILE  44          3HG2      ILE  44  -5.217  -7.916  -5.230
  369   1HD1  ILE  44          2HD1      ILE  44  -4.938 -11.150  -4.462
  370   2HD1  ILE  44          1HD1      ILE  44  -3.388 -10.904  -3.656
  371   3HD1  ILE  44          3HD1      ILE  44  -4.717 -11.681  -2.794
  372    H    ASP  45           H        ASP  45  -6.244  -9.317  -0.491
  373    HA   ASP  45           HA       ASP  45  -6.537  -6.430   0.129
  374   1HB   ASP  45          2HB       ASP  45  -6.767  -6.990   2.377
  375   2HB   ASP  45          1HB       ASP  45  -7.490  -8.394   1.589
  376    H    ARG  46           H        ARG  46  -4.476  -7.123  -1.598
  377    HA   ARG  46           HA       ARG  46  -2.168  -6.253   0.010
  378   1HB   ARG  46          2HB       ARG  46  -1.721  -8.556   0.191
  379   2HB   ARG  46          1HB       ARG  46  -2.362  -8.903  -1.411
  380   1HG   ARG  46          2HG       ARG  46  -0.391  -7.537  -2.332
  381   2HG   ARG  46          1HG       ARG  46   0.283  -7.625  -0.704
  382   1HD   ARG  46          2HD       ARG  46   1.200  -9.570  -1.481
  383   2HD   ARG  46          1HD       ARG  46  -0.393 -10.223  -1.087
  384    HE   ARG  46           HE       ARG  46  -0.991  -9.831  -3.507
  385   1HH1  ARG  46          1HH2      ARG  46   0.396  -8.908  -5.371
  386   2HH1  ARG  46          2HH2      ARG  46   1.835  -9.830  -5.657
  387   1HH2  ARG  46          2HH1      ARG  46   1.682 -11.503  -2.623
  388   2HH2  ARG  46          1HH1      ARG  46   2.561 -11.299  -4.101
  389    H    VAL  47           H        VAL  47  -0.470  -5.350  -1.337
  390    HA   VAL  47           HA       VAL  47  -1.006  -5.119  -4.232
  391    HB   VAL  47           HB       VAL  47  -0.762  -2.633  -2.519
  392   1HG1  VAL  47          2HG1      VAL  47  -1.206  -3.227  -5.435
  393   2HG1  VAL  47          1HG1      VAL  47  -1.794  -1.718  -4.735
  394   3HG1  VAL  47          3HG1      VAL  47  -0.071  -2.097  -4.697
  395   1HG2  VAL  47          2HG2      VAL  47  -3.202  -3.993  -3.687
  396   2HG2  VAL  47          1HG2      VAL  47  -2.867  -3.713  -1.979
  397   3HG2  VAL  47          3HG2      VAL  47  -3.199  -2.350  -3.047
  398    H    ARG  48           H        ARG  48   0.851  -3.674  -5.223
  399    HA   ARG  48           HA       ARG  48   3.359  -4.550  -3.886
  400   1HB   ARG  48          2HB       ARG  48   2.608  -3.925  -6.720
  401   2HB   ARG  48          1HB       ARG  48   4.296  -3.773  -6.223
  402   1HG   ARG  48          2HG       ARG  48   2.597  -6.253  -5.791
  403   2HG   ARG  48          1HG       ARG  48   3.740  -6.050  -7.120
  404   1HD   ARG  48          2HD       ARG  48   5.543  -5.649  -5.415
  405   2HD   ARG  48          1HD       ARG  48   4.382  -6.067  -4.154
  406    HE   ARG  48           HE       ARG  48   4.720  -8.076  -6.280
  407   1HH1  ARG  48          2HH1      ARG  48   4.136  -7.776  -3.080
  408   2HH1  ARG  48          1HH1      ARG  48   5.329  -8.906  -2.532
  409   1HH2  ARG  48          1HH2      ARG  48   6.880  -9.170  -5.622
  410   2HH2  ARG  48          2HH2      ARG  48   6.883  -9.696  -3.972
  411    H    LEU  49           H        LEU  49   2.765  -2.569  -2.402
  412    HA   LEU  49           HA       LEU  49   3.080   0.079  -3.413
  413   1HB   LEU  49          2HB       LEU  49   2.198  -0.112  -1.210
  414   2HB   LEU  49          1HB       LEU  49   3.553  -1.108  -0.674
  415    HG   LEU  49           HG       LEU  49   5.060   0.725  -0.699
  416   1HD1  LEU  49          1HD1      LEU  49   2.926   2.159  -2.306
  417   2HD1  LEU  49          3HD1      LEU  49   4.323   2.981  -1.612
  418   3HD1  LEU  49          2HD1      LEU  49   4.556   1.730  -2.836
  419   1HD2  LEU  49          1HD2      LEU  49   2.331   1.437   0.359
  420   2HD2  LEU  49          3HD2      LEU  49   3.787   0.998   1.254
  421   3HD2  LEU  49          2HD2      LEU  49   3.661   2.586   0.497
  422    H    PHE  50           H        PHE  50   4.833   0.053  -4.858
  423    HA   PHE  50           HA       PHE  50   7.512  -0.763  -3.999
  424   1HB   PHE  50          2HB       PHE  50   6.290   0.565  -6.410
  425   2HB   PHE  50          1HB       PHE  50   8.045   0.553  -6.212
  426    HD1  PHE  50           HD1      PHE  50   7.032  -2.362  -4.628
  427    HD2  PHE  50           HD2      PHE  50   7.305  -0.671  -8.567
  428    HE1  PHE  50           HE1      PHE  50   7.081  -4.635  -5.612
  429    HE2  PHE  50           HE2      PHE  50   7.352  -2.944  -9.540
  430    HZ   PHE  50           HZ       PHE  50   7.240  -4.928  -8.062
  431    H    VAL  51           H        VAL  51   9.047   0.642  -3.103
  432    HA   VAL  51           HA       VAL  51   8.172   3.472  -2.728
  433    HB   VAL  51           HB       VAL  51  10.241   3.333  -1.049
  434   1HG1  VAL  51          1HG1      VAL  51   7.432   2.294  -0.641
  435   2HG1  VAL  51          3HG1      VAL  51   8.565   2.488   0.697
  436   3HG1  VAL  51          2HG1      VAL  51   8.070   3.891  -0.250
  437   1HG2  VAL  51          1HG2      VAL  51  10.466   0.844  -1.955
  438   2HG2  VAL  51          3HG2      VAL  51  10.780   1.222  -0.264
  439   3HG2  VAL  51          2HG2      VAL  51   9.227   0.533  -0.740
  440    H    ASP  52           H        ASP  52  10.462   4.825  -2.364
  441    HA   ASP  52           HA       ASP  52  12.099   4.197  -4.778
  442   1HB   ASP  52          2HB       ASP  52  11.755   6.258  -5.682
  443   2HB   ASP  52          1HB       ASP  52  10.341   6.299  -4.637
  444    H    LYS  53           H        LYS  53  13.911   6.296  -4.461
  445    HA   LYS  53           HA       LYS  53  15.919   5.304  -2.851
  446   1HB   LYS  53          2HB       LYS  53  15.358   8.233  -3.264
  447   2HB   LYS  53          1HB       LYS  53  16.937   7.463  -3.103
  448   1HG   LYS  53          2HG       LYS  53  16.242   6.124  -5.221
  449   2HG   LYS  53          1HG       LYS  53  15.000   7.365  -5.418
  450   1HD   LYS  53          2HD       LYS  53  16.693   8.378  -6.609
  451   2HD   LYS  53          1HD       LYS  53  17.108   8.974  -5.002
  452   1HE   LYS  53          2HE       LYS  53  18.699   7.118  -4.711
  453   2HE   LYS  53          1HE       LYS  53  18.274   6.494  -6.305
  454   1HZ   LYS  53          2HZ       LYS  53  18.880   9.131  -6.722
  455   2HZ   LYS  53          1HZ       LYS  53  20.053   8.609  -5.610
  456   3HZ   LYS  53          3HZ       LYS  53  19.871   7.799  -7.088
  457    H    LEU  54           H        LEU  54  13.952   8.159  -1.934
  458    HA   LEU  54           HA       LEU  54  14.554   7.581   0.911
  459   1HB   LEU  54          2HB       LEU  54  14.776   9.910  -0.173
  460   2HB   LEU  54          1HB       LEU  54  13.013   9.956  -0.133
  461    HG   LEU  54           HG       LEU  54  13.911   9.042   2.415
  462   1HD1  LEU  54          3HD1      LEU  54  16.062  10.178   1.670
  463   2HD1  LEU  54          2HD1      LEU  54  15.155  11.690   1.636
  464   3HD1  LEU  54          1HD1      LEU  54  15.351  10.812   3.154
  465   1HD2  LEU  54          3HD2      LEU  54  11.971  10.681   1.365
  466   2HD2  LEU  54          2HD2      LEU  54  12.319  10.524   3.087
  467   3HD2  LEU  54          1HD2      LEU  54  13.031  11.846   2.161
  468    H    ASP  55           H        ASP  55  12.902   5.667  -0.002
  469    HA   ASP  55           HA       ASP  55  10.734   4.744   0.134
  470   1HB   ASP  55          2HB       ASP  55   9.662   5.730   2.440
  471   2HB   ASP  55          1HB       ASP  55  10.856   4.430   2.384
  472    H    ASN  56           H        ASN  56  10.477   6.567  -1.702
  473    HA   ASN  56           HA       ASN  56   8.124   8.241  -0.920
  474   1HB   ASN  56          2HB       ASN  56   9.940   9.668  -1.641
  475   2HB   ASN  56          1HB       ASN  56  10.239   8.656  -3.052
  476   1HD2  ASN  56          2HD2      ASN  56   7.301   9.893  -4.795
  477   2HD2  ASN  56          1HD2      ASN  56   8.179   8.460  -4.565
  478    H    ILE  57           H        ILE  57   6.252   7.483  -1.743
  479    HA   ILE  57           HA       ILE  57   6.118   5.231  -3.458
  480    HB   ILE  57           HB       ILE  57   3.999   7.341  -2.978
  481   1HG1  ILE  57          2HG1      ILE  57   4.894   4.876  -1.480
  482   2HG1  ILE  57          1HG1      ILE  57   4.570   6.489  -0.846
  483   1HG2  ILE  57          1HG2      ILE  57   3.629   5.838  -4.947
  484   2HG2  ILE  57          3HG2      ILE  57   3.756   4.450  -3.868
  485   3HG2  ILE  57          2HG2      ILE  57   2.439   5.603  -3.671
  486   1HD1  ILE  57          1HD1      ILE  57   2.448   4.673  -2.018
  487   2HD1  ILE  57          3HD1      ILE  57   2.785   4.808  -0.296
  488   3HD1  ILE  57          2HD1      ILE  57   2.186   6.207  -1.187
  489    H    ALA  58           H        ALA  58   7.437   5.653  -5.261
  490    HA   ALA  58           HA       ALA  58   6.694   7.862  -7.078
  491   1HB   ALA  58          3HB       ALA  58   9.044   6.298  -6.612
  492   2HB   ALA  58          2HB       ALA  58   8.534   6.021  -8.277
  493   3HB   ALA  58          1HB       ALA  58   8.852   7.663  -7.714
  494    H    GLN  59           H        GLN  59   6.290   4.427  -6.658
  495    HA   GLN  59           HA       GLN  59   4.865   4.234  -9.277
  496   1HB   GLN  59          2HB       GLN  59   6.750   2.558  -8.424
  497   2HB   GLN  59          1HB       GLN  59   5.402   1.856  -7.528
  498   1HG   GLN  59          2HG       GLN  59   4.202   2.098  -9.909
  499   2HG   GLN  59          1HG       GLN  59   5.869   1.970 -10.472
  500   1HE2  GLN  59          2HE2      GLN  59   5.393  -1.542 -10.280
  501   2HE2  GLN  59          1HE2      GLN  59   5.629  -0.209 -11.304
  502    H    VAL  60           H        VAL  60   2.633   3.998  -9.216
  503    HA   VAL  60           HA       VAL  60   1.387   4.138  -6.558
  504    HB   VAL  60           HB       VAL  60   0.108   4.186  -9.298
  505   1HG1  VAL  60          3HG1      VAL  60  -1.081   3.646  -6.896
  506   2HG1  VAL  60          2HG1      VAL  60  -1.204   5.407  -6.947
  507   3HG1  VAL  60          1HG1      VAL  60  -1.900   4.436  -8.247
  508   1HG2  VAL  60          2HG2      VAL  60   1.733   6.105  -8.035
  509   2HG2  VAL  60          1HG2      VAL  60   0.658   6.375  -9.408
  510   3HG2  VAL  60          3HG2      VAL  60   0.078   6.655  -7.766
  511    HA   PRO  61           HA       PRO  61   0.441  -0.219  -6.666
  512   1HB   PRO  61          2HB       PRO  61  -0.737  -0.255  -4.189
  513   2HB   PRO  61          1HB       PRO  61   1.019  -0.249  -4.423
  514   1HG   PRO  61          2HG       PRO  61  -0.756   1.950  -3.494
  515   2HG   PRO  61          1HG       PRO  61   0.977   1.717  -3.216
  516   1HD   PRO  61          2HD       PRO  61  -0.216   3.485  -5.109
  517   2HD   PRO  61          1HD       PRO  61   1.509   3.080  -4.975
  518    H    ARG  62           H        ARG  62  -1.627  -1.487  -6.643
  519    HA   ARG  62           HA       ARG  62  -4.112   0.097  -6.493
  520   1HB   ARG  62          2HB       ARG  62  -2.850  -0.400  -8.977
  521   2HB   ARG  62          1HB       ARG  62  -4.256  -1.463  -8.900
  522   1HG   ARG  62          2HG       ARG  62  -5.263   0.463  -9.699
  523   2HG   ARG  62          1HG       ARG  62  -5.428   0.729  -7.963
  524   1HD   ARG  62          2HD       ARG  62  -3.814   2.375  -7.918
  525   2HD   ARG  62          1HD       ARG  62  -2.896   1.650  -9.242
  526    HE   ARG  62           HE       ARG  62  -5.402   3.235  -9.633
  527   1HH1  ARG  62          1HH2      ARG  62  -5.598   2.729 -12.079
  528   2HH1  ARG  62          2HH2      ARG  62  -4.201   3.221 -12.974
  529   1HH2  ARG  62          2HH1      ARG  62  -2.191   3.541 -10.165
  530   2HH2  ARG  62          1HH1      ARG  62  -2.269   3.681 -11.890
  531    H    VAL  63           H        VAL  63  -5.898  -1.160  -6.001
  532    HA   VAL  63           HA       VAL  63  -5.350  -4.065  -5.559
  533    HB   VAL  63           HB       VAL  63  -6.628  -1.955  -3.949
  534   1HG1  VAL  63          3HG1      VAL  63  -7.956  -4.672  -4.156
  535   2HG1  VAL  63          2HG1      VAL  63  -8.276  -3.490  -2.887
  536   3HG1  VAL  63          1HG1      VAL  63  -8.686  -3.121  -4.563
  537   1HG2  VAL  63          3HG2      VAL  63  -5.006  -4.396  -3.627
  538   2HG2  VAL  63          2HG2      VAL  63  -4.986  -2.905  -2.689
  539   3HG2  VAL  63          1HG2      VAL  63  -6.182  -4.147  -2.340
  540    H    GLY  64           H        GLY  64  -6.915  -5.556  -6.290
  541   1HA   GLY  64          2HA       GLY  64  -9.515  -5.176  -7.115
  542   2HA   GLY  64          1HA       GLY  64  -8.574  -4.634  -8.505
   
  No H/Q in entry =         542
  Start of MODEL           4
 Raw file had  552 H/Q atoms
  Start of MODEL    4
    1   1H    MET   1          3H        MET   1 -14.339   4.717  -1.954
    2   2H    MET   1          2H        MET   1 -15.896   4.032  -1.956
    3   3H    MET   1          1H        MET   1 -14.576   3.145  -1.362
    4    HA   MET   1           HA       MET   1 -14.792   2.218  -3.430
    5   1HB   MET   1          2HB       MET   1 -16.001   4.848  -4.001
    6   2HB   MET   1          1HB       MET   1 -15.087   4.165  -5.346
    7   1HG   MET   1          2HG       MET   1 -16.361   2.035  -5.082
    8   2HG   MET   1          1HG       MET   1 -17.328   2.802  -3.825
    9   1HE   MET   1          1HE       MET   1 -17.996   5.279  -4.202
   10   2HE   MET   1          3HE       MET   1 -19.100   5.673  -5.527
   11   3HE   MET   1          2HE       MET   1 -19.495   4.376  -4.402
   12    H    LYS   2           H        LYS   2 -12.510   3.316  -2.018
   13    HA   LYS   2           HA       LYS   2 -10.827   4.547  -4.110
   14   1HB   LYS   2          2HB       LYS   2 -10.606   5.378  -1.812
   15   2HB   LYS   2          1HB       LYS   2 -10.199   3.754  -1.250
   16   1HG   LYS   2          2HG       LYS   2  -8.044   4.336  -1.616
   17   2HG   LYS   2          1HG       LYS   2  -8.416   4.146  -3.329
   18   1HD   LYS   2          2HD       LYS   2  -7.374   6.352  -2.821
   19   2HD   LYS   2          1HD       LYS   2  -8.992   6.513  -3.505
   20   1HE   LYS   2          2HE       LYS   2  -9.540   7.753  -1.705
   21   2HE   LYS   2          1HE       LYS   2  -9.388   6.291  -0.731
   22   1HZ   LYS   2          2HZ       LYS   2  -6.862   6.914  -0.874
   23   2HZ   LYS   2          1HZ       LYS   2  -7.481   8.477  -1.118
   24   3HZ   LYS   2          3HZ       LYS   2  -7.873   7.622   0.293
   25    H    THR   3           H        THR   3 -10.814   2.657  -5.568
   26    HA   THR   3           HA       THR   3  -9.458   0.229  -4.545
   27    HB   THR   3           HB       THR   3  -9.708  -0.432  -7.046
   28    HG1  THR   3           HG1      THR   3 -10.620   0.979  -8.287
   29   1HG2  THR   3          3HG2      THR   3 -12.095   0.110  -5.263
   30   2HG2  THR   3          2HG2      THR   3 -12.156  -0.895  -6.711
   31   3HG2  THR   3          1HG2      THR   3 -11.148  -1.375  -5.347
   32    H    GLU   4           H        GLU   4  -8.701   3.214  -6.052
   33    HA   GLU   4           HA       GLU   4  -6.017   2.176  -6.884
   34   1HB   GLU   4          2HB       GLU   4  -6.934   4.912  -7.666
   35   2HB   GLU   4          1HB       GLU   4  -5.956   3.754  -8.571
   36   1HG   GLU   4          2HG       GLU   4  -7.962   2.361  -8.964
   37   2HG   GLU   4          1HG       GLU   4  -8.941   3.528  -8.076
   38    H    TRP   5           H        TRP   5  -4.391   4.162  -6.754
   39    HA   TRP   5           HA       TRP   5  -4.870   5.834  -4.388
   40   1HB   TRP   5          2HB       TRP   5  -2.706   3.721  -4.494
   41   2HB   TRP   5          1HB       TRP   5  -2.678   5.082  -3.361
   42    HD1  TRP   5           HD1      TRP   5  -4.842   5.275  -1.684
   43    HE1  TRP   5           HE1      TRP   5  -6.256   3.406  -0.611
   44    HE3  TRP   5           HE3      TRP   5  -3.620   1.365  -4.741
   45    HZ2  TRP   5           HZ2      TRP   5  -6.796   0.627  -0.996
   46    HZ3  TRP   5           HZ3      TRP   5  -4.595  -0.879  -4.362
   47    HH2  TRP   5           HH2      TRP   5  -6.180  -1.250  -2.494
   48    HA   PRO   6           HA       PRO   6  -1.995   7.401  -7.774
   49   1HB   PRO   6          2HB       PRO   6  -3.774   9.097  -9.027
   50   2HB   PRO   6          1HB       PRO   6  -3.462   7.438  -9.570
   51   1HG   PRO   6          2HG       PRO   6  -5.806   8.510  -8.046
   52   2HG   PRO   6          1HG       PRO   6  -5.736   7.167  -9.201
   53   1HD   PRO   6          2HD       PRO   6  -5.822   6.858  -6.426
   54   2HD   PRO   6          1HD       PRO   6  -5.238   5.632  -7.570
   55    H    GLU   7           H        GLU   7  -4.453   8.585  -5.682
   56    HA   GLU   7           HA       GLU   7  -3.463  11.304  -5.404
   57   1HB   GLU   7          2HB       GLU   7  -5.691   9.905  -4.484
   58   2HB   GLU   7          1HB       GLU   7  -4.737  10.175  -3.023
   59   1HG   GLU   7          2HG       GLU   7  -4.631  12.575  -3.499
   60   2HG   GLU   7          1HG       GLU   7  -5.510  12.334  -5.009
   61    H    LEU   8           H        LEU   8  -2.523   8.187  -4.263
   62    HA   LEU   8           HA       LEU   8  -0.998   9.201  -1.984
   63   1HB   LEU   8          2HB       LEU   8  -0.926   6.469  -3.287
   64   2HB   LEU   8          1HB       LEU   8  -0.267   6.889  -1.707
   65    HG   LEU   8           HG       LEU   8  -3.156   6.713  -2.553
   66   1HD1  LEU   8          1HD1      LEU   8  -1.503   5.624  -0.261
   67   2HD1  LEU   8          3HD1      LEU   8  -3.247   5.410  -0.405
   68   3HD1  LEU   8          2HD1      LEU   8  -2.168   4.705  -1.610
   69   1HD2  LEU   8          1HD2      LEU   8  -2.015   8.158  -0.135
   70   2HD2  LEU   8          3HD2      LEU   8  -2.940   8.889  -1.447
   71   3HD2  LEU   8          2HD2      LEU   8  -3.719   7.754  -0.344
   72    H    VAL   9           H        VAL   9  -0.543   9.243  -5.282
   73    HA   VAL   9           HA       VAL   9   2.124   8.414  -5.638
   74    HB   VAL   9           HB       VAL   9   0.509  10.597  -6.959
   75   1HG1  VAL   9          1HG1      VAL   9   2.999  11.167  -6.928
   76   2HG1  VAL   9          3HG1      VAL   9   3.265   9.670  -7.831
   77   3HG1  VAL   9          2HG1      VAL   9   2.298  10.964  -8.538
   78   1HG2  VAL   9          1HG2      VAL   9  -0.051   8.215  -7.403
   79   2HG2  VAL   9          3HG2      VAL   9   0.556   9.027  -8.846
   80   3HG2  VAL   9          2HG2      VAL   9   1.607   7.942  -7.938
   81    H    GLY  10           H        GLY  10   4.104   9.482  -5.471
   82   1HA   GLY  10          2HA       GLY  10   5.663  10.947  -4.541
   83   2HA   GLY  10          1HA       GLY  10   4.429  12.190  -4.729
   84    H    LYS  11           H        LYS  11   3.281   9.604  -2.849
   85    HA   LYS  11           HA       LYS  11   3.599  11.269  -0.410
   86   1HB   LYS  11          2HB       LYS  11   1.411   9.976  -1.393
   87   2HB   LYS  11          1HB       LYS  11   2.028   8.761  -0.275
   88   1HG   LYS  11          2HG       LYS  11   0.547  10.139   1.003
   89   2HG   LYS  11          1HG       LYS  11   2.180  10.628   1.461
   90   1HD   LYS  11          2HD       LYS  11   2.086  12.548  -0.007
   91   2HD   LYS  11          1HD       LYS  11   0.548  12.013  -0.683
   92   1HE   LYS  11          2HE       LYS  11  -0.330  13.432   0.875
   93   2HE   LYS  11          1HE       LYS  11  -0.081  12.062   1.958
   94   1HZ   LYS  11          2HZ       LYS  11   2.297  13.107   2.126
   95   2HZ   LYS  11          1HZ       LYS  11   1.476  14.528   1.685
   96   3HZ   LYS  11          3HZ       LYS  11   1.020  13.685   3.085
   97    H    SER  12           H        SER  12   3.144   8.719   1.212
   98    HA   SER  12           HA       SER  12   5.781   7.403   0.833
   99   1HB   SER  12          2HB       SER  12   4.960   9.099   3.141
  100   2HB   SER  12          1HB       SER  12   5.834   7.611   3.510
  101    HG   SER  12           HG       SER  12   6.792   9.192   1.425
  102    H    VAL  13           H        VAL  13   5.961   5.444   2.277
  103    HA   VAL  13           HA       VAL  13   3.826   3.667   1.936
  104    HB   VAL  13           HB       VAL  13   5.965   3.674   4.084
  105   1HG1  VAL  13          3HG1      VAL  13   3.651   1.980   3.703
  106   2HG1  VAL  13          2HG1      VAL  13   5.132   1.050   3.475
  107   3HG1  VAL  13          1HG1      VAL  13   4.864   1.927   4.981
  108   1HG2  VAL  13          2HG2      VAL  13   5.746   2.606   1.277
  109   2HG2  VAL  13          1HG2      VAL  13   7.070   3.504   2.019
  110   3HG2  VAL  13          3HG2      VAL  13   6.804   1.813   2.443
  111    H    GLU  14           H        GLU  14   4.535   5.779   4.699
  112    HA   GLU  14           HA       GLU  14   2.728   4.916   6.601
  113   1HB   GLU  14          2HB       GLU  14   3.407   7.734   5.733
  114   2HB   GLU  14          1HB       GLU  14   2.394   7.394   7.137
  115   1HG   GLU  14          2HG       GLU  14   4.136   6.431   8.339
  116   2HG   GLU  14          1HG       GLU  14   5.028   5.989   6.883
  117    H    GLU  15           H        GLU  15   1.770   7.571   4.398
  118    HA   GLU  15           HA       GLU  15  -1.016   7.247   4.792
  119   1HB   GLU  15          2HB       GLU  15   0.083   9.208   3.680
  120   2HB   GLU  15          1HB       GLU  15   0.342   8.201   2.254
  121   1HG   GLU  15          2HG       GLU  15  -1.685   9.072   1.637
  122   2HG   GLU  15          1HG       GLU  15  -2.296   7.757   2.643
  123    H    ALA  16           H        ALA  16   1.180   5.623   2.539
  124    HA   ALA  16           HA       ALA  16  -0.833   4.396   0.923
  125   1HB   ALA  16          1HB       ALA  16   2.044   3.829   1.515
  126   2HB   ALA  16          3HB       ALA  16   1.096   2.598   0.682
  127   3HB   ALA  16          2HB       ALA  16   1.275   4.203  -0.026
  128    H    LYS  17           H        LYS  17   1.220   2.336   2.963
  129    HA   LYS  17           HA       LYS  17  -0.595   0.263   3.301
  130   1HB   LYS  17          2HB       LYS  17   1.807   1.138   4.617
  131   2HB   LYS  17          1HB       LYS  17   0.652   0.598   5.837
  132   1HG   LYS  17          2HG       LYS  17   1.185  -1.038   3.358
  133   2HG   LYS  17          1HG       LYS  17   2.200  -1.192   4.792
  134   1HD   LYS  17          2HD       LYS  17  -0.611  -1.222   5.513
  135   2HD   LYS  17          1HD       LYS  17  -0.251  -2.482   4.332
  136   1HE   LYS  17          2HE       LYS  17   1.591  -2.081   6.669
  137   2HE   LYS  17          1HE       LYS  17   0.084  -2.969   6.896
  138   1HZ   LYS  17          3HZ       LYS  17   1.697  -3.679   4.576
  139   2HZ   LYS  17          2HZ       LYS  17   2.312  -4.126   6.095
  140   3HZ   LYS  17          1HZ       LYS  17   0.778  -4.667   5.604
  141    H    LYS  18           H        LYS  18  -0.485   3.326   4.986
  142    HA   LYS  18           HA       LYS  18  -2.294   2.872   7.097
  143   1HB   LYS  18          2HB       LYS  18  -1.056   4.937   6.974
  144   2HB   LYS  18          1HB       LYS  18  -1.782   5.338   5.414
  145   1HG   LYS  18          2HG       LYS  18  -4.037   5.327   6.587
  146   2HG   LYS  18          1HG       LYS  18  -3.157   5.218   8.113
  147   1HD   LYS  18          2HD       LYS  18  -1.969   7.290   6.536
  148   2HD   LYS  18          1HD       LYS  18  -3.712   7.553   6.575
  149   1HE   LYS  18          2HE       LYS  18  -3.458   7.049   9.138
  150   2HE   LYS  18          1HE       LYS  18  -1.764   7.453   8.862
  151   1HZ   LYS  18          2HZ       LYS  18  -3.542   9.317   7.624
  152   2HZ   LYS  18          1HZ       LYS  18  -3.789   9.225   9.303
  153   3HZ   LYS  18          3HZ       LYS  18  -2.252   9.600   8.693
  154    H    VAL  19           H        VAL  19  -3.332   4.905   4.409
  155    HA   VAL  19           HA       VAL  19  -6.095   4.206   4.719
  156    HB   VAL  19           HB       VAL  19  -5.003   5.226   2.109
  157   1HG1  VAL  19          1HG1      VAL  19  -7.532   4.944   3.228
  158   2HG1  VAL  19          3HG1      VAL  19  -7.169   6.655   3.456
  159   3HG1  VAL  19          2HG1      VAL  19  -7.125   5.951   1.839
  160   1HG2  VAL  19          3HG2      VAL  19  -4.943   6.627   4.786
  161   2HG2  VAL  19          2HG2      VAL  19  -3.664   6.530   3.573
  162   3HG2  VAL  19          1HG2      VAL  19  -5.084   7.539   3.283
  163    H    ILE  20           H        ILE  20  -3.720   3.235   2.225
  164    HA   ILE  20           HA       ILE  20  -5.254   1.622   0.603
  165    HB   ILE  20           HB       ILE  20  -2.487   1.070   1.708
  166   1HG1  ILE  20          2HG1      ILE  20  -3.321   1.981  -1.055
  167   2HG1  ILE  20          1HG1      ILE  20  -2.973   3.122   0.245
  168   1HG2  ILE  20          2HG2      ILE  20  -4.222  -0.469  -0.171
  169   2HG2  ILE  20          1HG2      ILE  20  -2.510  -0.328  -0.569
  170   3HG2  ILE  20          3HG2      ILE  20  -3.002  -1.050   0.962
  171   1HD1  ILE  20          1HD1      ILE  20  -0.817   1.395   0.359
  172   2HD1  ILE  20          3HD1      ILE  20  -1.124   1.518  -1.374
  173   3HD1  ILE  20          2HD1      ILE  20  -0.815   2.975  -0.427
  174    H    LEU  21           H        LEU  21  -3.713   0.494   3.654
  175    HA   LEU  21           HA       LEU  21  -4.653  -2.097   3.789
  176   1HB   LEU  21          2HB       LEU  21  -3.312  -0.927   5.565
  177   2HB   LEU  21          1HB       LEU  21  -4.810  -0.168   6.119
  178    HG   LEU  21           HG       LEU  21  -5.037  -3.075   5.773
  179   1HD1  LEU  21          3HD1      LEU  21  -2.609  -2.248   6.815
  180   2HD1  LEU  21          2HD1      LEU  21  -3.595  -2.483   8.259
  181   3HD1  LEU  21          1HD1      LEU  21  -3.370  -3.810   7.120
  182   1HD2  LEU  21          2HD2      LEU  21  -6.351  -1.064   7.123
  183   2HD2  LEU  21          1HD2      LEU  21  -6.556  -2.786   7.443
  184   3HD2  LEU  21          3HD2      LEU  21  -5.434  -1.837   8.417
  185    H    GLN  22           H        GLN  22  -6.560   0.795   4.656
  186    HA   GLN  22           HA       GLN  22  -8.989  -0.830   4.127
  187   1HB   GLN  22          2HB       GLN  22  -8.070  -0.182   6.722
  188   2HB   GLN  22          1HB       GLN  22  -9.454   0.864   6.405
  189   1HG   GLN  22          2HG       GLN  22 -10.356  -1.517   5.398
  190   2HG   GLN  22          1HG       GLN  22  -9.354  -2.075   6.740
  191   1HE2  GLN  22          2HE2      GLN  22 -12.473   0.456   7.677
  192   2HE2  GLN  22          1HE2      GLN  22 -11.630   0.693   6.224
  193    H    ASP  23           H        ASP  23  -8.207   1.000   2.301
  194    HA   ASP  23           HA       ASP  23  -9.282   3.642   2.914
  195   1HB   ASP  23          2HB       ASP  23  -8.970   4.080   0.479
  196   2HB   ASP  23          1HB       ASP  23  -7.508   3.476   1.255
  197    H    LYS  24           H        LYS  24 -10.507   0.650   1.544
  198    HA   LYS  24           HA       LYS  24 -13.167   1.950   1.486
  199   1HB   LYS  24          2HB       LYS  24 -13.409   0.076  -0.527
  200   2HB   LYS  24          1HB       LYS  24 -13.212   1.801  -0.749
  201   1HG   LYS  24          2HG       LYS  24 -10.792   1.584  -0.886
  202   2HG   LYS  24          1HG       LYS  24 -10.882  -0.136  -0.562
  203   1HD   LYS  24          2HD       LYS  24 -11.995   1.291  -2.994
  204   2HD   LYS  24          1HD       LYS  24 -10.581   0.235  -2.956
  205   1HE   LYS  24          2HE       LYS  24 -13.302  -0.762  -2.101
  206   2HE   LYS  24          1HE       LYS  24 -12.796  -0.790  -3.786
  207   1HZ   LYS  24          2HZ       LYS  24 -11.038  -1.893  -1.700
  208   2HZ   LYS  24          1HZ       LYS  24 -12.323  -2.822  -2.309
  209   3HZ   LYS  24          3HZ       LYS  24 -11.109  -2.269  -3.354
  210    HA   PRO  25           HA       PRO  25 -14.155  -2.328   2.943
  211   1HB   PRO  25          2HB       PRO  25 -13.052  -4.587   1.864
  212   2HB   PRO  25          1HB       PRO  25 -14.402  -3.731   1.096
  213   1HG   PRO  25          2HG       PRO  25 -11.566  -3.869   0.254
  214   2HG   PRO  25          1HG       PRO  25 -12.999  -3.464  -0.700
  215   1HD   PRO  25          2HD       PRO  25 -11.076  -1.640   0.420
  216   2HD   PRO  25          1HD       PRO  25 -12.544  -1.265  -0.486
  217    H    GLU  26           H        GLU  26 -11.179  -3.948   2.042
  218    HA   GLU  26           HA       GLU  26  -9.609  -3.111   4.343
  219   1HB   GLU  26          2HB       GLU  26 -10.216  -6.050   4.284
  220   2HB   GLU  26          1HB       GLU  26  -9.667  -5.053   5.627
  221   1HG   GLU  26          2HG       GLU  26 -11.879  -4.012   5.794
  222   2HG   GLU  26          1HG       GLU  26 -12.432  -4.920   4.384
  223    H    ALA  27           H        ALA  27  -8.859  -2.810   1.802
  224    HA   ALA  27           HA       ALA  27  -7.463  -5.231   0.898
  225   1HB   ALA  27          3HB       ALA  27  -8.217  -2.646  -0.298
  226   2HB   ALA  27          2HB       ALA  27  -6.615  -3.210  -0.773
  227   3HB   ALA  27          1HB       ALA  27  -8.029  -4.224  -1.065
  228    H    GLN  28           H        GLN  28  -5.487  -5.699   1.703
  229    HA   GLN  28           HA       GLN  28  -3.930  -3.593   3.052
  230   1HB   GLN  28          2HB       GLN  28  -2.925  -6.389   2.666
  231   2HB   GLN  28          1HB       GLN  28  -2.722  -5.309   4.047
  232   1HG   GLN  28          2HG       GLN  28  -5.380  -5.544   4.145
  233   2HG   GLN  28          1HG       GLN  28  -5.024  -7.077   3.348
  234   1HE2  GLN  28          2HE2      GLN  28  -4.143  -6.601   7.281
  235   2HE2  GLN  28          1HE2      GLN  28  -4.849  -5.349   6.379
  236    H    ILE  29           H        ILE  29  -1.396  -3.877   2.596
  237    HA   ILE  29           HA       ILE  29  -0.924  -4.273  -0.293
  238    HB   ILE  29           HB       ILE  29  -1.587  -1.911  -0.066
  239   1HG1  ILE  29          2HG1      ILE  29   1.371  -1.827  -0.475
  240   2HG1  ILE  29          1HG1      ILE  29   0.419  -2.889  -1.515
  241   1HG2  ILE  29          3HG2      ILE  29  -0.558  -1.906   2.367
  242   2HG2  ILE  29          2HG2      ILE  29   0.906  -1.404   1.524
  243   3HG2  ILE  29          1HG2      ILE  29  -0.558  -0.426   1.407
  244   1HD1  ILE  29          2HD1      ILE  29  -1.087  -0.923  -2.002
  245   2HD1  ILE  29          1HD1      ILE  29   0.064   0.095  -1.135
  246   3HD1  ILE  29          3HD1      ILE  29   0.559  -0.740  -2.606
  247    H    ILE  30           H        ILE  30   1.098  -4.980  -0.731
  248    HA   ILE  30           HA       ILE  30   2.927  -5.497   1.533
  249    HB   ILE  30           HB       ILE  30   2.752  -6.403  -1.341
  250   1HG1  ILE  30          2HG1      ILE  30   2.767  -7.799   1.349
  251   2HG1  ILE  30          1HG1      ILE  30   1.402  -7.645   0.242
  252   1HG2  ILE  30          2HG2      ILE  30   5.165  -6.090   0.229
  253   2HG2  ILE  30          1HG2      ILE  30   4.872  -7.790  -0.135
  254   3HG2  ILE  30          3HG2      ILE  30   4.983  -6.615  -1.448
  255   1HD1  ILE  30          3HD1      ILE  30   3.992  -9.056  -0.465
  256   2HD1  ILE  30          2HD1      ILE  30   2.552  -9.884   0.128
  257   3HD1  ILE  30          1HD1      ILE  30   2.505  -9.027  -1.411
  258    H    VAL  31           H        VAL  31   4.455  -3.928   1.969
  259    HA   VAL  31           HA       VAL  31   5.254  -2.129  -0.259
  260    HB   VAL  31           HB       VAL  31   5.994  -1.816   2.655
  261   1HG1  VAL  31          1HG1      VAL  31   6.400  -0.321   0.197
  262   2HG1  VAL  31          3HG1      VAL  31   5.556   0.651   1.403
  263   3HG1  VAL  31          2HG1      VAL  31   7.120  -0.067   1.787
  264   1HG2  VAL  31          2HG2      VAL  31   3.481  -0.966   1.196
  265   2HG2  VAL  31          1HG2      VAL  31   3.595  -1.945   2.658
  266   3HG2  VAL  31          3HG2      VAL  31   4.005  -0.231   2.711
  267    H    LEU  32           H        LEU  32   7.391  -2.008  -0.960
  268    HA   LEU  32           HA       LEU  32   9.443  -3.603   0.478
  269   1HB   LEU  32          2HB       LEU  32  10.064  -4.871  -1.462
  270   2HB   LEU  32          1HB       LEU  32   8.328  -5.058  -1.290
  271    HG   LEU  32           HG       LEU  32   9.038  -2.744  -2.910
  272   1HD1  LEU  32          1HD1      LEU  32  10.906  -4.591  -3.236
  273   2HD1  LEU  32          3HD1      LEU  32   9.650  -5.405  -4.165
  274   3HD1  LEU  32          2HD1      LEU  32  10.204  -3.802  -4.643
  275   1HD2  LEU  32          3HD2      LEU  32   6.915  -4.466  -2.558
  276   2HD2  LEU  32          2HD2      LEU  32   7.092  -3.379  -3.933
  277   3HD2  LEU  32          1HD2      LEU  32   7.610  -5.060  -4.065
  278    HA   PRO  33           HA       PRO  33  12.074  -0.354  -0.774
  279   1HB   PRO  33          2HB       PRO  33  14.480  -1.657  -0.887
  280   2HB   PRO  33          1HB       PRO  33  13.643  -1.266   0.624
  281   1HG   PRO  33          2HG       PRO  33  13.929  -3.901  -0.731
  282   2HG   PRO  33          1HG       PRO  33  13.683  -3.542   0.987
  283   1HD   PRO  33          2HD       PRO  33  11.699  -4.406  -0.842
  284   2HD   PRO  33          1HD       PRO  33  11.410  -3.771   0.790
  285    H    VAL  34           H        VAL  34  10.981  -2.328  -3.018
  286    HA   VAL  34           HA       VAL  34  11.053  -2.226  -5.359
  287    HB   VAL  34           HB       VAL  34  13.329  -0.287  -4.873
  288   1HG1  VAL  34          2HG1      VAL  34  12.516  -1.726  -7.263
  289   2HG1  VAL  34          1HG1      VAL  34  12.365   0.020  -7.469
  290   3HG1  VAL  34          3HG1      VAL  34  13.915  -0.683  -7.006
  291   1HG2  VAL  34          3HG2      VAL  34  10.401  -0.060  -5.572
  292   2HG2  VAL  34          2HG2      VAL  34  11.275   0.729  -4.256
  293   3HG2  VAL  34          1HG2      VAL  34  11.536   1.246  -5.923
  294    H    GLY  35           H        GLY  35  14.499  -2.004  -4.456
  295   1HA   GLY  35          2HA       GLY  35  15.931  -3.470  -6.056
  296   2HA   GLY  35          1HA       GLY  35  16.026  -3.878  -4.348
  297    H    THR  36           H        THR  36  13.739  -5.266  -3.842
  298    HA   THR  36           HA       THR  36  14.217  -7.850  -4.730
  299    HB   THR  36           HB       THR  36  11.556  -6.593  -4.040
  300    HG1  THR  36           HG1      THR  36  12.718  -6.595  -2.243
  301   1HG2  THR  36          2HG2      THR  36  12.367  -9.434  -4.614
  302   2HG2  THR  36          1HG2      THR  36  11.030  -9.084  -3.517
  303   3HG2  THR  36          3HG2      THR  36  10.957  -8.550  -5.197
  304    H    ILE  37           H        ILE  37  11.154  -6.677  -5.858
  305    HA   ILE  37           HA       ILE  37  10.106  -7.117  -7.924
  306    HB   ILE  37           HB       ILE  37  11.366  -5.971  -9.832
  307   1HG1  ILE  37          2HG1      ILE  37  13.214  -5.234  -7.540
  308   2HG1  ILE  37          1HG1      ILE  37  13.637  -6.299  -8.881
  309   1HG2  ILE  37          2HG2      ILE  37  10.395  -4.763  -7.294
  310   2HG2  ILE  37          1HG2      ILE  37  11.284  -3.698  -8.383
  311   3HG2  ILE  37          3HG2      ILE  37   9.829  -4.519  -8.947
  312   1HD1  ILE  37          2HD1      ILE  37  12.510  -3.666  -9.641
  313   2HD1  ILE  37          1HD1      ILE  37  14.111  -3.628  -8.904
  314   3HD1  ILE  37          3HD1      ILE  37  13.835  -4.575 -10.366
  315    H    VAL  38           H        VAL  38  10.274  -9.415  -7.957
  316    HA   VAL  38           HA       VAL  38  10.781 -11.411  -9.056
  317    HB   VAL  38           HB       VAL  38  12.623  -9.747 -10.796
  318   1HG1  VAL  38          1HG1      VAL  38  11.222 -12.413 -11.152
  319   2HG1  VAL  38          3HG1      VAL  38  12.066 -11.558 -12.443
  320   3HG1  VAL  38          2HG1      VAL  38  12.961 -12.144 -11.041
  321   1HG2  VAL  38          3HG2      VAL  38   9.646 -10.102 -10.747
  322   2HG2  VAL  38          2HG2      VAL  38  10.593  -8.661 -11.117
  323   3HG2  VAL  38          1HG2      VAL  38  10.460  -9.958 -12.305
  324    H    THR  39           H        THR  39  14.005 -10.405  -9.928
  325    HA   THR  39           HA       THR  39  15.081 -12.338  -7.998
  326    HB   THR  39           HB       THR  39  15.897 -12.059 -10.407
  327    HG1  THR  39           HG1      THR  39  17.507 -13.081  -9.580
  328   1HG2  THR  39          1HG2      THR  39  16.183  -9.399  -9.578
  329   2HG2  THR  39          3HG2      THR  39  17.831 -10.022  -9.665
  330   3HG2  THR  39          2HG2      THR  39  16.783 -10.101 -11.082
  331   1H    GLU  41          1H        GLU  41 -15.712  -7.301  -9.232
  332   2H    GLU  41          3H        GLU  41 -14.933  -6.138 -10.189
  333   3H    GLU  41          2H        GLU  41 -15.458  -7.595 -10.886
  334    HA   GLU  41           HA       GLU  41 -13.671  -8.736 -10.219
  335   1HB   GLU  41          2HB       GLU  41 -13.026  -5.892 -10.445
  336   2HB   GLU  41          1HB       GLU  41 -11.875  -6.763  -9.431
  337   1HG   GLU  41          2HG       GLU  41 -11.149  -6.850 -11.770
  338   2HG   GLU  41          1HG       GLU  41 -11.613  -8.461 -11.226
  339    H    TYR  42           H        TYR  42 -12.671  -9.716  -8.444
  340    HA   TYR  42           HA       TYR  42 -13.842  -9.385  -5.875
  341   1HB   TYR  42          2HB       TYR  42 -12.015 -10.835  -5.064
  342   2HB   TYR  42          1HB       TYR  42 -12.686 -11.453  -6.572
  343    HD1  TYR  42           HD1      TYR  42 -11.457 -11.169  -8.710
  344    HD2  TYR  42           HD2      TYR  42  -9.766  -9.968  -4.950
  345    HE1  TYR  42           HE1      TYR  42  -9.219 -11.055  -9.754
  346    HE2  TYR  42           HE2      TYR  42  -7.527  -9.855  -5.994
  347    HH   TYR  42           HH       TYR  42  -6.331 -10.672  -7.872
  348    H    ARG  43           H        ARG  43 -11.526  -9.300  -4.152
  349    HA   ARG  43           HA       ARG  43 -10.298  -6.655  -4.646
  350   1HB   ARG  43          2HB       ARG  43 -11.112  -5.656  -2.617
  351   2HB   ARG  43          1HB       ARG  43 -12.518  -6.279  -3.475
  352   1HG   ARG  43          2HG       ARG  43 -11.961  -8.458  -2.021
  353   2HG   ARG  43          1HG       ARG  43 -11.252  -7.248  -0.946
  354   1HD   ARG  43          2HD       ARG  43 -13.365  -7.003  -0.154
  355   2HD   ARG  43          1HD       ARG  43 -13.647  -6.073  -1.626
  356    HE   ARG  43           HE       ARG  43 -14.503  -8.872  -1.156
  357   1HH1  ARG  43          1HH2      ARG  43 -15.426  -5.956  -2.405
  358   2HH1  ARG  43          2HH2      ARG  43 -16.055  -6.566  -3.899
  359   1HH2  ARG  43          2HH1      ARG  43 -14.780  -9.759  -3.433
  360   2HH2  ARG  43          1HH1      ARG  43 -15.685  -8.720  -4.484
  361    H    ILE  44           H        ILE  44  -8.576  -8.550  -4.743
  362    HA   ILE  44           HA       ILE  44  -7.760  -9.964  -2.465
  363    HB   ILE  44           HB       ILE  44  -6.506 -10.315  -4.492
  364   1HG1  ILE  44          2HG1      ILE  44  -4.360  -8.886  -3.068
  365   2HG1  ILE  44          1HG1      ILE  44  -5.354  -9.891  -2.010
  366   1HG2  ILE  44          3HG2      ILE  44  -6.459  -7.380  -4.481
  367   2HG2  ILE  44          2HG2      ILE  44  -4.888  -8.089  -4.857
  368   3HG2  ILE  44          1HG2      ILE  44  -6.296  -8.495  -5.838
  369   1HD1  ILE  44          2HD1      ILE  44  -5.052 -11.715  -3.849
  370   2HD1  ILE  44          1HD1      ILE  44  -3.705 -10.718  -4.399
  371   3HD1  ILE  44          3HD1      ILE  44  -3.698 -11.389  -2.768
  372    H    ASP  45           H        ASP  45  -6.793  -9.370  -0.549
  373    HA   ASP  45           HA       ASP  45  -6.717  -6.480  -0.040
  374   1HB   ASP  45          2HB       ASP  45  -6.800  -7.025   2.252
  375   2HB   ASP  45          1HB       ASP  45  -7.754  -8.293   1.477
  376    H    ARG  46           H        ARG  46  -4.790  -7.114  -1.811
  377    HA   ARG  46           HA       ARG  46  -2.336  -6.477  -0.299
  378   1HB   ARG  46          2HB       ARG  46  -2.535  -9.039  -0.622
  379   2HB   ARG  46          1HB       ARG  46  -2.257  -8.711  -2.333
  380   1HG   ARG  46          2HG       ARG  46  -0.118  -7.731  -1.896
  381   2HG   ARG  46          1HG       ARG  46  -0.425  -7.680  -0.158
  382   1HD   ARG  46          2HD       ARG  46   0.696  -9.651  -0.093
  383   2HD   ARG  46          1HD       ARG  46  -0.797 -10.345  -0.726
  384    HE   ARG  46           HE       ARG  46   1.172  -9.338  -2.700
  385   1HH1  ARG  46          2HH1      ARG  46  -1.108 -11.158  -3.403
  386   2HH1  ARG  46          1HH1      ARG  46  -0.320 -12.696  -3.517
  387   1HH2  ARG  46          1HH2      ARG  46   2.523 -11.664  -1.822
  388   2HH2  ARG  46          2HH2      ARG  46   1.733 -12.984  -2.620
  389    H    VAL  47           H        VAL  47  -0.769  -5.460  -1.648
  390    HA   VAL  47           HA       VAL  47  -1.375  -5.061  -4.499
  391    HB   VAL  47           HB       VAL  47  -1.298  -2.727  -2.560
  392   1HG1  VAL  47          2HG1      VAL  47  -1.242  -3.002  -5.544
  393   2HG1  VAL  47          1HG1      VAL  47  -2.107  -1.643  -4.834
  394   3HG1  VAL  47          3HG1      VAL  47  -0.386  -1.855  -4.514
  395   1HG2  VAL  47          3HG2      VAL  47  -3.531  -3.924  -4.226
  396   2HG2  VAL  47          2HG2      VAL  47  -3.428  -3.925  -2.465
  397   3HG2  VAL  47          1HG2      VAL  47  -3.645  -2.406  -3.336
  398    H    ARG  48           H        ARG  48   0.488  -3.660  -5.480
  399    HA   ARG  48           HA       ARG  48   2.987  -4.540  -4.132
  400   1HB   ARG  48          2HB       ARG  48   2.207  -3.999  -6.943
  401   2HB   ARG  48          1HB       ARG  48   3.875  -3.640  -6.486
  402   1HG   ARG  48          2HG       ARG  48   2.439  -6.290  -6.110
  403   2HG   ARG  48          1HG       ARG  48   3.720  -5.958  -7.274
  404   1HD   ARG  48          2HD       ARG  48   5.143  -5.284  -5.215
  405   2HD   ARG  48          1HD       ARG  48   3.919  -6.126  -4.262
  406    HE   ARG  48           HE       ARG  48   5.575  -7.443  -6.377
  407   1HH1  ARG  48          1HH2      ARG  48   3.025  -8.821  -5.557
  408   2HH1  ARG  48          2HH2      ARG  48   3.579  -9.880  -4.304
  409   1HH2  ARG  48          2HH1      ARG  48   6.589  -8.213  -3.864
  410   2HH2  ARG  48          1HH1      ARG  48   5.598  -9.537  -3.349
  411    H    LEU  49           H        LEU  49   2.996  -2.801  -2.554
  412    HA   LEU  49           HA       LEU  49   3.252  -0.075  -3.623
  413   1HB   LEU  49          2HB       LEU  49   2.172  -0.124  -1.501
  414   2HB   LEU  49          1HB       LEU  49   3.394  -1.199  -0.820
  415    HG   LEU  49           HG       LEU  49   5.043   0.515  -0.786
  416   1HD1  LEU  49          1HD1      LEU  49   4.486   1.392  -3.099
  417   2HD1  LEU  49          3HD1      LEU  49   3.160   2.298  -2.366
  418   3HD1  LEU  49          2HD1      LEU  49   4.826   2.653  -1.913
  419   1HD2  LEU  49          1HD2      LEU  49   2.315   1.318   0.114
  420   2HD2  LEU  49          3HD2      LEU  49   3.771   1.035   1.067
  421   3HD2  LEU  49          2HD2      LEU  49   3.583   2.542   0.168
  422    H    PHE  50           H        PHE  50   5.094  -0.008  -4.805
  423    HA   PHE  50           HA       PHE  50   7.641  -0.995  -3.651
  424   1HB   PHE  50          2HB       PHE  50   6.742   0.098  -6.319
  425   2HB   PHE  50          1HB       PHE  50   8.463  -0.112  -5.944
  426    HD1  PHE  50           HD2      PHE  50   9.262  -2.424  -5.240
  427    HD2  PHE  50           HD1      PHE  50   5.395  -1.746  -6.976
  428    HE1  PHE  50           HE2      PHE  50   9.103  -4.829  -5.845
  429    HE2  PHE  50           HE1      PHE  50   5.250  -4.142  -7.588
  430    HZ   PHE  50           HZ       PHE  50   7.101  -5.682  -7.019
  431    H    VAL  51           H        VAL  51   9.055   0.489  -2.669
  432    HA   VAL  51           HA       VAL  51   8.115   3.278  -2.488
  433    HB   VAL  51           HB       VAL  51  10.073   3.489  -0.877
  434   1HG1  VAL  51          2HG1      VAL  51   7.581   2.690  -0.421
  435   2HG1  VAL  51          1HG1      VAL  51   8.383   1.169  -0.027
  436   3HG1  VAL  51          3HG1      VAL  51   8.796   2.639   0.858
  437   1HG2  VAL  51          2HG2      VAL  51  10.759   1.025  -2.099
  438   2HG2  VAL  51          1HG2      VAL  51  11.594   1.836  -0.775
  439   3HG2  VAL  51          3HG2      VAL  51  10.331   0.656  -0.429
  440    H    ASP  52           H        ASP  52  10.083   4.940  -2.439
  441    HA   ASP  52           HA       ASP  52  11.513   4.550  -5.025
  442   1HB   ASP  52          2HB       ASP  52  11.305   6.822  -5.448
  443   2HB   ASP  52          1HB       ASP  52   9.837   6.538  -4.520
  444    H    LYS  53           H        LYS  53  13.261   6.834  -4.435
  445    HA   LYS  53           HA       LYS  53  15.406   5.407  -3.125
  446   1HB   LYS  53          2HB       LYS  53  15.259   8.347  -3.793
  447   2HB   LYS  53          1HB       LYS  53  16.704   7.338  -3.702
  448   1HG   LYS  53          2HG       LYS  53  14.516   6.627  -5.651
  449   2HG   LYS  53          1HG       LYS  53  15.651   7.918  -6.050
  450   1HD   LYS  53          2HD       LYS  53  17.228   5.809  -5.031
  451   2HD   LYS  53          1HD       LYS  53  16.069   5.062  -6.132
  452   1HE   LYS  53          2HE       LYS  53  17.259   5.812  -7.887
  453   2HE   LYS  53          1HE       LYS  53  16.982   7.470  -7.355
  454   1HZ   LYS  53          3HZ       LYS  53  19.018   5.935  -5.939
  455   2HZ   LYS  53          2HZ       LYS  53  19.389   6.430  -7.520
  456   3HZ   LYS  53          1HZ       LYS  53  18.986   7.581  -6.338
  457    H    LEU  54           H        LEU  54  13.451   8.295  -2.326
  458    HA   LEU  54           HA       LEU  54  14.470   8.184   0.467
  459   1HB   LEU  54          2HB       LEU  54  14.103  10.329  -1.152
  460   2HB   LEU  54          1HB       LEU  54  12.532  10.279  -0.349
  461    HG   LEU  54           HG       LEU  54  13.913  11.654   1.034
  462   1HD1  LEU  54          1HD1      LEU  54  13.935   8.833   2.155
  463   2HD1  LEU  54          3HD1      LEU  54  14.140  10.307   3.102
  464   3HD1  LEU  54          2HD1      LEU  54  12.607   9.987   2.290
  465   1HD2  LEU  54          2HD2      LEU  54  16.003  10.253  -0.112
  466   2HD2  LEU  54          1HD2      LEU  54  16.165  11.420   1.201
  467   3HD2  LEU  54          3HD2      LEU  54  16.042   9.698   1.562
  468    H    ASP  55           H        ASP  55  12.654   6.127  -0.421
  469    HA   ASP  55           HA       ASP  55  10.601   5.137   0.148
  470   1HB   ASP  55          2HB       ASP  55   9.992   6.518   2.578
  471   2HB   ASP  55          1HB       ASP  55  10.636   4.886   2.381
  472    H    ASN  56           H        ASN  56   9.845   6.615  -1.690
  473    HA   ASN  56           HA       ASN  56   7.586   8.256  -0.675
  474   1HB   ASN  56          2HB       ASN  56   8.963  10.003  -1.382
  475   2HB   ASN  56          1HB       ASN  56   9.717   9.028  -2.640
  476   1HD2  ASN  56          2HD2      ASN  56   7.315   9.862  -5.107
  477   2HD2  ASN  56          1HD2      ASN  56   8.658   8.901  -4.713
  478    H    ILE  57           H        ILE  57   5.808   7.289  -1.359
  479    HA   ILE  57           HA       ILE  57   5.553   5.139  -3.077
  480    HB   ILE  57           HB       ILE  57   3.450   7.306  -2.889
  481   1HG1  ILE  57          2HG1      ILE  57   4.301   6.708  -0.612
  482   2HG1  ILE  57          1HG1      ILE  57   2.636   6.198  -0.868
  483   1HG2  ILE  57          1HG2      ILE  57   3.602   4.601  -3.949
  484   2HG2  ILE  57          3HG2      ILE  57   2.318   4.763  -2.748
  485   3HG2  ILE  57          2HG2      ILE  57   2.339   5.817  -4.163
  486   1HD1  ILE  57          2HD1      ILE  57   3.433   3.933  -1.457
  487   2HD1  ILE  57          1HD1      ILE  57   5.090   4.440  -1.131
  488   3HD1  ILE  57          3HD1      ILE  57   3.909   4.387   0.178
  489    H    ALA  58           H        ALA  58   6.933   5.483  -4.895
  490    HA   ALA  58           HA       ALA  58   6.249   7.654  -6.779
  491   1HB   ALA  58          2HB       ALA  58   8.578   6.132  -6.210
  492   2HB   ALA  58          1HB       ALA  58   8.100   5.725  -7.858
  493   3HB   ALA  58          3HB       ALA  58   8.400   7.406  -7.417
  494    H    GLN  59           H        GLN  59   5.703   4.257  -6.292
  495    HA   GLN  59           HA       GLN  59   4.466   4.029  -9.000
  496   1HB   GLN  59          2HB       GLN  59   6.162   2.303  -7.669
  497   2HB   GLN  59          1HB       GLN  59   4.576   1.616  -7.317
  498   1HG   GLN  59          2HG       GLN  59   4.067   1.318  -9.603
  499   2HG   GLN  59          1HG       GLN  59   5.340   2.425 -10.119
  500   1HE2  GLN  59          2HE2      GLN  59   6.687  -0.981 -10.672
  501   2HE2  GLN  59          1HE2      GLN  59   5.450  -0.020 -11.329
  502    H    VAL  60           H        VAL  60   2.248   3.997  -9.113
  503    HA   VAL  60           HA       VAL  60   0.741   4.239  -6.618
  504    HB   VAL  60           HB       VAL  60  -0.212   4.126  -9.490
  505   1HG1  VAL  60          1HG1      VAL  60  -1.665   3.656  -7.182
  506   2HG1  VAL  60          3HG1      VAL  60  -1.903   5.386  -7.446
  507   3HG1  VAL  60          2HG1      VAL  60  -2.338   4.235  -8.710
  508   1HG2  VAL  60          3HG2      VAL  60   0.585   6.336  -7.606
  509   2HG2  VAL  60          2HG2      VAL  60   0.962   6.146  -9.319
  510   3HG2  VAL  60          1HG2      VAL  60  -0.657   6.635  -8.823
  511    HA   PRO  61           HA       PRO  61  -0.113  -0.143  -6.562
  512   1HB   PRO  61          2HB       PRO  61  -1.472  -0.083  -4.180
  513   2HB   PRO  61          1HB       PRO  61   0.293  -0.055  -4.295
  514   1HG   PRO  61          2HG       PRO  61  -1.580   2.155  -3.608
  515   2HG   PRO  61          1HG       PRO  61   0.127   1.958  -3.178
  516   1HD   PRO  61          2HD       PRO  61  -0.910   3.628  -5.231
  517   2HD   PRO  61          1HD       PRO  61   0.800   3.225  -4.958
  518    H    ARG  62           H        ARG  62  -2.106  -1.466  -6.672
  519    HA   ARG  62           HA       ARG  62  -4.673  -0.025  -6.746
  520   1HB   ARG  62          2HB       ARG  62  -3.193  -0.550  -9.130
  521   2HB   ARG  62          1HB       ARG  62  -4.615  -1.596  -9.126
  522   1HG   ARG  62          2HG       ARG  62  -5.545   0.323 -10.030
  523   2HG   ARG  62          1HG       ARG  62  -5.817   0.634  -8.315
  524   1HD   ARG  62          2HD       ARG  62  -4.177   2.251  -8.201
  525   2HD   ARG  62          1HD       ARG  62  -3.198   1.490  -9.456
  526    HE   ARG  62           HE       ARG  62  -5.750   2.814 -10.233
  527   1HH1  ARG  62          2HH1      ARG  62  -2.889   1.720 -11.451
  528   2HH1  ARG  62          1HH1      ARG  62  -2.423   3.190 -12.239
  529   1HH2  ARG  62          1HH2      ARG  62  -4.914   5.090 -10.752
  530   2HH2  ARG  62          2HH2      ARG  62  -3.570   5.097 -11.845
  531    H    VAL  63           H        VAL  63  -6.256  -1.330  -5.960
  532    HA   VAL  63           HA       VAL  63  -5.640  -4.238  -5.713
  533    HB   VAL  63           HB       VAL  63  -6.782  -2.254  -3.911
  534   1HG1  VAL  63          1HG1      VAL  63  -8.421  -4.720  -4.503
  535   2HG1  VAL  63          3HG1      VAL  63  -8.465  -3.932  -2.925
  536   3HG1  VAL  63          2HG1      VAL  63  -8.971  -3.049  -4.366
  537   1HG2  VAL  63          3HG2      VAL  63  -5.206  -4.653  -3.885
  538   2HG2  VAL  63          2HG2      VAL  63  -5.380  -3.439  -2.619
  539   3HG2  VAL  63          1HG2      VAL  63  -6.497  -4.800  -2.692
  540    H    GLY  64           H        GLY  64  -6.791  -5.597  -6.991
  541   1HA   GLY  64          2HA       GLY  64  -8.641  -4.796  -8.940
  542   2HA   GLY  64          1HA       GLY  64  -8.552  -6.439  -8.302
   
  No H/Q in entry =         542
  Start of MODEL           5
 Raw file had  552 H/Q atoms
  Start of MODEL    5
    1   1H    MET   1          3H        MET   1 -12.842   2.195  -3.903
    2   2H    MET   1          2H        MET   1 -14.230   2.323  -2.931
    3   3H    MET   1          1H        MET   1 -14.305   2.725  -4.580
    4    HA   MET   1           HA       MET   1 -13.934   4.817  -4.008
    5   1HB   MET   1          2HB       MET   1 -13.532   3.507  -1.358
    6   2HB   MET   1          1HB       MET   1 -12.977   5.171  -1.547
    7   1HG   MET   1          2HG       MET   1 -15.771   4.191  -2.203
    8   2HG   MET   1          1HG       MET   1 -15.325   5.068  -0.740
    9   1HE   MET   1          1HE       MET   1 -17.512   5.826  -2.125
   10   2HE   MET   1          3HE       MET   1 -17.474   7.412  -2.907
   11   3HE   MET   1          2HE       MET   1 -17.279   5.947  -3.867
   12    H    LYS   2           H        LYS   2 -11.377   4.240  -1.778
   13    HA   LYS   2           HA       LYS   2  -9.454   5.289  -3.740
   14   1HB   LYS   2          2HB       LYS   2  -9.658   5.165  -0.840
   15   2HB   LYS   2          1HB       LYS   2  -8.065   4.646  -1.393
   16   1HG   LYS   2          2HG       LYS   2  -9.452   7.229  -2.176
   17   2HG   LYS   2          1HG       LYS   2  -8.112   7.085  -1.038
   18   1HD   LYS   2          2HD       LYS   2  -6.806   5.975  -2.940
   19   2HD   LYS   2          1HD       LYS   2  -8.088   6.542  -4.012
   20   1HE   LYS   2          2HE       LYS   2  -6.409   8.239  -4.066
   21   2HE   LYS   2          1HE       LYS   2  -7.690   8.867  -3.030
   22   1HZ   LYS   2          2HZ       LYS   2  -6.396   7.905  -1.123
   23   2HZ   LYS   2          1HZ       LYS   2  -5.109   7.671  -2.207
   24   3HZ   LYS   2          3HZ       LYS   2  -5.679   9.238  -1.896
   25    H    THR   3           H        THR   3  -9.765   3.210  -5.036
   26    HA   THR   3           HA       THR   3  -8.216   0.906  -3.937
   27    HB   THR   3           HB       THR   3  -9.587   0.936  -6.620
   28    HG1  THR   3           HG1      THR   3 -11.285   1.517  -5.470
   29   1HG2  THR   3          1HG2      THR   3  -8.118  -0.943  -5.304
   30   2HG2  THR   3          3HG2      THR   3  -9.744  -1.349  -4.753
   31   3HG2  THR   3          2HG2      THR   3  -9.378  -1.325  -6.479
   32    H    GLU   4           H        GLU   4  -7.897   3.604  -6.065
   33    HA   GLU   4           HA       GLU   4  -5.623   2.311  -7.493
   34   1HB   GLU   4          2HB       GLU   4  -6.528   5.102  -8.122
   35   2HB   GLU   4          1HB       GLU   4  -5.900   3.857  -9.200
   36   1HG   GLU   4          2HG       GLU   4  -8.056   2.556  -8.714
   37   2HG   GLU   4          1HG       GLU   4  -8.668   4.052  -8.006
   38    H    TRP   5           H        TRP   5  -6.406   5.049  -5.377
   39    HA   TRP   5           HA       TRP   5  -4.976   6.468  -4.157
   40   1HB   TRP   5          2HB       TRP   5  -2.994   4.211  -4.590
   41   2HB   TRP   5          1HB       TRP   5  -2.877   5.479  -3.372
   42    HD1  TRP   5           HD1      TRP   5  -5.012   5.545  -1.583
   43    HE1  TRP   5           HE1      TRP   5  -6.216   3.548  -0.485
   44    HE3  TRP   5           HE3      TRP   5  -3.712   1.816  -4.840
   45    HZ2  TRP   5           HZ2      TRP   5  -6.569   0.752  -0.929
   46    HZ3  TRP   5           HZ3      TRP   5  -4.506  -0.497  -4.469
   47    HH2  TRP   5           HH2      TRP   5  -5.941  -1.029  -2.519
   48    HA   PRO   6           HA       PRO   6  -2.624   7.262  -8.157
   49   1HB   PRO   6          2HB       PRO   6  -4.339   9.063  -9.345
   50   2HB   PRO   6          1HB       PRO   6  -4.383   7.322  -9.680
   51   1HG   PRO   6          2HG       PRO   6  -6.249   8.962  -8.029
   52   2HG   PRO   6          1HG       PRO   6  -6.553   7.444  -8.891
   53   1HD   PRO   6          2HD       PRO   6  -6.115   7.708  -6.108
   54   2HD   PRO   6          1HD       PRO   6  -6.079   6.202  -7.028
   55    H    GLU   7           H        GLU   7  -4.699   9.209  -6.213
   56    HA   GLU   7           HA       GLU   7  -3.090  11.633  -6.324
   57   1HB   GLU   7          2HB       GLU   7  -5.489  10.716  -4.935
   58   2HB   GLU   7          1HB       GLU   7  -4.430  11.653  -3.880
   59   1HG   GLU   7          2HG       GLU   7  -4.880  12.715  -6.631
   60   2HG   GLU   7          1HG       GLU   7  -6.230  12.828  -5.501
   61    H    LEU   8           H        LEU   8  -2.624   8.572  -4.950
   62    HA   LEU   8           HA       LEU   8  -1.176   9.511  -2.587
   63   1HB   LEU   8          2HB       LEU   8  -2.457   7.248  -2.935
   64   2HB   LEU   8          1HB       LEU   8  -0.967   6.732  -3.724
   65    HG   LEU   8           HG       LEU   8   0.301   7.396  -1.685
   66   1HD1  LEU   8          3HD1      LEU   8  -2.182   8.653  -1.056
   67   2HD1  LEU   8          2HD1      LEU   8  -1.888   7.418   0.167
   68   3HD1  LEU   8          1HD1      LEU   8  -0.689   8.677  -0.118
   69   1HD2  LEU   8          1HD2      LEU   8  -0.973   5.086  -2.147
   70   2HD2  LEU   8          3HD2      LEU   8  -0.089   5.371  -0.648
   71   3HD2  LEU   8          2HD2      LEU   8  -1.840   5.570  -0.690
   72    H    VAL   9           H        VAL   9  -0.494   9.508  -5.833
   73    HA   VAL   9           HA       VAL   9   2.120   8.433  -5.993
   74    HB   VAL   9           HB       VAL   9   0.781  10.720  -7.444
   75   1HG1  VAL   9          1HG1      VAL   9   3.249  11.180  -7.248
   76   2HG1  VAL   9          3HG1      VAL   9   3.555   9.610  -7.999
   77   3HG1  VAL   9          2HG1      VAL   9   2.731  10.874  -8.912
   78   1HG2  VAL   9          2HG2      VAL   9   1.696   7.935  -8.221
   79   2HG2  VAL   9          1HG2      VAL   9   0.030   8.480  -8.024
   80   3HG2  VAL   9          3HG2      VAL   9   1.013   9.107  -9.347
   81    H    GLY  10           H        GLY  10   4.168   9.388  -5.726
   82   1HA   GLY  10          2HA       GLY  10   5.750  10.765  -4.702
   83   2HA   GLY  10          1HA       GLY  10   4.591  12.075  -4.926
   84    H    LYS  11           H        LYS  11   3.171   9.552  -3.151
   85    HA   LYS  11           HA       LYS  11   3.438  11.174  -0.694
   86   1HB   LYS  11          2HB       LYS  11   1.285   9.900  -1.759
   87   2HB   LYS  11          1HB       LYS  11   1.855   8.668  -0.630
   88   1HG   LYS  11          2HG       LYS  11   0.271  10.138   0.510
   89   2HG   LYS  11          1HG       LYS  11   1.884  10.398   1.173
   90   1HD   LYS  11          2HD       LYS  11   2.155  12.443   0.027
   91   2HD   LYS  11          1HD       LYS  11   0.854  12.080  -1.108
   92   1HE   LYS  11          2HE       LYS  11  -0.817  12.341   0.621
   93   2HE   LYS  11          1HE       LYS  11   0.426  12.493   1.864
   94   1HZ   LYS  11          1HZ       LYS  11   0.884  14.363  -0.203
   95   2HZ   LYS  11          3HZ       LYS  11  -0.708  14.521   0.360
   96   3HZ   LYS  11          2HZ       LYS  11   0.594  14.645   1.448
   97    H    SER  12           H        SER  12   2.917   8.657   0.926
   98    HA   SER  12           HA       SER  12   5.534   7.287   0.655
   99   1HB   SER  12          2HB       SER  12   4.818   9.213   2.758
  100   2HB   SER  12          1HB       SER  12   5.410   7.670   3.374
  101    HG   SER  12           HG       SER  12   6.951   9.483   2.716
  102    H    VAL  13           H        VAL  13   5.637   5.332   2.022
  103    HA   VAL  13           HA       VAL  13   3.354   3.705   1.838
  104    HB   VAL  13           HB       VAL  13   5.702   3.548   3.742
  105   1HG1  VAL  13          1HG1      VAL  13   3.324   1.739   3.344
  106   2HG1  VAL  13          3HG1      VAL  13   4.877   1.082   3.864
  107   3HG1  VAL  13          2HG1      VAL  13   4.053   2.287   4.855
  108   1HG2  VAL  13          2HG2      VAL  13   5.612   3.191   1.043
  109   2HG2  VAL  13          1HG2      VAL  13   6.730   2.329   2.101
  110   3HG2  VAL  13          3HG2      VAL  13   5.223   1.562   1.595
  111    H    GLU  14           H        GLU  14   4.318   5.934   4.390
  112    HA   GLU  14           HA       GLU  14   2.741   5.190   6.536
  113   1HB   GLU  14          2HB       GLU  14   3.661   7.765   5.434
  114   2HB   GLU  14          1HB       GLU  14   2.203   7.890   6.420
  115   1HG   GLU  14          2HG       GLU  14   3.425   6.476   8.162
  116   2HG   GLU  14          1HG       GLU  14   4.890   6.759   7.221
  117    H    GLU  15           H        GLU  15   1.484   7.625   4.260
  118    HA   GLU  15           HA       GLU  15  -1.254   7.147   4.878
  119   1HB   GLU  15          2HB       GLU  15   0.273   8.722   2.974
  120   2HB   GLU  15          1HB       GLU  15  -1.178   8.053   2.227
  121   1HG   GLU  15          2HG       GLU  15  -2.209   9.846   3.173
  122   2HG   GLU  15          1HG       GLU  15  -2.166   8.862   4.638
  123    H    ALA  16           H        ALA  16   0.862   5.723   2.398
  124    HA   ALA  16           HA       ALA  16  -1.172   4.379   0.938
  125   1HB   ALA  16          1HB       ALA  16   1.622   4.489   0.854
  126   2HB   ALA  16          3HB       ALA  16   1.259   2.789   1.145
  127   3HB   ALA  16          2HB       ALA  16   0.575   3.606  -0.257
  128    H    LYS  17           H        LYS  17   1.072   2.459   2.949
  129    HA   LYS  17           HA       LYS  17  -0.648   0.307   3.337
  130   1HB   LYS  17          2HB       LYS  17   1.749   0.437   4.094
  131   2HB   LYS  17          1HB       LYS  17   1.209   1.400   5.468
  132   1HG   LYS  17          2HG       LYS  17   0.824  -0.534   6.559
  133   2HG   LYS  17          1HG       LYS  17  -0.504  -0.819   5.433
  134   1HD   LYS  17          2HD       LYS  17   0.623  -2.617   4.676
  135   2HD   LYS  17          1HD       LYS  17   1.819  -1.503   4.012
  136   1HE   LYS  17          2HE       LYS  17   1.888  -2.456   6.883
  137   2HE   LYS  17          1HE       LYS  17   2.747  -3.278   5.580
  138   1HZ   LYS  17          3HZ       LYS  17   3.161  -0.438   5.601
  139   2HZ   LYS  17          2HZ       LYS  17   3.700  -1.193   7.024
  140   3HZ   LYS  17          1HZ       LYS  17   4.295  -1.697   5.513
  141    H    LYS  18           H        LYS  18  -0.632   3.402   4.990
  142    HA   LYS  18           HA       LYS  18  -2.345   2.818   7.167
  143   1HB   LYS  18          2HB       LYS  18  -1.677   5.260   5.577
  144   2HB   LYS  18          1HB       LYS  18  -3.036   5.336   6.703
  145   1HG   LYS  18          2HG       LYS  18  -1.645   4.703   8.566
  146   2HG   LYS  18          1HG       LYS  18  -0.291   4.333   7.496
  147   1HD   LYS  18          2HD       LYS  18   0.294   6.464   8.223
  148   2HD   LYS  18          1HD       LYS  18  -0.590   6.844   6.745
  149   1HE   LYS  18          2HE       LYS  18  -2.336   7.777   7.873
  150   2HE   LYS  18          1HE       LYS  18  -2.265   6.581   9.167
  151   1HZ   LYS  18          1HZ       LYS  18   0.050   7.952   9.464
  152   2HZ   LYS  18          3HZ       LYS  18  -1.035   9.170   8.999
  153   3HZ   LYS  18          2HZ       LYS  18  -1.368   8.212  10.363
  154    H    VAL  19           H        VAL  19  -3.570   4.922   4.649
  155    HA   VAL  19           HA       VAL  19  -6.282   4.185   5.005
  156    HB   VAL  19           HB       VAL  19  -5.192   5.164   2.367
  157   1HG1  VAL  19          1HG1      VAL  19  -7.736   4.716   3.249
  158   2HG1  VAL  19          3HG1      VAL  19  -7.520   6.407   3.703
  159   3HG1  VAL  19          2HG1      VAL  19  -7.317   5.911   2.023
  160   1HG2  VAL  19          2HG2      VAL  19  -5.308   6.590   5.027
  161   2HG2  VAL  19          1HG2      VAL  19  -3.983   6.550   3.862
  162   3HG2  VAL  19          3HG2      VAL  19  -5.440   7.484   3.513
  163    H    ILE  20           H        ILE  20  -3.893   2.983   2.680
  164    HA   ILE  20           HA       ILE  20  -5.486   1.403   1.041
  165    HB   ILE  20           HB       ILE  20  -2.751   0.792   2.194
  166   1HG1  ILE  20          2HG1      ILE  20  -1.845   1.926   0.434
  167   2HG1  ILE  20          1HG1      ILE  20  -3.100   1.409  -0.684
  168   1HG2  ILE  20          2HG2      ILE  20  -4.563  -0.758   0.457
  169   2HG2  ILE  20          1HG2      ILE  20  -2.913  -0.599  -0.146
  170   3HG2  ILE  20          3HG2      ILE  20  -3.206  -1.300   1.446
  171   1HD1  ILE  20          2HD1      ILE  20  -4.623   3.091   0.558
  172   2HD1  ILE  20          1HD1      ILE  20  -3.130   3.732   1.242
  173   3HD1  ILE  20          3HD1      ILE  20  -3.378   3.748  -0.499
  174    H    LEU  21           H        LEU  21  -3.999   0.408   4.149
  175    HA   LEU  21           HA       LEU  21  -4.859  -2.170   4.446
  176   1HB   LEU  21          2HB       LEU  21  -3.697  -1.058   6.253
  177   2HB   LEU  21          1HB       LEU  21  -5.055   0.045   6.506
  178    HG   LEU  21           HG       LEU  21  -5.996  -2.679   6.596
  179   1HD1  LEU  21          1HD1      LEU  21  -3.385  -2.194   7.812
  180   2HD1  LEU  21          3HD1      LEU  21  -4.585  -2.706   8.999
  181   3HD1  LEU  21          2HD1      LEU  21  -4.251  -3.715   7.591
  182   1HD2  LEU  21          3HD2      LEU  21  -6.763  -0.361   7.652
  183   2HD2  LEU  21          2HD2      LEU  21  -7.133  -1.887   8.456
  184   3HD2  LEU  21          1HD2      LEU  21  -5.770  -0.910   9.004
  185    H    GLN  22           H        GLN  22  -6.953   0.692   4.791
  186    HA   GLN  22           HA       GLN  22  -9.278  -1.117   4.381
  187   1HB   GLN  22          2HB       GLN  22  -8.631   0.227   6.843
  188   2HB   GLN  22          1HB       GLN  22 -10.126   0.892   6.186
  189   1HG   GLN  22          2HG       GLN  22 -11.205  -1.212   6.176
  190   2HG   GLN  22          1HG       GLN  22  -9.683  -2.095   6.312
  191   1HE2  GLN  22          2HE2      GLN  22 -11.332  -0.420   9.686
  192   2HE2  GLN  22          1HE2      GLN  22 -11.812   0.140   8.158
  193    H    ASP  23           H        ASP  23  -8.038   0.591   2.499
  194    HA   ASP  23           HA       ASP  23  -9.065   3.184   2.219
  195   1HB   ASP  23          2HB       ASP  23  -8.833   2.813  -0.232
  196   2HB   ASP  23          1HB       ASP  23  -7.421   2.250   0.663
  197    H    LYS  24           H        LYS  24 -10.566   0.083   1.314
  198    HA   LYS  24           HA       LYS  24 -13.162   1.526   1.243
  199   1HB   LYS  24          2HB       LYS  24 -13.427  -0.548  -0.629
  200   2HB   LYS  24          1HB       LYS  24 -13.305   1.170  -0.967
  201   1HG   LYS  24          2HG       LYS  24 -10.841   1.015  -0.999
  202   2HG   LYS  24          1HG       LYS  24 -10.933  -0.713  -0.707
  203   1HD   LYS  24          2HD       LYS  24 -11.819   0.813  -3.153
  204   2HD   LYS  24          1HD       LYS  24 -10.616  -0.477  -3.048
  205   1HE   LYS  24          2HE       LYS  24 -12.344  -2.109  -2.533
  206   2HE   LYS  24          1HE       LYS  24 -13.569  -0.844  -2.452
  207   1HZ   LYS  24          3HZ       LYS  24 -11.966  -1.454  -4.872
  208   2HZ   LYS  24          2HZ       LYS  24 -13.531  -2.053  -4.589
  209   3HZ   LYS  24          1HZ       LYS  24 -13.276  -0.382  -4.759
  210    HA   PRO  25           HA       PRO  25 -14.277  -2.644   2.964
  211   1HB   PRO  25          2HB       PRO  25 -13.094  -4.969   2.124
  212   2HB   PRO  25          1HB       PRO  25 -14.423  -4.205   1.234
  213   1HG   PRO  25          2HG       PRO  25 -11.549  -4.355   0.520
  214   2HG   PRO  25          1HG       PRO  25 -12.947  -4.070  -0.524
  215   1HD   PRO  25          2HD       PRO  25 -11.111  -2.107   0.489
  216   2HD   PRO  25          1HD       PRO  25 -12.566  -1.848  -0.480
  217    H    GLU  26           H        GLU  26 -11.188  -4.159   2.269
  218    HA   GLU  26           HA       GLU  26  -9.772  -3.176   4.600
  219   1HB   GLU  26          2HB       GLU  26 -10.286  -6.146   4.548
  220   2HB   GLU  26          1HB       GLU  26  -9.701  -5.149   5.878
  221   1HG   GLU  26          2HG       GLU  26 -11.918  -4.074   6.045
  222   2HG   GLU  26          1HG       GLU  26 -12.501  -5.076   4.712
  223    H    ALA  27           H        ALA  27  -8.839  -2.801   2.194
  224    HA   ALA  27           HA       ALA  27  -7.435  -5.168   1.200
  225   1HB   ALA  27          1HB       ALA  27  -7.987  -2.427   0.209
  226   2HB   ALA  27          3HB       ALA  27  -6.468  -3.145  -0.327
  227   3HB   ALA  27          2HB       ALA  27  -7.994  -3.962  -0.660
  228    H    GLN  28           H        GLN  28  -5.462  -5.738   1.936
  229    HA   GLN  28           HA       GLN  28  -3.889  -3.801   3.520
  230   1HB   GLN  28          2HB       GLN  28  -4.276  -6.445   3.875
  231   2HB   GLN  28          1HB       GLN  28  -2.826  -6.511   2.870
  232   1HG   GLN  28          2HG       GLN  28  -1.658  -6.143   4.772
  233   2HG   GLN  28          1HG       GLN  28  -2.259  -4.487   4.690
  234   1HE2  GLN  28          1HE2      GLN  28  -1.730  -5.862   7.194
  235   2HE2  GLN  28          2HE2      GLN  28  -3.213  -6.036   8.004
  236    H    ILE  29           H        ILE  29  -1.351  -3.992   2.965
  237    HA   ILE  29           HA       ILE  29  -0.959  -4.238   0.054
  238    HB   ILE  29           HB       ILE  29  -1.723  -1.908   0.460
  239   1HG1  ILE  29          2HG1      ILE  29   1.168  -1.759  -0.309
  240   2HG1  ILE  29          1HG1      ILE  29   0.069  -2.736  -1.285
  241   1HG2  ILE  29          2HG2      ILE  29  -0.685  -1.694   2.729
  242   2HG2  ILE  29          1HG2      ILE  29   0.896  -1.623   1.951
  243   3HG2  ILE  29          3HG2      ILE  29  -0.293  -0.354   1.649
  244   1HD1  ILE  29          2HD1      ILE  29  -0.568   0.118  -0.527
  245   2HD1  ILE  29          1HD1      ILE  29   0.327  -0.284  -1.991
  246   3HD1  ILE  29          3HD1      ILE  29  -1.322  -0.866  -1.779
  247    H    ILE  30           H        ILE  30   1.055  -4.847  -0.485
  248    HA   ILE  30           HA       ILE  30   2.977  -5.401   1.686
  249    HB   ILE  30           HB       ILE  30   2.475  -6.339  -1.085
  250   1HG1  ILE  30          2HG1      ILE  30   3.517  -7.574   1.475
  251   2HG1  ILE  30          1HG1      ILE  30   1.905  -7.753   0.783
  252   1HG2  ILE  30          2HG2      ILE  30   4.781  -5.358  -1.258
  253   2HG2  ILE  30          1HG2      ILE  30   5.289  -6.456   0.029
  254   3HG2  ILE  30          3HG2      ILE  30   4.725  -7.101  -1.515
  255   1HD1  ILE  30          2HD1      ILE  30   2.902  -8.862  -1.205
  256   2HD1  ILE  30          1HD1      ILE  30   4.494  -8.733  -0.456
  257   3HD1  ILE  30          3HD1      ILE  30   3.251  -9.741   0.285
  258    H    VAL  31           H        VAL  31   5.180  -4.541   1.565
  259    HA   VAL  31           HA       VAL  31   5.458  -2.266  -0.332
  260    HB   VAL  31           HB       VAL  31   4.753  -1.321   1.806
  261   1HG1  VAL  31          1HG1      VAL  31   6.228  -3.462   2.871
  262   2HG1  VAL  31          3HG1      VAL  31   7.101  -2.011   3.366
  263   3HG1  VAL  31          2HG1      VAL  31   5.398  -2.199   3.779
  264   1HG2  VAL  31          3HG2      VAL  31   6.655  -0.291   0.385
  265   2HG2  VAL  31          2HG2      VAL  31   6.485   0.278   2.045
  266   3HG2  VAL  31          1HG2      VAL  31   7.737  -0.893   1.641
  267    H    LEU  32           H        LEU  32   7.458  -2.116  -1.253
  268    HA   LEU  32           HA       LEU  32   9.784  -3.358   0.062
  269   1HB   LEU  32          2HB       LEU  32  10.368  -4.717  -1.948
  270   2HB   LEU  32          1HB       LEU  32   8.912  -5.269  -1.144
  271    HG   LEU  32           HG       LEU  32   9.009  -3.576  -3.633
  272   1HD1  LEU  32          1HD1      LEU  32   8.571  -6.495  -3.039
  273   2HD1  LEU  32          3HD1      LEU  32   7.813  -5.766  -4.454
  274   3HD1  LEU  32          2HD1      LEU  32   9.569  -5.763  -4.293
  275   1HD2  LEU  32          2HD2      LEU  32   6.837  -4.331  -1.749
  276   2HD2  LEU  32          1HD2      LEU  32   6.943  -2.950  -2.843
  277   3HD2  LEU  32          3HD2      LEU  32   6.468  -4.533  -3.463
  278    HA   PRO  33           HA       PRO  33  11.740   0.029  -1.856
  279   1HB   PRO  33          2HB       PRO  33  14.337  -0.828  -1.679
  280   2HB   PRO  33          1HB       PRO  33  13.397  -0.261  -0.288
  281   1HG   PRO  33          2HG       PRO  33  14.142  -3.054  -1.040
  282   2HG   PRO  33          1HG       PRO  33  13.840  -2.366   0.567
  283   1HD   PRO  33          2HD       PRO  33  12.024  -3.940  -0.913
  284   2HD   PRO  33          1HD       PRO  33  11.617  -2.939   0.497
  285    H    VAL  34           H        VAL  34  10.658  -1.282  -3.969
  286    HA   VAL  34           HA       VAL  34  11.003  -2.008  -6.180
  287    HB   VAL  34           HB       VAL  34  13.304  -0.047  -5.937
  288   1HG1  VAL  34          3HG1      VAL  34  13.032  -1.473  -8.046
  289   2HG1  VAL  34          2HG1      VAL  34  11.512  -0.615  -8.304
  290   3HG1  VAL  34          1HG1      VAL  34  13.035   0.275  -8.287
  291   1HG2  VAL  34          3HG2      VAL  34  10.473   0.334  -5.543
  292   2HG2  VAL  34          2HG2      VAL  34  11.763   1.533  -5.483
  293   3HG2  VAL  34          1HG2      VAL  34  10.975   1.165  -7.016
  294    H    GLY  35           H        GLY  35  14.458  -1.390  -5.864
  295   1HA   GLY  35          2HA       GLY  35  16.236  -2.884  -6.278
  296   2HA   GLY  35          1HA       GLY  35  15.492  -3.774  -4.948
  297    H    THR  36           H        THR  36  15.990  -5.819  -5.887
  298    HA   THR  36           HA       THR  36  14.798  -6.417  -8.538
  299    HB   THR  36           HB       THR  36  17.028  -7.271  -8.270
  300    HG1  THR  36           HG1      THR  36  16.032  -8.862  -9.261
  301   1HG2  THR  36          1HG2      THR  36  15.983  -8.336  -5.640
  302   2HG2  THR  36          3HG2      THR  36  17.496  -8.887  -6.360
  303   3HG2  THR  36          2HG2      THR  36  17.304  -7.195  -5.897
  304    H    ILE  37           H        ILE  37  13.381  -8.307  -8.754
  305    HA   ILE  37           HA       ILE  37  11.320  -8.379  -6.752
  306    HB   ILE  37           HB       ILE  37  10.841  -8.847  -9.112
  307   1HG1  ILE  37          2HG1      ILE  37  10.165 -11.507  -8.279
  308   2HG1  ILE  37          1HG1      ILE  37  10.013 -10.433  -6.888
  309   1HG2  ILE  37          3HG2      ILE  37  13.025  -9.961  -9.590
  310   2HG2  ILE  37          2HG2      ILE  37  12.469 -11.373  -8.691
  311   3HG2  ILE  37          1HG2      ILE  37  11.647 -10.893 -10.176
  312   1HD1  ILE  37          3HD1      ILE  37   8.943  -9.066  -9.150
  313   2HD1  ILE  37          2HD1      ILE  37   8.248 -10.687  -9.127
  314   3HD1  ILE  37          1HD1      ILE  37   8.083  -9.637  -7.721
  315    H    VAL  38           H        VAL  38  14.068 -10.501  -7.483
  316    HA   VAL  38           HA       VAL  38  13.254 -12.479  -5.486
  317    HB   VAL  38           HB       VAL  38  14.530 -13.301  -7.347
  318   1HG1  VAL  38          3HG1      VAL  38  16.349 -11.005  -6.651
  319   2HG1  VAL  38          2HG1      VAL  38  16.970 -12.395  -7.543
  320   3HG1  VAL  38          1HG1      VAL  38  15.654 -11.431  -8.214
  321   1HG2  VAL  38          1HG2      VAL  38  15.328 -13.634  -4.679
  322   2HG2  VAL  38          3HG2      VAL  38  15.747 -14.681  -6.035
  323   3HG2  VAL  38          2HG2      VAL  38  16.831 -13.370  -5.566
  324    H    THR  39           H        THR  39  13.661 -12.308  -3.337
  325    HA   THR  39           HA       THR  39  14.488 -11.431  -1.321
  326    HB   THR  39           HB       THR  39  16.984 -11.418  -3.041
  327    HG1  THR  39           HG1      THR  39  16.224 -13.461  -2.645
  328   1HG2  THR  39          1HG2      THR  39  16.576 -10.834  -0.107
  329   2HG2  THR  39          3HG2      THR  39  18.123 -11.394  -0.743
  330   3HG2  THR  39          2HG2      THR  39  17.441  -9.867  -1.301
  331   1H    GLU  41          1H        GLU  41 -12.054  -8.167 -10.687
  332   2H    GLU  41          3H        GLU  41 -10.565  -7.974  -9.900
  333   3H    GLU  41          2H        GLU  41 -10.659  -8.902 -11.320
  334    HA   GLU  41           HA       GLU  41 -11.991 -10.553 -10.225
  335   1HB   GLU  41          2HB       GLU  41  -9.521  -9.772  -8.651
  336   2HB   GLU  41          1HB       GLU  41 -10.294 -11.356  -8.607
  337   1HG   GLU  41          2HG       GLU  41  -9.105 -10.034 -11.065
  338   2HG   GLU  41          1HG       GLU  41  -8.392 -11.375 -10.167
  339    H    TYR  42           H        TYR  42 -10.790  -9.946  -7.141
  340    HA   TYR  42           HA       TYR  42 -13.434  -8.854  -6.280
  341   1HB   TYR  42          2HB       TYR  42 -13.259 -10.226  -4.259
  342   2HB   TYR  42          1HB       TYR  42 -13.139 -11.254  -5.688
  343    HD1  TYR  42           HD1      TYR  42 -10.735 -11.738  -6.578
  344    HD2  TYR  42           HD2      TYR  42 -11.585 -10.321  -2.615
  345    HE1  TYR  42           HE1      TYR  42  -8.535 -12.562  -5.815
  346    HE2  TYR  42           HE2      TYR  42  -9.380 -11.145  -1.850
  347    HH   TYR  42           HH       TYR  42  -7.691 -13.287  -3.086
  348    H    ARG  43           H        ARG  43 -12.632  -8.608  -3.524
  349    HA   ARG  43           HA       ARG  43 -10.972  -6.174  -3.789
  350   1HB   ARG  43          2HB       ARG  43 -11.753  -5.594  -1.603
  351   2HB   ARG  43          1HB       ARG  43 -13.145  -6.267  -2.453
  352   1HG   ARG  43          2HG       ARG  43 -12.125  -8.536  -1.390
  353   2HG   ARG  43          1HG       ARG  43 -11.604  -7.379  -0.164
  354   1HD   ARG  43          2HD       ARG  43 -14.133  -6.531  -0.467
  355   2HD   ARG  43          1HD       ARG  43 -14.363  -8.214  -0.942
  356    HE   ARG  43           HE       ARG  43 -13.299  -7.349   1.714
  357   1HH1  ARG  43          2HH1      ARG  43 -13.578 -10.066  -0.209
  358   2HH1  ARG  43          1HH1      ARG  43 -14.472 -11.009   0.936
  359   1HH2  ARG  43          1HH2      ARG  43 -14.990  -8.360   3.114
  360   2HH2  ARG  43          2HH2      ARG  43 -15.275 -10.043   2.817
  361    H    ILE  44           H        ILE  44  -9.250  -8.157  -4.286
  362    HA   ILE  44           HA       ILE  44  -8.103  -9.668  -2.254
  363    HB   ILE  44           HB       ILE  44  -7.120  -9.757  -4.457
  364   1HG1  ILE  44          2HG1      ILE  44  -4.750  -8.550  -3.346
  365   2HG1  ILE  44          1HG1      ILE  44  -5.634  -9.377  -2.060
  366   1HG2  ILE  44          1HG2      ILE  44  -7.596  -7.192  -4.760
  367   2HG2  ILE  44          3HG2      ILE  44  -5.967  -6.999  -4.110
  368   3HG2  ILE  44          2HG2      ILE  44  -6.221  -7.916  -5.595
  369   1HD1  ILE  44          2HD1      ILE  44  -5.835 -11.223  -4.043
  370   2HD1  ILE  44          1HD1      ILE  44  -4.277 -10.501  -4.447
  371   3HD1  ILE  44          3HD1      ILE  44  -4.532 -11.215  -2.856
  372    H    ASP  45           H        ASP  45  -6.761  -9.229  -0.485
  373    HA   ASP  45           HA       ASP  45  -6.667  -6.361   0.246
  374   1HB   ASP  45          2HB       ASP  45  -6.746  -7.010   2.494
  375   2HB   ASP  45          1HB       ASP  45  -7.741  -8.230   1.697
  376    H    ARG  46           H        ARG  46  -4.818  -6.971  -1.621
  377    HA   ARG  46           HA       ARG  46  -2.309  -6.542  -0.128
  378   1HB   ARG  46          2HB       ARG  46  -2.647  -9.072  -0.631
  379   2HB   ARG  46          1HB       ARG  46  -2.330  -8.631  -2.310
  380   1HG   ARG  46          2HG       ARG  46  -0.244  -7.398  -1.333
  381   2HG   ARG  46          1HG       ARG  46  -0.497  -8.439   0.069
  382   1HD   ARG  46          2HD       ARG  46  -0.717 -10.008  -2.335
  383   2HD   ARG  46          1HD       ARG  46   0.800  -9.107  -2.360
  384    HE   ARG  46           HE       ARG  46   1.487 -10.276  -0.365
  385   1HH1  ARG  46          2HH1      ARG  46  -0.573 -12.040  -2.214
  386   2HH1  ARG  46          1HH1      ARG  46  -1.181 -13.054  -0.948
  387   1HH2  ARG  46          1HH2      ARG  46   0.241 -11.178   1.597
  388   2HH2  ARG  46          2HH2      ARG  46  -0.718 -12.567   1.210
  389    H    VAL  47           H        VAL  47  -0.799  -5.335  -1.396
  390    HA   VAL  47           HA       VAL  47  -1.418  -4.839  -4.237
  391    HB   VAL  47           HB       VAL  47  -0.993  -2.269  -2.946
  392   1HG1  VAL  47          2HG1      VAL  47  -1.976  -3.042  -5.256
  393   2HG1  VAL  47          1HG1      VAL  47  -3.492  -3.122  -4.359
  394   3HG1  VAL  47          3HG1      VAL  47  -2.612  -1.597  -4.470
  395   1HG2  VAL  47          3HG2      VAL  47  -3.398  -3.898  -2.077
  396   2HG2  VAL  47          2HG2      VAL  47  -2.164  -3.199  -1.028
  397   3HG2  VAL  47          1HG2      VAL  47  -3.276  -2.147  -1.906
  398    H    ARG  48           H        ARG  48   0.421  -4.167  -5.393
  399    HA   ARG  48           HA       ARG  48   2.970  -4.613  -4.044
  400   1HB   ARG  48          2HB       ARG  48   2.192  -3.922  -6.871
  401   2HB   ARG  48          1HB       ARG  48   3.881  -3.975  -6.357
  402   1HG   ARG  48          2HG       ARG  48   2.000  -6.273  -5.813
  403   2HG   ARG  48          1HG       ARG  48   2.878  -6.146  -7.335
  404   1HD   ARG  48          2HD       ARG  48   4.980  -5.817  -5.834
  405   2HD   ARG  48          1HD       ARG  48   3.982  -6.507  -4.550
  406    HE   ARG  48           HE       ARG  48   3.680  -8.286  -6.657
  407   1HH1  ARG  48          2HH1      ARG  48   6.428  -6.772  -5.225
  408   2HH1  ARG  48          1HH1      ARG  48   7.422  -8.185  -5.330
  409   1HH2  ARG  48          1HH2      ARG  48   4.925 -10.176  -6.670
  410   2HH2  ARG  48          2HH2      ARG  48   6.572 -10.110  -6.138
  411    H    LEU  49           H        LEU  49   3.086  -2.848  -2.524
  412    HA   LEU  49           HA       LEU  49   3.194  -0.135  -3.695
  413   1HB   LEU  49          2HB       LEU  49   2.089  -0.255  -1.540
  414   2HB   LEU  49          1HB       LEU  49   3.476  -1.072  -0.828
  415    HG   LEU  49           HG       LEU  49   4.801   0.853  -0.849
  416   1HD1  LEU  49          3HD1      LEU  49   2.972   1.783  -3.069
  417   2HD1  LEU  49          2HD1      LEU  49   4.042   2.908  -2.232
  418   3HD1  LEU  49          1HD1      LEU  49   4.720   1.540  -3.119
  419   1HD2  LEU  49          3HD2      LEU  49   2.881   1.129   0.694
  420   2HD2  LEU  49          2HD2      LEU  49   3.424   2.681   0.056
  421   3HD2  LEU  49          1HD2      LEU  49   1.971   1.920  -0.593
  422    H    PHE  50           H        PHE  50   5.028  -0.077  -4.884
  423    HA   PHE  50           HA       PHE  50   7.597  -0.995  -3.731
  424   1HB   PHE  50          2HB       PHE  50   6.573  -0.117  -6.415
  425   2HB   PHE  50          1HB       PHE  50   8.310  -0.003  -6.094
  426    HD1  PHE  50           HD2      PHE  50   9.498  -2.071  -5.218
  427    HD2  PHE  50           HD1      PHE  50   5.579  -2.207  -6.958
  428    HE1  PHE  50           HE2      PHE  50   9.769  -4.497  -5.625
  429    HE2  PHE  50           HE1      PHE  50   5.850  -4.634  -7.381
  430    HZ   PHE  50           HZ       PHE  50   7.947  -5.781  -6.716
  431    H    VAL  51           H        VAL  51   8.497   0.528  -2.338
  432    HA   VAL  51           HA       VAL  51   7.966   3.383  -2.811
  433    HB   VAL  51           HB       VAL  51   9.580   3.482  -0.676
  434   1HG1  VAL  51          1HG1      VAL  51   7.037   3.985  -1.027
  435   2HG1  VAL  51          3HG1      VAL  51   6.802   2.416  -0.258
  436   3HG1  VAL  51          2HG1      VAL  51   7.640   3.703   0.607
  437   1HG2  VAL  51          3HG2      VAL  51   9.939   0.948  -0.918
  438   2HG2  VAL  51          2HG2      VAL  51   9.471   1.525   0.682
  439   3HG2  VAL  51          1HG2      VAL  51   8.272   0.771  -0.368
  440    H    ASP  52           H        ASP  52   9.887   4.890  -2.425
  441    HA   ASP  52           HA       ASP  52  11.980   4.108  -4.355
  442   1HB   ASP  52          2HB       ASP  52  12.228   6.371  -4.806
  443   2HB   ASP  52          1HB       ASP  52  10.547   6.347  -4.275
  444    H    LYS  53           H        LYS  53  13.865   6.072  -3.314
  445    HA   LYS  53           HA       LYS  53  15.254   4.399  -1.398
  446   1HB   LYS  53          2HB       LYS  53  15.933   7.235  -2.105
  447   2HB   LYS  53          1HB       LYS  53  17.037   5.895  -1.780
  448   1HG   LYS  53          2HG       LYS  53  15.478   5.060  -3.968
  449   2HG   LYS  53          1HG       LYS  53  15.853   6.750  -4.300
  450   1HD   LYS  53          2HD       LYS  53  18.217   6.356  -4.112
  451   2HD   LYS  53          1HD       LYS  53  17.957   4.741  -3.453
  452   1HE   LYS  53          2HE       LYS  53  16.712   5.264  -6.093
  453   2HE   LYS  53          1HE       LYS  53  18.473   5.209  -6.077
  454   1HZ   LYS  53          1HZ       LYS  53  18.171   3.080  -4.741
  455   2HZ   LYS  53          3HZ       LYS  53  16.561   3.105  -5.273
  456   3HZ   LYS  53          2HZ       LYS  53  17.825   3.014  -6.403
  457    H    LEU  54           H        LEU  54  13.751   7.635  -1.372
  458    HA   LEU  54           HA       LEU  54  13.967   7.729   1.586
  459   1HB   LEU  54          2HB       LEU  54  14.089   9.675  -0.458
  460   2HB   LEU  54          1HB       LEU  54  12.581   9.975   0.406
  461    HG   LEU  54           HG       LEU  54  14.531   9.394   2.377
  462   1HD1  LEU  54          3HD1      LEU  54  15.505  11.201   0.164
  463   2HD1  LEU  54          2HD1      LEU  54  16.084  11.379   1.820
  464   3HD1  LEU  54          1HD1      LEU  54  16.359   9.872   0.947
  465   1HD2  LEU  54          3HD2      LEU  54  13.314  12.025   1.473
  466   2HD2  LEU  54          2HD2      LEU  54  12.595  10.897   2.624
  467   3HD2  LEU  54          1HD2      LEU  54  14.087  11.745   3.033
  468    H    ASP  55           H        ASP  55  12.172   5.791   0.481
  469    HA   ASP  55           HA       ASP  55   9.917   5.127   0.540
  470   1HB   ASP  55          2HB       ASP  55   8.835   6.684   2.606
  471   2HB   ASP  55          1HB       ASP  55   9.553   5.080   2.768
  472    H    ASN  56           H        ASN  56   9.854   6.504  -1.538
  473    HA   ASN  56           HA       ASN  56   7.747   8.590  -1.211
  474   1HB   ASN  56          2HB       ASN  56   9.855   9.696  -1.798
  475   2HB   ASN  56          1HB       ASN  56  10.076   8.591  -3.158
  476   1HD2  ASN  56          2HD2      ASN  56   7.682  11.830  -3.579
  477   2HD2  ASN  56          1HD2      ASN  56   8.542  11.538  -2.145
  478    H    ILE  57           H        ILE  57   6.115   7.199  -1.682
  479    HA   ILE  57           HA       ILE  57   5.834   5.135  -3.435
  480    HB   ILE  57           HB       ILE  57   3.771   7.343  -3.307
  481   1HG1  ILE  57          2HG1      ILE  57   4.568   5.248  -1.272
  482   2HG1  ILE  57          1HG1      ILE  57   4.355   6.980  -1.026
  483   1HG2  ILE  57          2HG2      ILE  57   3.625   4.329  -3.630
  484   2HG2  ILE  57          1HG2      ILE  57   2.225   5.392  -3.469
  485   3HG2  ILE  57          3HG2      ILE  57   3.283   5.535  -4.872
  486   1HD1  ILE  57          3HD1      ILE  57   1.884   6.434  -1.856
  487   2HD1  ILE  57          2HD1      ILE  57   2.289   4.831  -1.248
  488   3HD1  ILE  57          1HD1      ILE  57   2.347   6.223  -0.168
  489    H    ALA  58           H        ALA  58   7.240   5.442  -5.251
  490    HA   ALA  58           HA       ALA  58   6.521   7.555  -7.195
  491   1HB   ALA  58          1HB       ALA  58   8.925   6.936  -6.789
  492   2HB   ALA  58          3HB       ALA  58   8.581   5.339  -7.455
  493   3HB   ALA  58          2HB       ALA  58   8.441   6.770  -8.476
  494    H    GLN  59           H        GLN  59   5.869   4.256  -6.489
  495    HA   GLN  59           HA       GLN  59   4.524   3.931  -9.143
  496   1HB   GLN  59          2HB       GLN  59   6.252   2.140  -7.589
  497   2HB   GLN  59          1HB       GLN  59   4.721   1.390  -8.041
  498   1HG   GLN  59          2HG       GLN  59   5.310   1.268 -10.220
  499   2HG   GLN  59          1HG       GLN  59   5.905   2.930 -10.229
  500   1HE2  GLN  59          2HE2      GLN  59   8.522  -0.106  -9.295
  501   2HE2  GLN  59          1HE2      GLN  59   6.855  -0.361  -9.105
  502    H    VAL  60           H        VAL  60   2.415   4.466  -8.712
  503    HA   VAL  60           HA       VAL  60   1.141   4.229  -6.181
  504    HB   VAL  60           HB       VAL  60   0.077   4.458  -8.997
  505   1HG1  VAL  60          2HG1      VAL  60  -1.348   3.662  -6.587
  506   2HG1  VAL  60          1HG1      VAL  60  -1.966   5.185  -7.228
  507   3HG1  VAL  60          3HG1      VAL  60  -1.929   3.748  -8.249
  508   1HG2  VAL  60          3HG2      VAL  60   1.274   6.300  -7.431
  509   2HG2  VAL  60          2HG2      VAL  60  -0.012   6.708  -8.568
  510   3HG2  VAL  60          1HG2      VAL  60  -0.386   6.475  -6.861
  511    HA   PRO  61           HA       PRO  61   0.279  -0.140  -6.219
  512   1HB   PRO  61          2HB       PRO  61  -1.170  -0.150  -3.882
  513   2HB   PRO  61          1HB       PRO  61   0.601  -0.082  -3.928
  514   1HG   PRO  61          2HG       PRO  61  -1.342   2.086  -3.296
  515   2HG   PRO  61          1HG       PRO  61   0.346   1.911  -2.792
  516   1HD   PRO  61          2HD       PRO  61  -0.615   3.605  -4.858
  517   2HD   PRO  61          1HD       PRO  61   1.084   3.200  -4.535
  518    H    ARG  62           H        ARG  62  -1.758  -1.507  -6.283
  519    HA   ARG  62           HA       ARG  62  -4.285  -0.010  -6.613
  520   1HB   ARG  62          2HB       ARG  62  -2.658  -0.727  -8.835
  521   2HB   ARG  62          1HB       ARG  62  -4.072  -1.779  -8.855
  522   1HG   ARG  62          2HG       ARG  62  -4.799   0.116 -10.050
  523   2HG   ARG  62          1HG       ARG  62  -5.428   0.395  -8.426
  524   1HD   ARG  62          2HD       ARG  62  -4.150   2.329  -9.649
  525   2HD   ARG  62          1HD       ARG  62  -3.827   2.030  -7.943
  526    HE   ARG  62           HE       ARG  62  -1.673   1.184  -8.535
  527   1HH1  ARG  62          1HH2      ARG  62  -2.142  -0.564 -10.783
  528   2HH1  ARG  62          2HH2      ARG  62  -1.543   0.324 -12.144
  529   1HH2  ARG  62          2HH1      ARG  62  -1.570   3.377 -10.500
  530   2HH2  ARG  62          1HH1      ARG  62  -1.219   2.557 -11.985
  531    H    VAL  63           H        VAL  63  -5.913  -1.210  -5.756
  532    HA   VAL  63           HA       VAL  63  -5.421  -4.127  -5.356
  533    HB   VAL  63           HB       VAL  63  -6.795  -2.007  -3.781
  534   1HG1  VAL  63          1HG1      VAL  63  -7.759  -4.884  -3.783
  535   2HG1  VAL  63          3HG1      VAL  63  -8.207  -3.663  -2.588
  536   3HG1  VAL  63          2HG1      VAL  63  -8.701  -3.473  -4.273
  537   1HG2  VAL  63          2HG2      VAL  63  -4.802  -4.109  -3.458
  538   2HG2  VAL  63          1HG2      VAL  63  -5.067  -2.664  -2.483
  539   3HG2  VAL  63          3HG2      VAL  63  -5.993  -4.128  -2.158
  540    H    GLY  64           H        GLY  64  -7.144  -5.607  -5.864
  541   1HA   GLY  64          2HA       GLY  64  -9.637  -5.571  -6.641
  542   2HA   GLY  64          1HA       GLY  64  -9.012  -4.542  -7.932
   
  No H/Q in entry =         542
  Start of MODEL           6
 Raw file had  552 H/Q atoms
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -13.317   6.192  -2.645
    2   2H    MET   1          3H        MET   1 -14.844   5.454  -2.718
    3   3H    MET   1          2H        MET   1 -13.650   4.832  -1.682
    4    HA   MET   1           HA       MET   1 -13.571   3.365  -3.445
    5   1HB   MET   1          2HB       MET   1 -14.111   5.840  -5.080
    6   2HB   MET   1          1HB       MET   1 -13.468   4.383  -5.837
    7   1HG   MET   1          2HG       MET   1 -15.377   3.095  -4.840
    8   2HG   MET   1          1HG       MET   1 -16.051   4.622  -4.270
    9   1HE   MET   1          3HE       MET   1 -17.808   2.941  -5.711
   10   2HE   MET   1          2HE       MET   1 -17.986   3.068  -7.459
   11   3HE   MET   1          1HE       MET   1 -16.685   2.092  -6.783
   12    H    LYS   2           H        LYS   2 -11.525   4.366  -1.904
   13    HA   LYS   2           HA       LYS   2  -9.379   5.348  -3.660
   14   1HB   LYS   2          2HB       LYS   2  -9.722   4.847  -0.735
   15   2HB   LYS   2          1HB       LYS   2  -8.080   4.805  -1.382
   16   1HG   LYS   2          2HG       LYS   2  -9.974   7.077  -1.994
   17   2HG   LYS   2          1HG       LYS   2  -8.943   7.085  -0.563
   18   1HD   LYS   2          2HD       LYS   2  -6.946   6.937  -1.917
   19   2HD   LYS   2          1HD       LYS   2  -7.900   6.691  -3.380
   20   1HE   LYS   2          2HE       LYS   2  -7.186   9.012  -3.304
   21   2HE   LYS   2          1HE       LYS   2  -8.927   8.948  -3.025
   22   1HZ   LYS   2          3HZ       LYS   2  -8.422   8.969  -0.609
   23   2HZ   LYS   2          2HZ       LYS   2  -6.791   9.256  -0.990
   24   3HZ   LYS   2          1HZ       LYS   2  -7.979  10.393  -1.417
   25    H    THR   3           H        THR   3  -9.688   3.298  -5.039
   26    HA   THR   3           HA       THR   3  -8.339   0.921  -3.845
   27    HB   THR   3           HB       THR   3  -9.291   0.724  -6.622
   28    HG1  THR   3           HG1      THR   3 -11.512   0.609  -5.779
   29   1HG2  THR   3          3HG2      THR   3  -9.689  -0.818  -4.053
   30   2HG2  THR   3          2HG2      THR   3 -10.406  -1.299  -5.589
   31   3HG2  THR   3          1HG2      THR   3  -8.653  -1.247  -5.412
   32    H    GLU   4           H        GLU   4  -7.909   3.483  -6.160
   33    HA   GLU   4           HA       GLU   4  -5.560   2.146  -7.372
   34   1HB   GLU   4          2HB       GLU   4  -7.008   4.749  -7.931
   35   2HB   GLU   4          1HB       GLU   4  -5.497   4.316  -8.730
   36   1HG   GLU   4          2HG       GLU   4  -6.907   2.017  -9.094
   37   2HG   GLU   4          1HG       GLU   4  -8.218   3.196  -9.108
   38    H    TRP   5           H        TRP   5  -6.348   5.072  -5.527
   39    HA   TRP   5           HA       TRP   5  -4.977   6.372  -4.141
   40   1HB   TRP   5          2HB       TRP   5  -3.008   4.088  -4.437
   41   2HB   TRP   5          1HB       TRP   5  -3.016   5.321  -3.174
   42    HD1  TRP   5           HD1      TRP   5  -5.434   5.357  -1.696
   43    HE1  TRP   5           HE1      TRP   5  -6.693   3.327  -0.751
   44    HE3  TRP   5           HE3      TRP   5  -3.570   1.659  -4.708
   45    HZ2  TRP   5           HZ2      TRP   5  -6.877   0.509  -1.186
   46    HZ3  TRP   5           HZ3      TRP   5  -4.295  -0.683  -4.397
   47    HH2  TRP   5           HH2      TRP   5  -5.944  -1.255  -2.642
   48    HA   PRO   6           HA       PRO   6  -2.213   7.050  -7.928
   49   1HB   PRO   6          2HB       PRO   6  -3.774   8.793  -9.387
   50   2HB   PRO   6          1HB       PRO   6  -3.760   7.042  -9.669
   51   1HG   PRO   6          2HG       PRO   6  -5.818   8.707  -8.277
   52   2HG   PRO   6          1HG       PRO   6  -6.023   7.204  -9.193
   53   1HD   PRO   6          2HD       PRO   6  -5.986   7.382  -6.391
   54   2HD   PRO   6          1HD       PRO   6  -5.712   5.904  -7.329
   55    H    GLU   7           H        GLU   7  -4.460   8.924  -6.131
   56    HA   GLU   7           HA       GLU   7  -3.003  11.444  -6.202
   57   1HB   GLU   7          2HB       GLU   7  -5.467  10.531  -5.159
   58   2HB   GLU   7          1HB       GLU   7  -4.521  11.073  -3.770
   59   1HG   GLU   7          2HG       GLU   7  -4.361  12.861  -6.108
   60   2HG   GLU   7          1HG       GLU   7  -5.973  12.739  -5.402
   61    H    LEU   8           H        LEU   8  -2.533   8.427  -4.677
   62    HA   LEU   8           HA       LEU   8  -1.115   9.487  -2.356
   63   1HB   LEU   8          2HB       LEU   8  -1.900   7.457  -1.702
   64   2HB   LEU   8          1HB       LEU   8  -2.024   6.878  -3.355
   65    HG   LEU   8           HG       LEU   8   0.666   7.132  -2.022
   66   1HD1  LEU   8          2HD1      LEU   8  -1.292   4.827  -1.847
   67   2HD1  LEU   8          1HD1      LEU   8   0.408   4.724  -1.400
   68   3HD1  LEU   8          3HD1      LEU   8  -0.676   5.785  -0.501
   69   1HD2  LEU   8          2HD2      LEU   8  -0.542   5.728  -4.386
   70   2HD2  LEU   8          1HD2      LEU   8   0.955   6.654  -4.291
   71   3HD2  LEU   8          3HD2      LEU   8   0.879   5.030  -3.609
   72    H    VAL   9           H        VAL   9  -0.407   9.213  -5.598
   73    HA   VAL   9           HA       VAL   9   2.217   8.220  -5.710
   74    HB   VAL   9           HB       VAL   9   0.860  10.454  -7.230
   75   1HG1  VAL   9          2HG1      VAL   9   3.381  10.815  -7.062
   76   2HG1  VAL   9          1HG1      VAL   9   3.575   9.262  -7.879
   77   3HG1  VAL   9          3HG1      VAL   9   2.767  10.596  -8.702
   78   1HG2  VAL   9          1HG2      VAL   9   0.553   7.766  -7.380
   79   2HG2  VAL   9          3HG2      VAL   9   0.364   8.834  -8.769
   80   3HG2  VAL   9          2HG2      VAL   9   1.886   7.981  -8.511
   81    H    GLY  10           H        GLY  10   4.259   9.251  -5.556
   82   1HA   GLY  10          2HA       GLY  10   5.830  10.693  -4.610
   83   2HA   GLY  10          1HA       GLY  10   4.625  11.963  -4.811
   84    H    LYS  11           H        LYS  11   3.312   9.453  -2.955
   85    HA   LYS  11           HA       LYS  11   3.692  11.089  -0.514
   86   1HB   LYS  11          2HB       LYS  11   1.445   9.987  -1.457
   87   2HB   LYS  11          1HB       LYS  11   2.020   8.613  -0.512
   88   1HG   LYS  11          2HG       LYS  11   0.799   9.770   1.098
   89   2HG   LYS  11          1HG       LYS  11   2.408  10.451   1.347
   90   1HD   LYS  11          2HD       LYS  11   1.707  12.505   0.743
   91   2HD   LYS  11          1HD       LYS  11   1.007  11.881  -0.751
   92   1HE   LYS  11          2HE       LYS  11  -0.839  10.958   0.955
   93   2HE   LYS  11          1HE       LYS  11  -0.283  12.339   1.900
   94   1HZ   LYS  11          1HZ       LYS  11  -0.600  13.696  -0.154
   95   2HZ   LYS  11          3HZ       LYS  11  -1.368  12.359  -0.858
   96   3HZ   LYS  11          2HZ       LYS  11  -2.035  13.088   0.523
   97    H    SER  12           H        SER  12   3.122   8.507   1.063
   98    HA   SER  12           HA       SER  12   5.693   7.090   0.715
   99   1HB   SER  12          2HB       SER  12   5.135   9.050   2.829
  100   2HB   SER  12          1HB       SER  12   5.668   7.485   3.447
  101    HG   SER  12           HG       SER  12   7.211   9.315   2.567
  102    H    VAL  13           H        VAL  13   5.792   5.140   2.093
  103    HA   VAL  13           HA       VAL  13   3.549   3.504   1.963
  104    HB   VAL  13           HB       VAL  13   5.847   3.512   3.930
  105   1HG1  VAL  13          3HG1      VAL  13   3.545   1.581   3.628
  106   2HG1  VAL  13          2HG1      VAL  13   5.092   1.090   4.318
  107   3HG1  VAL  13          1HG1      VAL  13   4.137   2.348   5.100
  108   1HG2  VAL  13          1HG2      VAL  13   5.669   2.846   1.236
  109   2HG2  VAL  13          3HG2      VAL  13   6.933   2.314   2.344
  110   3HG2  VAL  13          2HG2      VAL  13   5.529   1.288   2.051
  111    H    GLU  14           H        GLU  14   4.432   5.795   4.505
  112    HA   GLU  14           HA       GLU  14   2.692   5.141   6.561
  113   1HB   GLU  14          2HB       GLU  14   3.657   7.745   5.448
  114   2HB   GLU  14          1HB       GLU  14   2.344   7.790   6.625
  115   1HG   GLU  14          2HG       GLU  14   3.742   7.304   8.327
  116   2HG   GLU  14          1HG       GLU  14   4.442   5.948   7.442
  117    H    GLU  15           H        GLU  15   1.716   7.645   4.216
  118    HA   GLU  15           HA       GLU  15  -1.064   7.399   4.698
  119   1HB   GLU  15          2HB       GLU  15   0.355   9.130   3.279
  120   2HB   GLU  15          1HB       GLU  15  -0.068   8.054   1.948
  121   1HG   GLU  15          2HG       GLU  15  -2.317   8.713   3.737
  122   2HG   GLU  15          1HG       GLU  15  -1.664  10.090   2.848
  123    H    ALA  16           H        ALA  16   1.053   5.585   2.508
  124    HA   ALA  16           HA       ALA  16  -1.019   4.297   1.023
  125   1HB   ALA  16          3HB       ALA  16   1.839   4.095   1.262
  126   2HB   ALA  16          2HB       ALA  16   1.142   2.475   1.311
  127   3HB   ALA  16          1HB       ALA  16   0.805   3.538  -0.052
  128    H    LYS  17           H        LYS  17   1.023   2.303   3.149
  129    HA   LYS  17           HA       LYS  17  -0.834   0.318   3.681
  130   1HB   LYS  17          2HB       LYS  17   1.522   1.378   5.086
  131   2HB   LYS  17          1HB       LYS  17   0.361   0.598   6.160
  132   1HG   LYS  17          2HG       LYS  17   1.091  -0.766   3.591
  133   2HG   LYS  17          1HG       LYS  17   2.222  -0.835   4.943
  134   1HD   LYS  17          2HD       LYS  17  -0.459  -1.337   5.889
  135   2HD   LYS  17          1HD       LYS  17  -0.077  -2.433   4.560
  136   1HE   LYS  17          2HE       LYS  17   2.258  -2.382   6.086
  137   2HE   LYS  17          1HE       LYS  17   0.962  -2.402   7.284
  138   1HZ   LYS  17          1HZ       LYS  17  -0.024  -4.262   5.930
  139   2HZ   LYS  17          3HZ       LYS  17   1.451  -4.336   5.095
  140   3HZ   LYS  17          2HZ       LYS  17   1.408  -4.634   6.765
  141    H    LYS  18           H        LYS  18  -0.458   3.364   5.427
  142    HA   LYS  18           HA       LYS  18  -2.279   3.203   7.475
  143   1HB   LYS  18          2HB       LYS  18  -1.027   5.231   7.065
  144   2HB   LYS  18          1HB       LYS  18  -1.844   5.477   5.519
  145   1HG   LYS  18          2HG       LYS  18  -3.229   6.823   6.732
  146   2HG   LYS  18          1HG       LYS  18  -3.981   5.310   7.236
  147   1HD   LYS  18          2HD       LYS  18  -2.275   5.249   9.134
  148   2HD   LYS  18          1HD       LYS  18  -1.885   6.916   8.708
  149   1HE   LYS  18          2HE       LYS  18  -4.775   6.327   8.991
  150   2HE   LYS  18          1HE       LYS  18  -3.838   6.234  10.483
  151   1HZ   LYS  18          2HZ       LYS  18  -3.320   8.517   8.748
  152   2HZ   LYS  18          1HZ       LYS  18  -4.820   8.501   9.546
  153   3HZ   LYS  18          3HZ       LYS  18  -3.383   8.432  10.444
  154    H    VAL  19           H        VAL  19  -3.337   4.812   4.498
  155    HA   VAL  19           HA       VAL  19  -6.111   4.088   5.051
  156    HB   VAL  19           HB       VAL  19  -5.286   5.189   2.393
  157   1HG1  VAL  19          3HG1      VAL  19  -7.415   5.907   4.431
  158   2HG1  VAL  19          2HG1      VAL  19  -7.260   6.612   2.823
  159   3HG1  VAL  19          1HG1      VAL  19  -7.656   4.903   3.001
  160   1HG2  VAL  19          3HG2      VAL  19  -4.924   6.582   5.058
  161   2HG2  VAL  19          2HG2      VAL  19  -3.763   6.454   3.735
  162   3HG2  VAL  19          1HG2      VAL  19  -5.184   7.484   3.566
  163    H    ILE  20           H        ILE  20  -3.873   3.320   2.353
  164    HA   ILE  20           HA       ILE  20  -5.378   1.684   0.777
  165    HB   ILE  20           HB       ILE  20  -2.562   1.207   1.769
  166   1HG1  ILE  20          2HG1      ILE  20  -3.663   2.162  -0.894
  167   2HG1  ILE  20          1HG1      ILE  20  -3.052   3.230   0.371
  168   1HG2  ILE  20          2HG2      ILE  20  -4.293  -0.391  -0.083
  169   2HG2  ILE  20          1HG2      ILE  20  -2.579  -0.222  -0.462
  170   3HG2  ILE  20          3HG2      ILE  20  -3.077  -0.946   1.067
  171   1HD1  ILE  20          3HD1      ILE  20  -1.444   1.027  -0.951
  172   2HD1  ILE  20          2HD1      ILE  20  -1.335   2.735  -1.370
  173   3HD1  ILE  20          1HD1      ILE  20  -0.847   2.187   0.234
  174    H    LEU  21           H        LEU  21  -4.220   0.858   4.024
  175    HA   LEU  21           HA       LEU  21  -4.852  -1.903   4.028
  176   1HB   LEU  21          2HB       LEU  21  -3.681  -0.998   5.908
  177   2HB   LEU  21          1HB       LEU  21  -4.964   0.176   6.221
  178    HG   LEU  21           HG       LEU  21  -5.853  -2.641   6.194
  179   1HD1  LEU  21          3HD1      LEU  21  -4.030  -1.589   8.379
  180   2HD1  LEU  21          2HD1      LEU  21  -4.953  -3.090   8.460
  181   3HD1  LEU  21          1HD1      LEU  21  -3.660  -2.912   7.274
  182   1HD2  LEU  21          3HD2      LEU  21  -6.703  -0.126   7.157
  183   2HD2  LEU  21          2HD2      LEU  21  -7.513  -1.677   7.383
  184   3HD2  LEU  21          1HD2      LEU  21  -6.366  -1.096   8.592
  185    H    GLN  22           H        GLN  22  -6.996   0.805   5.032
  186    HA   GLN  22           HA       GLN  22  -9.270  -1.031   4.401
  187   1HB   GLN  22          2HB       GLN  22  -8.575   0.231   6.903
  188   2HB   GLN  22          1HB       GLN  22 -10.154   0.790   6.351
  189   1HG   GLN  22          2HG       GLN  22 -10.821  -1.600   5.980
  190   2HG   GLN  22          1HG       GLN  22  -9.287  -2.100   6.693
  191   1HE2  GLN  22          2HE2      GLN  22 -10.632  -0.138   9.762
  192   2HE2  GLN  22          1HE2      GLN  22  -9.571   0.404   8.555
  193    H    ASP  23           H        ASP  23  -8.800   0.395   2.309
  194    HA   ASP  23           HA       ASP  23 -10.000   3.086   2.472
  195   1HB   ASP  23          2HB       ASP  23  -9.501   1.721  -0.145
  196   2HB   ASP  23          1HB       ASP  23  -9.223   3.403   0.310
  197    H    LYS  24           H        LYS  24 -10.719  -0.031   0.900
  198    HA   LYS  24           HA       LYS  24 -13.552   0.842   0.673
  199   1HB   LYS  24          2HB       LYS  24 -12.020  -1.373  -0.721
  200   2HB   LYS  24          1HB       LYS  24 -13.748  -1.076  -0.934
  201   1HG   LYS  24          2HG       LYS  24 -13.380   0.731  -2.250
  202   2HG   LYS  24          1HG       LYS  24 -12.046   1.306  -1.246
  203   1HD   LYS  24          2HD       LYS  24 -11.288   0.600  -3.513
  204   2HD   LYS  24          1HD       LYS  24 -10.542  -0.356  -2.233
  205   1HE   LYS  24          2HE       LYS  24 -11.333  -1.827  -4.042
  206   2HE   LYS  24          1HE       LYS  24 -12.251  -2.115  -2.566
  207   1HZ   LYS  24          3HZ       LYS  24 -13.552  -0.082  -3.914
  208   2HZ   LYS  24          2HZ       LYS  24 -13.176  -1.248  -5.092
  209   3HZ   LYS  24          1HZ       LYS  24 -14.073  -1.684  -3.716
  210    HA   PRO  25           HA       PRO  25 -14.438  -2.754   3.383
  211   1HB   PRO  25          2HB       PRO  25 -13.567  -5.297   2.818
  212   2HB   PRO  25          1HB       PRO  25 -15.002  -4.583   2.061
  213   1HG   PRO  25          2HG       PRO  25 -12.308  -5.064   0.889
  214   2HG   PRO  25          1HG       PRO  25 -13.879  -4.952   0.081
  215   1HD   PRO  25          2HD       PRO  25 -11.913  -2.920   0.180
  216   2HD   PRO  25          1HD       PRO  25 -13.599  -2.738  -0.347
  217    H    GLU  26           H        GLU  26 -11.442  -4.378   2.361
  218    HA   GLU  26           HA       GLU  26  -9.802  -3.178   4.454
  219   1HB   GLU  26          2HB       GLU  26 -10.290  -6.158   4.662
  220   2HB   GLU  26          1HB       GLU  26  -9.448  -5.110   5.800
  221   1HG   GLU  26          2HG       GLU  26 -11.584  -3.954   6.300
  222   2HG   GLU  26          1HG       GLU  26 -12.418  -5.033   5.178
  223    H    ALA  27           H        ALA  27  -8.918  -2.855   2.112
  224    HA   ALA  27           HA       ALA  27  -7.617  -5.264   1.058
  225   1HB   ALA  27          3HB       ALA  27  -8.261  -2.590   0.048
  226   2HB   ALA  27          2HB       ALA  27  -6.645  -3.125  -0.410
  227   3HB   ALA  27          1HB       ALA  27  -8.052  -4.101  -0.840
  228    H    GLN  28           H        GLN  28  -5.645  -5.868   1.778
  229    HA   GLN  28           HA       GLN  28  -4.029  -3.951   3.335
  230   1HB   GLN  28          2HB       GLN  28  -4.466  -6.687   3.522
  231   2HB   GLN  28          1HB       GLN  28  -2.842  -6.578   2.836
  232   1HG   GLN  28          2HG       GLN  28  -2.157  -5.062   4.646
  233   2HG   GLN  28          1HG       GLN  28  -3.786  -5.105   5.320
  234   1HE2  GLN  28          2HE2      GLN  28  -3.099  -8.850   5.843
  235   2HE2  GLN  28          1HE2      GLN  28  -4.039  -8.067   4.667
  236    H    ILE  29           H        ILE  29  -1.598  -3.978   2.881
  237    HA   ILE  29           HA       ILE  29  -0.944  -4.468   0.054
  238    HB   ILE  29           HB       ILE  29  -1.810  -2.126   0.164
  239   1HG1  ILE  29          2HG1      ILE  29   1.171  -2.229  -0.353
  240   2HG1  ILE  29          1HG1      ILE  29  -0.014  -2.974  -1.429
  241   1HG2  ILE  29          3HG2      ILE  29  -0.253  -2.060   2.521
  242   2HG2  ILE  29          2HG2      ILE  29   0.537  -0.970   1.382
  243   3HG2  ILE  29          1HG2      ILE  29  -1.160  -0.727   1.802
  244   1HD1  ILE  29          3HD1      ILE  29  -1.139  -0.772  -1.675
  245   2HD1  ILE  29          2HD1      ILE  29   0.102  -0.041  -0.658
  246   3HD1  ILE  29          1HD1      ILE  29   0.535  -0.722  -2.227
  247    H    ILE  30           H        ILE  30   1.180  -4.959  -0.250
  248    HA   ILE  30           HA       ILE  30   2.818  -5.379   2.161
  249    HB   ILE  30           HB       ILE  30   2.876  -6.281  -0.699
  250   1HG1  ILE  30          2HG1      ILE  30   3.144  -8.493   0.426
  251   2HG1  ILE  30          1HG1      ILE  30   3.120  -7.668   1.985
  252   1HG2  ILE  30          1HG2      ILE  30   5.251  -5.732   0.907
  253   2HG2  ILE  30          3HG2      ILE  30   5.142  -7.424   0.421
  254   3HG2  ILE  30          2HG2      ILE  30   5.118  -6.154  -0.802
  255   1HD1  ILE  30          2HD1      ILE  30   0.887  -6.862   0.290
  256   2HD1  ILE  30          1HD1      ILE  30   0.894  -8.600   0.592
  257   3HD1  ILE  30          3HD1      ILE  30   0.873  -7.470   1.946
  258    H    VAL  31           H        VAL  31   4.766  -4.298   2.536
  259    HA   VAL  31           HA       VAL  31   5.239  -1.960   0.760
  260    HB   VAL  31           HB       VAL  31   4.816  -1.308   3.057
  261   1HG1  VAL  31          1HG1      VAL  31   6.370  -3.711   3.588
  262   2HG1  VAL  31          3HG1      VAL  31   6.969  -2.342   4.522
  263   3HG1  VAL  31          2HG1      VAL  31   5.281  -2.830   4.658
  264   1HG2  VAL  31          1HG2      VAL  31   6.759  -0.280   1.696
  265   2HG2  VAL  31          3HG2      VAL  31   6.750   0.012   3.435
  266   3HG2  VAL  31          2HG2      VAL  31   7.820  -1.214   2.754
  267    H    LEU  32           H        LEU  32   7.124  -1.815  -0.339
  268    HA   LEU  32           HA       LEU  32   9.471  -3.410   0.462
  269   1HB   LEU  32          2HB       LEU  32   9.556  -4.122  -2.092
  270   2HB   LEU  32          1HB       LEU  32   8.649  -5.084  -0.938
  271    HG   LEU  32           HG       LEU  32   7.432  -2.873  -2.603
  272   1HD1  LEU  32          2HD1      LEU  32   8.403  -5.030  -3.762
  273   2HD1  LEU  32          1HD1      LEU  32   6.990  -5.811  -3.061
  274   3HD1  LEU  32          3HD1      LEU  32   6.783  -4.471  -4.182
  275   1HD2  LEU  32          1HD2      LEU  32   6.456  -4.749  -0.520
  276   2HD2  LEU  32          3HD2      LEU  32   5.802  -3.188  -1.020
  277   3HD2  LEU  32          2HD2      LEU  32   5.438  -4.638  -1.956
  278    HA   PRO  33           HA       PRO  33  11.511  -0.022  -1.294
  279   1HB   PRO  33          2HB       PRO  33  13.837  -1.165  -2.204
  280   2HB   PRO  33          1HB       PRO  33  13.467  -0.918  -0.490
  281   1HG   PRO  33          2HG       PRO  33  13.437  -3.449  -2.062
  282   2HG   PRO  33          1HG       PRO  33  13.702  -3.208  -0.327
  283   1HD   PRO  33          2HD       PRO  33  11.293  -4.073  -1.545
  284   2HD   PRO  33          1HD       PRO  33  11.484  -3.544   0.140
  285    H    VAL  34           H        VAL  34  13.089  -2.057  -3.644
  286    HA   VAL  34           HA       VAL  34  11.228  -1.651  -5.811
  287    HB   VAL  34           HB       VAL  34  13.260   0.450  -5.233
  288   1HG1  VAL  34          2HG1      VAL  34  14.168  -0.598  -7.286
  289   2HG1  VAL  34          1HG1      VAL  34  12.600  -0.402  -8.069
  290   3HG1  VAL  34          3HG1      VAL  34  13.539   1.019  -7.606
  291   1HG2  VAL  34          2HG2      VAL  34  10.466   0.183  -6.202
  292   2HG2  VAL  34          1HG2      VAL  34  11.168   1.373  -5.108
  293   3HG2  VAL  34          3HG2      VAL  34  11.380   1.543  -6.851
  294    H    GLY  35           H        GLY  35  14.561  -2.166  -4.754
  295   1HA   GLY  35          2HA       GLY  35  15.896  -3.149  -6.924
  296   2HA   GLY  35          1HA       GLY  35  16.003  -3.946  -5.356
  297    H    THR  36           H        THR  36  16.156  -5.348  -7.827
  298    HA   THR  36           HA       THR  36  13.811  -6.467  -8.838
  299    HB   THR  36           HB       THR  36  15.523  -8.657  -8.634
  300    HG1  THR  36           HG1      THR  36  17.281  -7.742  -7.902
  301   1HG2  THR  36          1HG2      THR  36  14.367  -7.705 -10.650
  302   2HG2  THR  36          3HG2      THR  36  15.614  -6.462 -10.720
  303   3HG2  THR  36          2HG2      THR  36  16.045  -8.157 -10.947
  304    H    ILE  37           H        ILE  37  12.130  -7.006  -7.485
  305    HA   ILE  37           HA       ILE  37  10.967  -8.065  -5.741
  306    HB   ILE  37           HB       ILE  37  13.090 -10.152  -6.324
  307   1HG1  ILE  37          2HG1      ILE  37  10.394 -10.651  -7.288
  308   2HG1  ILE  37          1HG1      ILE  37  11.020  -9.129  -7.924
  309   1HG2  ILE  37          3HG2      ILE  37  10.713 -10.077  -4.538
  310   2HG2  ILE  37          2HG2      ILE  37  10.926 -11.539  -5.499
  311   3HG2  ILE  37          1HG2      ILE  37  12.198 -11.018  -4.394
  312   1HD1  ILE  37          2HD1      ILE  37  13.184 -10.875  -8.117
  313   2HD1  ILE  37          1HD1      ILE  37  11.798 -11.863  -8.578
  314   3HD1  ILE  37          3HD1      ILE  37  12.140 -10.366  -9.444
  315    H    VAL  38           H        VAL  38  13.879  -9.723  -4.714
  316    HA   VAL  38           HA       VAL  38  14.261  -7.752  -2.522
  317    HB   VAL  38           HB       VAL  38  14.220  -9.506  -0.823
  318   1HG1  VAL  38          2HG1      VAL  38  11.804  -9.485  -2.654
  319   2HG1  VAL  38          1HG1      VAL  38  11.795 -10.167  -1.028
  320   3HG1  VAL  38          3HG1      VAL  38  12.089  -8.444  -1.259
  321   1HG2  VAL  38          3HG2      VAL  38  13.832 -11.269  -3.239
  322   2HG2  VAL  38          2HG2      VAL  38  14.993 -11.444  -1.924
  323   3HG2  VAL  38          1HG2      VAL  38  13.287 -11.792  -1.646
  324    H    THR  39           H        THR  39  16.306  -8.318  -1.256
  325    HA   THR  39           HA       THR  39  18.351  -9.332  -3.179
  326    HB   THR  39           HB       THR  39  19.580  -8.088  -0.935
  327    HG1  THR  39           HG1      THR  39  18.042  -6.774  -0.367
  328   1HG2  THR  39          3HG2      THR  39  20.290  -8.165  -3.360
  329   2HG2  THR  39          2HG2      THR  39  19.075  -6.929  -3.685
  330   3HG2  THR  39          1HG2      THR  39  20.426  -6.576  -2.607
  331   1H    GLU  41          3H        GLU  41 -10.310  -7.818  -9.541
  332   2H    GLU  41          2H        GLU  41 -10.594  -9.476  -9.789
  333   3H    GLU  41          1H        GLU  41 -10.180  -8.477 -11.100
  334    HA   GLU  41           HA       GLU  41 -12.236  -7.379 -11.070
  335   1HB   GLU  41          2HB       GLU  41 -12.072 -10.252 -11.187
  336   2HB   GLU  41          1HB       GLU  41 -13.639  -9.778 -10.530
  337   1HG   GLU  41          2HG       GLU  41 -14.202  -8.527 -12.448
  338   2HG   GLU  41          1HG       GLU  41 -12.524  -8.436 -12.989
  339    H    TYR  42           H        TYR  42 -11.599  -9.188  -8.178
  340    HA   TYR  42           HA       TYR  42 -13.964  -7.970  -6.847
  341   1HB   TYR  42          2HB       TYR  42 -13.373  -9.575  -4.983
  342   2HB   TYR  42          1HB       TYR  42 -13.781 -10.357  -6.506
  343    HD1  TYR  42           HD2      TYR  42 -10.941  -9.294  -4.351
  344    HD2  TYR  42           HD1      TYR  42 -12.195 -11.669  -7.701
  345    HE1  TYR  42           HE2      TYR  42  -8.735 -10.408  -4.390
  346    HE2  TYR  42           HE1      TYR  42  -9.986 -12.782  -7.738
  347    HH   TYR  42           HH       TYR  42  -7.602 -12.164  -6.958
  348    H    ARG  43           H        ARG  43 -12.676  -8.128  -4.175
  349    HA   ARG  43           HA       ARG  43 -10.904  -5.743  -4.480
  350   1HB   ARG  43          2HB       ARG  43 -11.621  -5.041  -2.297
  351   2HB   ARG  43          1HB       ARG  43 -13.072  -5.476  -3.200
  352   1HG   ARG  43          2HG       ARG  43 -12.246  -7.872  -2.011
  353   2HG   ARG  43          1HG       ARG  43 -12.002  -6.653  -0.758
  354   1HD   ARG  43          2HD       ARG  43 -14.390  -5.824  -1.540
  355   2HD   ARG  43          1HD       ARG  43 -14.540  -7.474  -2.139
  356    HE   ARG  43           HE       ARG  43 -13.612  -7.459   0.596
  357   1HH1  ARG  43          2HH1      ARG  43 -16.094  -8.340  -1.443
  358   2HH1  ARG  43          1HH1      ARG  43 -17.357  -8.239  -0.262
  359   1HH2  ARG  43          1HH2      ARG  43 -15.353  -6.759   2.147
  360   2HH2  ARG  43          2HH2      ARG  43 -16.938  -7.347   1.769
  361    H    ILE  44           H        ILE  44  -9.248  -7.636  -4.914
  362    HA   ILE  44           HA       ILE  44  -8.361  -9.386  -2.914
  363    HB   ILE  44           HB       ILE  44  -7.204  -9.417  -5.028
  364   1HG1  ILE  44          2HG1      ILE  44  -4.910  -8.279  -3.647
  365   2HG1  ILE  44          1HG1      ILE  44  -5.885  -9.254  -2.541
  366   1HG2  ILE  44          2HG2      ILE  44  -7.543  -6.721  -5.039
  367   2HG2  ILE  44          1HG2      ILE  44  -5.831  -6.820  -4.625
  368   3HG2  ILE  44          3HG2      ILE  44  -6.425  -7.561  -6.111
  369   1HD1  ILE  44          1HD1      ILE  44  -5.827 -10.779  -4.866
  370   2HD1  ILE  44          3HD1      ILE  44  -4.200 -10.103  -4.783
  371   3HD1  ILE  44          2HD1      ILE  44  -4.833 -11.047  -3.435
  372    H    ASP  45           H        ASP  45  -7.121  -9.124  -1.031
  373    HA   ASP  45           HA       ASP  45  -6.951  -6.312  -0.124
  374   1HB   ASP  45          2HB       ASP  45  -7.194  -7.091   2.078
  375   2HB   ASP  45          1HB       ASP  45  -8.214  -8.187   1.142
  376    H    ARG  46           H        ARG  46  -5.002  -7.060  -1.914
  377    HA   ARG  46           HA       ARG  46  -2.594  -6.718  -0.250
  378   1HB   ARG  46          2HB       ARG  46  -3.009  -9.244  -0.693
  379   2HB   ARG  46          1HB       ARG  46  -2.577  -8.881  -2.366
  380   1HG   ARG  46          2HG       ARG  46  -0.787  -7.903  -0.172
  381   2HG   ARG  46          1HG       ARG  46  -0.710  -9.604  -0.634
  382   1HD   ARG  46          2HD       ARG  46  -0.756  -7.689  -2.887
  383   2HD   ARG  46          1HD       ARG  46   0.699  -7.637  -1.887
  384    HE   ARG  46           HE       ARG  46   0.005 -10.359  -2.567
  385   1HH1  ARG  46          2HH1      ARG  46   0.688  -7.585  -4.385
  386   2HH1  ARG  46          1HH1      ARG  46   2.004  -8.288  -5.263
  387   1HH2  ARG  46          1HH2      ARG  46   2.013 -11.226  -3.424
  388   2HH2  ARG  46          2HH2      ARG  46   2.755 -10.349  -4.720
  389    H    VAL  47           H        VAL  47  -1.013  -5.536  -1.379
  390    HA   VAL  47           HA       VAL  47  -1.320  -5.114  -4.283
  391    HB   VAL  47           HB       VAL  47  -1.015  -2.505  -3.102
  392   1HG1  VAL  47          2HG1      VAL  47  -1.917  -3.338  -5.389
  393   2HG1  VAL  47          1HG1      VAL  47  -3.452  -3.526  -4.541
  394   3HG1  VAL  47          3HG1      VAL  47  -2.690  -1.939  -4.644
  395   1HG2  VAL  47          1HG2      VAL  47  -3.474  -4.045  -2.208
  396   2HG2  VAL  47          3HG2      VAL  47  -2.218  -3.398  -1.153
  397   3HG2  VAL  47          2HG2      VAL  47  -3.258  -2.300  -2.059
  398    H    ARG  48           H        ARG  48   0.596  -3.994  -5.196
  399    HA   ARG  48           HA       ARG  48   2.999  -4.565  -3.559
  400   1HB   ARG  48          2HB       ARG  48   2.474  -4.131  -6.471
  401   2HB   ARG  48          1HB       ARG  48   4.102  -3.849  -5.843
  402   1HG   ARG  48          2HG       ARG  48   2.487  -6.409  -5.594
  403   2HG   ARG  48          1HG       ARG  48   3.924  -6.168  -6.587
  404   1HD   ARG  48          2HD       ARG  48   4.942  -5.407  -4.221
  405   2HD   ARG  48          1HD       ARG  48   3.697  -6.510  -3.631
  406    HE   ARG  48           HE       ARG  48   5.587  -7.459  -5.732
  407   1HH1  ARG  48          2HH1      ARG  48   5.006  -7.219  -2.384
  408   2HH1  ARG  48          1HH1      ARG  48   5.418  -8.865  -2.040
  409   1HH2  ARG  48          1HH2      ARG  48   5.810  -9.744  -5.371
  410   2HH2  ARG  48          2HH2      ARG  48   5.872 -10.295  -3.730
  411    H    LEU  49           H        LEU  49   3.330  -2.858  -2.149
  412    HA   LEU  49           HA       LEU  49   3.210  -0.115  -3.278
  413   1HB   LEU  49          2HB       LEU  49   2.151  -0.201  -1.148
  414   2HB   LEU  49          1HB       LEU  49   3.453  -1.168  -0.455
  415    HG   LEU  49           HG       LEU  49   4.909   0.652  -0.296
  416   1HD1  LEU  49          3HD1      LEU  49   3.341   1.706  -2.616
  417   2HD1  LEU  49          2HD1      LEU  49   4.121   2.882  -1.559
  418   3HD1  LEU  49          1HD1      LEU  49   5.089   1.656  -2.381
  419   1HD2  LEU  49          2HD2      LEU  49   2.179   1.094   0.500
  420   2HD2  LEU  49          1HD2      LEU  49   3.659   1.636   1.292
  421   3HD2  LEU  49          3HD2      LEU  49   2.911   2.633   0.046
  422    H    PHE  50           H        PHE  50   5.062   0.015  -4.509
  423    HA   PHE  50           HA       PHE  50   7.666  -0.723  -3.302
  424   1HB   PHE  50          2HB       PHE  50   6.668   0.049  -6.026
  425   2HB   PHE  50          1HB       PHE  50   8.390   0.204  -5.659
  426    HD1  PHE  50           HD2      PHE  50   9.668  -1.812  -4.878
  427    HD2  PHE  50           HD1      PHE  50   5.672  -2.101  -6.429
  428    HE1  PHE  50           HE2      PHE  50  10.005  -4.232  -5.290
  429    HE2  PHE  50           HE1      PHE  50   6.017  -4.516  -6.862
  430    HZ   PHE  50           HZ       PHE  50   8.182  -5.583  -6.294
  431    H    VAL  51           H        VAL  51   9.220   0.905  -2.762
  432    HA   VAL  51           HA       VAL  51   8.115   3.672  -2.736
  433    HB   VAL  51           HB       VAL  51   9.544   4.120  -0.860
  434   1HG1  VAL  51          2HG1      VAL  51   7.439   2.646  -0.585
  435   2HG1  VAL  51          1HG1      VAL  51   8.571   1.312  -0.363
  436   3HG1  VAL  51          3HG1      VAL  51   8.592   2.681   0.750
  437   1HG2  VAL  51          3HG2      VAL  51  10.899   1.654  -1.838
  438   2HG2  VAL  51          2HG2      VAL  51  11.599   3.130  -1.175
  439   3HG2  VAL  51          1HG2      VAL  51  10.898   1.925  -0.095
  440    H    ASP  52           H        ASP  52  10.759   4.798  -2.111
  441    HA   ASP  52           HA       ASP  52  12.238   4.359  -4.644
  442   1HB   ASP  52          2HB       ASP  52  11.942   6.482  -5.476
  443   2HB   ASP  52          1HB       ASP  52  10.442   6.370  -4.568
  444    H    LYS  53           H        LYS  53  13.933   6.636  -4.233
  445    HA   LYS  53           HA       LYS  53  15.949   5.584  -2.570
  446   1HB   LYS  53          2HB       LYS  53  15.516   8.502  -3.185
  447   2HB   LYS  53          1HB       LYS  53  17.056   7.663  -2.985
  448   1HG   LYS  53          2HG       LYS  53  16.269   6.232  -5.008
  449   2HG   LYS  53          1HG       LYS  53  15.103   7.531  -5.284
  450   1HD   LYS  53          2HD       LYS  53  17.796   8.547  -4.764
  451   2HD   LYS  53          1HD       LYS  53  17.743   7.494  -6.179
  452   1HE   LYS  53          2HE       LYS  53  17.207   9.584  -7.094
  453   2HE   LYS  53          1HE       LYS  53  15.615   8.878  -6.811
  454   1HZ   LYS  53          3HZ       LYS  53  16.543  10.190  -4.482
  455   2HZ   LYS  53          2HZ       LYS  53  16.593  11.256  -5.804
  456   3HZ   LYS  53          1HZ       LYS  53  15.138  10.486  -5.386
  457    H    LEU  54           H        LEU  54  13.869   8.439  -1.940
  458    HA   LEU  54           HA       LEU  54  14.454   8.168   0.958
  459   1HB   LEU  54          2HB       LEU  54  14.595  10.397  -0.288
  460   2HB   LEU  54          1HB       LEU  54  12.835  10.336  -0.396
  461    HG   LEU  54           HG       LEU  54  13.018   9.866   2.206
  462   1HD1  LEU  54          3HD1      LEU  54  15.701  10.199   1.583
  463   2HD1  LEU  54          2HD1      LEU  54  15.242  11.772   2.233
  464   3HD1  LEU  54          1HD1      LEU  54  15.002  10.314   3.197
  465   1HD2  LEU  54          3HD2      LEU  54  12.754  12.241   0.556
  466   2HD2  LEU  54          2HD2      LEU  54  11.912  11.828   2.051
  467   3HD2  LEU  54          1HD2      LEU  54  13.475  12.642   2.116
  468    H    ASP  55           H        ASP  55  12.814   6.133  -0.112
  469    HA   ASP  55           HA       ASP  55  10.704   5.134   0.137
  470   1HB   ASP  55          2HB       ASP  55   9.739   6.542   2.434
  471   2HB   ASP  55          1HB       ASP  55  10.412   4.911   2.354
  472    H    ASN  56           H        ASN  56  10.297   6.728  -1.816
  473    HA   ASN  56           HA       ASN  56   7.916   8.384  -1.101
  474   1HB   ASN  56          2HB       ASN  56   9.524   9.977  -1.813
  475   2HB   ASN  56          1HB       ASN  56  10.122   8.922  -3.093
  476   1HD2  ASN  56          2HD2      ASN  56   7.700   9.954  -5.447
  477   2HD2  ASN  56          1HD2      ASN  56   9.017   8.936  -5.119
  478    H    ILE  57           H        ILE  57   6.273   7.128  -1.653
  479    HA   ILE  57           HA       ILE  57   6.070   5.005  -3.375
  480    HB   ILE  57           HB       ILE  57   3.954   7.157  -3.100
  481   1HG1  ILE  57          2HG1      ILE  57   4.629   4.764  -1.357
  482   2HG1  ILE  57          1HG1      ILE  57   4.722   6.463  -0.891
  483   1HG2  ILE  57          2HG2      ILE  57   4.066   4.493  -4.332
  484   2HG2  ILE  57          1HG2      ILE  57   2.745   4.668  -3.177
  485   3HG2  ILE  57          3HG2      ILE  57   2.878   5.779  -4.541
  486   1HD1  ILE  57          3HD1      ILE  57   2.172   5.096  -1.776
  487   2HD1  ILE  57          2HD1      ILE  57   2.638   5.306  -0.088
  488   3HD1  ILE  57          1HD1      ILE  57   2.327   6.717  -1.099
  489    H    ALA  58           H        ALA  58   7.407   5.325  -5.199
  490    HA   ALA  58           HA       ALA  58   6.699   7.446  -7.131
  491   1HB   ALA  58          3HB       ALA  58   8.991   5.748  -6.614
  492   2HB   ALA  58          2HB       ALA  58   8.511   5.630  -8.307
  493   3HB   ALA  58          1HB       ALA  58   8.895   7.202  -7.607
  494    H    GLN  59           H        GLN  59   5.937   4.180  -6.430
  495    HA   GLN  59           HA       GLN  59   4.684   3.847  -9.125
  496   1HB   GLN  59          2HB       GLN  59   6.425   2.128  -7.733
  497   2HB   GLN  59          1HB       GLN  59   4.823   1.412  -7.547
  498   1HG   GLN  59          2HG       GLN  59   4.514   1.696 -10.045
  499   2HG   GLN  59          1HG       GLN  59   6.219   2.141 -10.133
  500   1HE2  GLN  59          2HE2      GLN  59   7.150  -1.241 -10.310
  501   2HE2  GLN  59          1HE2      GLN  59   7.403   0.357 -10.825
  502    H    VAL  60           H        VAL  60   2.452   3.586  -9.139
  503    HA   VAL  60           HA       VAL  60   1.080   3.950  -6.564
  504    HB   VAL  60           HB       VAL  60   0.052   3.802  -9.406
  505   1HG1  VAL  60          3HG1      VAL  60  -1.342   3.353  -6.979
  506   2HG1  VAL  60          2HG1      VAL  60  -1.765   4.984  -7.500
  507   3HG1  VAL  60          1HG1      VAL  60  -2.037   3.617  -8.579
  508   1HG2  VAL  60          2HG2      VAL  60   1.347   5.847  -8.012
  509   2HG2  VAL  60          1HG2      VAL  60   0.364   6.039  -9.465
  510   3HG2  VAL  60          3HG2      VAL  60  -0.366   6.247  -7.873
  511    HA   PRO  61           HA       PRO  61   0.191  -0.427  -6.335
  512   1HB   PRO  61          2HB       PRO  61  -1.148  -0.270  -3.940
  513   2HB   PRO  61          1HB       PRO  61   0.619  -0.272  -4.060
  514   1HG   PRO  61          2HG       PRO  61  -1.218   1.996  -3.462
  515   2HG   PRO  61          1HG       PRO  61   0.480   1.779  -3.008
  516   1HD   PRO  61          2HD       PRO  61  -0.485   3.413  -5.115
  517   2HD   PRO  61          1HD       PRO  61   1.207   2.943  -4.843
  518    H    ARG  62           H        ARG  62  -1.882  -1.682  -6.427
  519    HA   ARG  62           HA       ARG  62  -4.353  -0.072  -6.568
  520   1HB   ARG  62          2HB       ARG  62  -2.875  -0.629  -8.891
  521   2HB   ARG  62          1HB       ARG  62  -4.233  -1.754  -8.916
  522   1HG   ARG  62          2HG       ARG  62  -5.239   0.088  -9.891
  523   2HG   ARG  62          1HG       ARG  62  -5.588   0.425  -8.196
  524   1HD   ARG  62          2HD       ARG  62  -4.632   2.390  -9.459
  525   2HD   ARG  62          1HD       ARG  62  -3.701   1.931  -8.033
  526    HE   ARG  62           HE       ARG  62  -2.006   0.992  -9.502
  527   1HH1  ARG  62          1HH2      ARG  62  -3.796   3.498 -10.764
  528   2HH1  ARG  62          2HH2      ARG  62  -3.390   3.206 -12.422
  529   1HH2  ARG  62          2HH1      ARG  62  -1.849   0.165 -11.787
  530   2HH2  ARG  62          1HH1      ARG  62  -2.291   1.318 -13.002
  531    H    VAL  63           H        VAL  63  -6.067  -1.222  -5.870
  532    HA   VAL  63           HA       VAL  63  -5.702  -4.162  -5.496
  533    HB   VAL  63           HB       VAL  63  -6.992  -1.993  -3.910
  534   1HG1  VAL  63          3HG1      VAL  63  -8.026  -4.846  -3.971
  535   2HG1  VAL  63          2HG1      VAL  63  -8.390  -3.686  -2.690
  536   3HG1  VAL  63          1HG1      VAL  63  -8.941  -3.383  -4.340
  537   1HG2  VAL  63          3HG2      VAL  63  -5.308  -4.442  -3.449
  538   2HG2  VAL  63          2HG2      VAL  63  -4.991  -2.773  -2.979
  539   3HG2  VAL  63          1HG2      VAL  63  -6.193  -3.722  -2.106
  540    H    GLY  64           H        GLY  64  -7.687  -1.685  -6.939
  541   1HA   GLY  64          2HA       GLY  64  -9.673  -1.820  -8.202
  542   2HA   GLY  64          1HA       GLY  64  -8.898  -3.255  -8.876
   
  No H/Q in entry =         542
  Start of MODEL           7
 Raw file had  552 H/Q atoms
  Start of MODEL    7
    1   1H    MET   1          3H        MET   1 -13.632   4.642  -6.161
    2   2H    MET   1          2H        MET   1 -14.049   3.067  -5.682
    3   3H    MET   1          1H        MET   1 -15.145   4.346  -5.455
    4    HA   MET   1           HA       MET   1 -13.968   5.254  -3.707
    5   1HB   MET   1          2HB       MET   1 -13.665   2.239  -3.642
    6   2HB   MET   1          1HB       MET   1 -13.370   3.273  -2.245
    7   1HG   MET   1          2HG       MET   1 -15.906   3.897  -3.544
    8   2HG   MET   1          1HG       MET   1 -15.834   2.222  -3.001
    9   1HE   MET   1          2HE       MET   1 -16.205   5.610  -2.582
   10   2HE   MET   1          1HE       MET   1 -16.946   5.781  -0.993
   11   3HE   MET   1          3HE       MET   1 -15.220   6.104  -1.207
   12    H    LYS   2           H        LYS   2 -11.790   4.221  -2.258
   13    HA   LYS   2           HA       LYS   2  -9.576   5.217  -3.910
   14   1HB   LYS   2          2HB       LYS   2  -9.852   5.856  -1.505
   15   2HB   LYS   2          1HB       LYS   2  -9.526   4.182  -1.060
   16   1HG   LYS   2          2HG       LYS   2  -7.388   5.051  -0.903
   17   2HG   LYS   2          1HG       LYS   2  -7.386   4.555  -2.596
   18   1HD   LYS   2          2HD       LYS   2  -6.676   6.731  -2.864
   19   2HD   LYS   2          1HD       LYS   2  -8.419   7.003  -2.914
   20   1HE   LYS   2          2HE       LYS   2  -8.263   7.278  -0.352
   21   2HE   LYS   2          1HE       LYS   2  -6.523   7.430  -0.604
   22   1HZ   LYS   2          2HZ       LYS   2  -7.197   9.155  -2.360
   23   2HZ   LYS   2          1HZ       LYS   2  -8.691   9.190  -1.548
   24   3HZ   LYS   2          3HZ       LYS   2  -7.268   9.599  -0.721
   25    H    THR   3           H        THR   3  -9.824   3.269  -5.398
   26    HA   THR   3           HA       THR   3  -8.424   0.873  -4.270
   27    HB   THR   3           HB       THR   3  -9.853   0.925  -6.926
   28    HG1  THR   3           HG1      THR   3 -11.748   0.664  -5.951
   29   1HG2  THR   3          2HG2      THR   3  -8.392  -0.999  -6.144
   30   2HG2  THR   3          1HG2      THR   3  -9.569  -1.263  -4.857
   31   3HG2  THR   3          3HG2      THR   3 -10.055  -1.433  -6.544
   32    H    GLU   4           H        GLU   4  -7.656   3.645  -5.763
   33    HA   GLU   4           HA       GLU   4  -5.641   2.357  -7.563
   34   1HB   GLU   4          2HB       GLU   4  -7.187   4.934  -7.778
   35   2HB   GLU   4          1HB       GLU   4  -5.618   4.788  -8.562
   36   1HG   GLU   4          2HG       GLU   4  -6.413   2.769  -9.767
   37   2HG   GLU   4          1HG       GLU   4  -7.993   2.946  -9.001
   38    H    TRP   5           H        TRP   5  -6.247   4.992  -5.286
   39    HA   TRP   5           HA       TRP   5  -4.767   6.156  -3.897
   40   1HB   TRP   5          2HB       TRP   5  -2.983   3.801  -4.569
   41   2HB   TRP   5          1HB       TRP   5  -2.615   5.022  -3.345
   42    HD1  TRP   5           HD1      TRP   5  -4.560   5.284  -1.372
   43    HE1  TRP   5           HE1      TRP   5  -5.860   3.409  -0.177
   44    HE3  TRP   5           HE3      TRP   5  -3.982   1.504  -4.765
   45    HZ2  TRP   5           HZ2      TRP   5  -6.539   0.674  -0.589
   46    HZ3  TRP   5           HZ3      TRP   5  -4.956  -0.733  -4.322
   47    HH2  TRP   5           HH2      TRP   5  -6.233  -1.151  -2.240
   48    HA   PRO   6           HA       PRO   6  -2.312   7.319  -7.789
   49   1HB   PRO   6          2HB       PRO   6  -4.004   9.213  -8.855
   50   2HB   PRO   6          1HB       PRO   6  -3.999   7.519  -9.377
   51   1HG   PRO   6          2HG       PRO   6  -5.951   8.940  -7.611
   52   2HG   PRO   6          1HG       PRO   6  -6.215   7.566  -8.697
   53   1HD   PRO   6          2HD       PRO   6  -5.951   7.374  -5.913
   54   2HD   PRO   6          1HD       PRO   6  -5.737   6.039  -7.057
   55    H    GLU   7           H        GLU   7  -4.416   8.886  -5.572
   56    HA   GLU   7           HA       GLU   7  -3.018  11.426  -5.407
   57   1HB   GLU   7          2HB       GLU   7  -5.348  10.265  -4.273
   58   2HB   GLU   7          1HB       GLU   7  -4.294  10.706  -2.928
   59   1HG   GLU   7          2HG       GLU   7  -4.380  12.765  -5.007
   60   2HG   GLU   7          1HG       GLU   7  -5.967  12.443  -4.307
   61    H    LEU   8           H        LEU   8  -2.386   8.231  -4.308
   62    HA   LEU   8           HA       LEU   8  -0.758   9.055  -2.025
   63   1HB   LEU   8          2HB       LEU   8  -0.936   6.377  -3.433
   64   2HB   LEU   8          1HB       LEU   8  -0.135   6.673  -1.893
   65    HG   LEU   8           HG       LEU   8  -3.071   6.654  -2.528
   66   1HD1  LEU   8          2HD1      LEU   8  -1.233   5.501  -0.433
   67   2HD1  LEU   8          1HD1      LEU   8  -2.981   5.534  -0.199
   68   3HD1  LEU   8          3HD1      LEU   8  -2.289   4.643  -1.556
   69   1HD2  LEU   8          3HD2      LEU   8  -1.788   8.098  -0.181
   70   2HD2  LEU   8          2HD2      LEU   8  -2.655   8.871  -1.507
   71   3HD2  LEU   8          1HD2      LEU   8  -3.517   7.817  -0.387
   72    H    VAL   9           H        VAL   9  -0.342   9.151  -5.340
   73    HA   VAL   9           HA       VAL   9   2.297   8.211  -5.716
   74    HB   VAL   9           HB       VAL   9   0.750  10.448  -7.031
   75   1HG1  VAL   9          1HG1      VAL   9   3.265  10.919  -7.018
   76   2HG1  VAL   9          3HG1      VAL   9   3.460   9.417  -7.927
   77   3HG1  VAL   9          2HG1      VAL   9   2.538  10.751  -8.620
   78   1HG2  VAL   9          3HG2      VAL   9   0.189   8.003  -7.408
   79   2HG2  VAL   9          2HG2      VAL   9   0.614   8.896  -8.869
   80   3HG2  VAL   9          1HG2      VAL   9   1.793   7.821  -8.118
   81    H    GLY  10           H        GLY  10   4.310   9.220  -5.568
   82   1HA   GLY  10          2HA       GLY  10   5.916  10.629  -4.629
   83   2HA   GLY  10          1HA       GLY  10   4.733  11.916  -4.851
   84    H    LYS  11           H        LYS  11   3.459   9.415  -2.922
   85    HA   LYS  11           HA       LYS  11   3.825  11.130  -0.530
   86   1HB   LYS  11          2HB       LYS  11   1.618   9.810  -1.491
   87   2HB   LYS  11          1HB       LYS  11   2.197   8.687  -0.262
   88   1HG   LYS  11          2HG       LYS  11   1.071  10.021   1.194
   89   2HG   LYS  11          1HG       LYS  11   2.462  11.092   1.029
   90   1HD   LYS  11          2HD       LYS  11   1.354  12.336  -0.748
   91   2HD   LYS  11          1HD       LYS  11  -0.006  11.212  -0.727
   92   1HE   LYS  11          2HE       LYS  11  -0.981  12.487   0.846
   93   2HE   LYS  11          1HE       LYS  11   0.341  12.087   1.941
   94   1HZ   LYS  11          3HZ       LYS  11   0.882  14.132  -0.057
   95   2HZ   LYS  11          2HZ       LYS  11  -0.204  14.559   1.177
   96   3HZ   LYS  11          1HZ       LYS  11   1.368  14.044   1.566
   97    H    SER  12           H        SER  12   3.323   8.654   1.182
   98    HA   SER  12           HA       SER  12   5.942   7.283   0.849
   99   1HB   SER  12          2HB       SER  12   5.352   9.286   2.821
  100   2HB   SER  12          1HB       SER  12   5.588   7.735   3.630
  101    HG   SER  12           HG       SER  12   7.352   9.286   2.127
  102    H    VAL  13           H        VAL  13   6.075   5.299   2.197
  103    HA   VAL  13           HA       VAL  13   3.920   3.570   1.951
  104    HB   VAL  13           HB       VAL  13   5.987   3.617   4.170
  105   1HG1  VAL  13          3HG1      VAL  13   4.073   1.451   3.260
  106   2HG1  VAL  13          2HG1      VAL  13   5.420   1.186   4.366
  107   3HG1  VAL  13          1HG1      VAL  13   4.089   2.246   4.833
  108   1HG2  VAL  13          1HG2      VAL  13   5.847   2.315   1.443
  109   2HG2  VAL  13          3HG2      VAL  13   7.088   3.401   2.064
  110   3HG2  VAL  13          2HG2      VAL  13   6.958   1.761   2.695
  111    H    GLU  14           H        GLU  14   4.596   5.812   4.608
  112    HA   GLU  14           HA       GLU  14   2.754   5.056   6.528
  113   1HB   GLU  14          2HB       GLU  14   3.606   7.767   5.533
  114   2HB   GLU  14          1HB       GLU  14   2.368   7.634   6.782
  115   1HG   GLU  14          2HG       GLU  14   3.872   7.033   8.366
  116   2HG   GLU  14          1HG       GLU  14   4.700   5.918   7.277
  117    H    GLU  15           H        GLU  15   1.842   7.648   4.249
  118    HA   GLU  15           HA       GLU  15  -0.946   7.330   4.558
  119   1HB   GLU  15          2HB       GLU  15   0.704   8.961   3.046
  120   2HB   GLU  15          1HB       GLU  15  -0.150   8.024   1.819
  121   1HG   GLU  15          2HG       GLU  15  -1.595   9.841   2.194
  122   2HG   GLU  15          1HG       GLU  15  -2.280   8.570   3.207
  123    H    ALA  16           H        ALA  16   1.314   5.555   2.499
  124    HA   ALA  16           HA       ALA  16  -0.627   4.289   0.840
  125   1HB   ALA  16          3HB       ALA  16   2.090   3.299   1.750
  126   2HB   ALA  16          2HB       ALA  16   1.138   2.565   0.459
  127   3HB   ALA  16          1HB       ALA  16   1.745   4.212   0.281
  128    H    LYS  17           H        LYS  17   1.222   2.263   3.092
  129    HA   LYS  17           HA       LYS  17  -0.762   0.313   3.406
  130   1HB   LYS  17          2HB       LYS  17   1.723   0.583   4.397
  131   2HB   LYS  17          1HB       LYS  17   0.805   0.995   5.847
  132   1HG   LYS  17          2HG       LYS  17   0.012  -1.425   4.259
  133   2HG   LYS  17          1HG       LYS  17   1.400  -1.526   5.345
  134   1HD   LYS  17          2HD       LYS  17  -1.020  -0.231   6.470
  135   2HD   LYS  17          1HD       LYS  17  -1.153  -1.961   6.154
  136   1HE   LYS  17          2HE       LYS  17  -0.025  -2.342   8.064
  137   2HE   LYS  17          1HE       LYS  17   1.387  -1.586   7.324
  138   1HZ   LYS  17          2HZ       LYS  17  -0.768  -0.051   8.664
  139   2HZ   LYS  17          1HZ       LYS  17   0.639  -0.571   9.462
  140   3HZ   LYS  17          3HZ       LYS  17   0.754   0.517   8.166
  141    H    LYS  18           H        LYS  18  -0.497   3.428   4.916
  142    HA   LYS  18           HA       LYS  18  -2.262   3.174   7.101
  143   1HB   LYS  18          2HB       LYS  18  -0.932   5.171   6.792
  144   2HB   LYS  18          1HB       LYS  18  -1.731   5.520   5.257
  145   1HG   LYS  18          2HG       LYS  18  -2.924   6.917   6.671
  146   2HG   LYS  18          1HG       LYS  18  -3.912   5.463   6.788
  147   1HD   LYS  18          2HD       LYS  18  -2.978   4.858   8.880
  148   2HD   LYS  18          1HD       LYS  18  -1.617   5.963   8.683
  149   1HE   LYS  18          2HE       LYS  18  -4.518   6.725   9.113
  150   2HE   LYS  18          1HE       LYS  18  -3.192   6.946  10.252
  151   1HZ   LYS  18          2HZ       LYS  18  -2.125   8.297   8.391
  152   2HZ   LYS  18          1HZ       LYS  18  -3.675   8.338   7.696
  153   3HZ   LYS  18          3HZ       LYS  18  -3.420   9.005   9.234
  154    H    VAL  19           H        VAL  19  -3.267   4.982   4.211
  155    HA   VAL  19           HA       VAL  19  -6.054   4.414   4.712
  156    HB   VAL  19           HB       VAL  19  -5.099   5.268   2.001
  157   1HG1  VAL  19          1HG1      VAL  19  -7.533   5.203   3.388
  158   2HG1  VAL  19          3HG1      VAL  19  -7.060   6.901   3.396
  159   3HG1  VAL  19          2HG1      VAL  19  -7.215   6.037   1.866
  160   1HG2  VAL  19          1HG2      VAL  19  -4.710   6.755   4.598
  161   2HG2  VAL  19          3HG2      VAL  19  -3.591   6.594   3.243
  162   3HG2  VAL  19          2HG2      VAL  19  -5.006   7.641   3.103
  163    H    ILE  20           H        ILE  20  -3.721   3.136   2.354
  164    HA   ILE  20           HA       ILE  20  -5.364   1.511   0.808
  165    HB   ILE  20           HB       ILE  20  -2.611   0.870   1.907
  166   1HG1  ILE  20          2HG1      ILE  20  -3.312   1.764  -0.883
  167   2HG1  ILE  20          1HG1      ILE  20  -3.074   2.948   0.401
  168   1HG2  ILE  20          1HG2      ILE  20  -4.395  -0.512  -0.075
  169   2HG2  ILE  20          3HG2      ILE  20  -2.647  -0.557  -0.300
  170   3HG2  ILE  20          2HG2      ILE  20  -3.362  -1.214   1.171
  171   1HD1  ILE  20          2HD1      ILE  20  -0.891   1.383   0.783
  172   2HD1  ILE  20          1HD1      ILE  20  -1.102   1.204  -0.959
  173   3HD1  ILE  20          3HD1      ILE  20  -0.889   2.806  -0.258
  174    H    LEU  21           H        LEU  21  -3.758   0.490   3.854
  175    HA   LEU  21           HA       LEU  21  -4.646  -2.056   4.218
  176   1HB   LEU  21          2HB       LEU  21  -3.402  -0.834   5.944
  177   2HB   LEU  21          1HB       LEU  21  -4.840   0.126   6.313
  178    HG   LEU  21           HG       LEU  21  -5.475  -2.698   6.357
  179   1HD1  LEU  21          1HD1      LEU  21  -2.901  -1.928   7.490
  180   2HD1  LEU  21          3HD1      LEU  21  -3.991  -2.570   8.719
  181   3HD1  LEU  21          2HD1      LEU  21  -3.601  -3.536   7.296
  182   1HD2  LEU  21          1HD2      LEU  21  -6.093  -0.274   7.710
  183   2HD2  LEU  21          3HD2      LEU  21  -6.889  -1.839   7.883
  184   3HD2  LEU  21          2HD2      LEU  21  -5.533  -1.419   8.930
  185    H    GLN  22           H        GLN  22  -6.734   0.793   4.456
  186    HA   GLN  22           HA       GLN  22  -9.047  -1.058   4.279
  187   1HB   GLN  22          2HB       GLN  22  -8.325   0.495   6.608
  188   2HB   GLN  22          1HB       GLN  22  -9.883   1.031   5.977
  189   1HG   GLN  22          2HG       GLN  22 -10.751  -1.241   6.035
  190   2HG   GLN  22          1HG       GLN  22  -9.171  -1.879   6.496
  191   1HE2  GLN  22          1HE2      GLN  22  -8.281  -0.834   8.643
  192   2HE2  GLN  22          2HE2      GLN  22  -9.418  -0.580   9.878
  193    H    ASP  23           H        ASP  23  -8.287   0.179   2.065
  194    HA   ASP  23           HA       ASP  23  -9.284   2.878   1.770
  195   1HB   ASP  23          2HB       ASP  23  -9.035   2.474  -0.650
  196   2HB   ASP  23          1HB       ASP  23  -7.600   1.954   0.228
  197    H    LYS  24           H        LYS  24 -10.673  -0.326   1.446
  198    HA   LYS  24           HA       LYS  24 -13.323   0.959   1.144
  199   1HB   LYS  24          2HB       LYS  24 -12.235  -1.300  -0.558
  200   2HB   LYS  24          1HB       LYS  24 -13.955  -0.915  -0.456
  201   1HG   LYS  24          2HG       LYS  24 -13.697   0.792  -1.897
  202   2HG   LYS  24          1HG       LYS  24 -12.403   1.481  -0.915
  203   1HD   LYS  24          2HD       LYS  24 -11.670   0.852  -3.241
  204   2HD   LYS  24          1HD       LYS  24 -10.755   0.042  -1.969
  205   1HE   LYS  24          2HE       LYS  24 -11.313  -1.924  -2.909
  206   2HE   LYS  24          1HE       LYS  24 -12.985  -1.606  -2.450
  207   1HZ   LYS  24          2HZ       LYS  24 -12.844  -0.121  -4.616
  208   2HZ   LYS  24          1HZ       LYS  24 -11.671  -1.277  -5.032
  209   3HZ   LYS  24          3HZ       LYS  24 -13.255  -1.768  -4.676
  210    HA   PRO  25           HA       PRO  25 -14.295  -2.732   3.737
  211   1HB   PRO  25          2HB       PRO  25 -13.443  -5.267   3.096
  212   2HB   PRO  25          1HB       PRO  25 -14.906  -4.541   2.408
  213   1HG   PRO  25          2HG       PRO  25 -12.252  -4.989   1.125
  214   2HG   PRO  25          1HG       PRO  25 -13.857  -4.877   0.382
  215   1HD   PRO  25          2HD       PRO  25 -11.911  -2.828   0.417
  216   2HD   PRO  25          1HD       PRO  25 -13.628  -2.648  -0.004
  217    H    GLU  26           H        GLU  26 -11.314  -4.265   2.548
  218    HA   GLU  26           HA       GLU  26  -9.608  -3.086   4.579
  219   1HB   GLU  26          2HB       GLU  26  -9.912  -6.080   4.799
  220   2HB   GLU  26          1HB       GLU  26  -9.167  -4.956   5.934
  221   1HG   GLU  26          2HG       GLU  26 -11.371  -4.024   6.487
  222   2HG   GLU  26          1HG       GLU  26 -12.135  -5.108   5.322
  223    H    ALA  27           H        ALA  27  -8.812  -2.679   2.262
  224    HA   ALA  27           HA       ALA  27  -7.548  -5.017   1.003
  225   1HB   ALA  27          3HB       ALA  27  -7.602  -2.083   0.226
  226   2HB   ALA  27          2HB       ALA  27  -6.818  -3.344  -0.721
  227   3HB   ALA  27          1HB       ALA  27  -8.565  -3.377  -0.490
  228    H    GLN  28           H        GLN  28  -5.615  -5.674   1.798
  229    HA   GLN  28           HA       GLN  28  -3.902  -3.765   3.259
  230   1HB   GLN  28          2HB       GLN  28  -4.414  -6.434   3.615
  231   2HB   GLN  28          1HB       GLN  28  -2.884  -6.487   2.735
  232   1HG   GLN  28          2HG       GLN  28  -2.637  -4.421   4.661
  233   2HG   GLN  28          1HG       GLN  28  -3.344  -5.804   5.496
  234   1HE2  GLN  28          2HE2      GLN  28  -0.086  -7.128   5.796
  235   2HE2  GLN  28          1HE2      GLN  28  -1.500  -6.623   6.588
  236    H    ILE  29           H        ILE  29  -1.448  -3.977   2.726
  237    HA   ILE  29           HA       ILE  29  -0.964  -4.476  -0.132
  238    HB   ILE  29           HB       ILE  29  -1.691  -2.142  -0.112
  239   1HG1  ILE  29          2HG1      ILE  29   1.316  -2.208  -0.376
  240   2HG1  ILE  29          1HG1      ILE  29   0.259  -3.012  -1.535
  241   1HG2  ILE  29          2HG2      ILE  29   0.490  -1.884   1.973
  242   2HG2  ILE  29          1HG2      ILE  29  -0.172  -0.496   1.110
  243   3HG2  ILE  29          3HG2      ILE  29  -1.215  -1.472   2.145
  244   1HD1  ILE  29          3HD1      ILE  29  -0.918  -0.842  -1.912
  245   2HD1  ILE  29          2HD1      ILE  29   0.242  -0.062  -0.834
  246   3HD1  ILE  29          1HD1      ILE  29   0.788  -0.772  -2.353
  247    H    ILE  30           H        ILE  30   1.173  -4.855  -0.623
  248    HA   ILE  30           HA       ILE  30   2.952  -5.454   1.655
  249    HB   ILE  30           HB       ILE  30   2.693  -6.260  -1.191
  250   1HG1  ILE  30          2HG1      ILE  30   3.297  -8.430  -0.311
  251   2HG1  ILE  30          1HG1      ILE  30   3.877  -7.712   1.190
  252   1HG2  ILE  30          2HG2      ILE  30   5.359  -5.708   0.054
  253   2HG2  ILE  30          1HG2      ILE  30   5.182  -7.109  -1.001
  254   3HG2  ILE  30          3HG2      ILE  30   4.837  -5.494  -1.619
  255   1HD1  ILE  30          3HD1      ILE  30   1.192  -6.831   0.803
  256   2HD1  ILE  30          2HD1      ILE  30   1.223  -8.574   0.544
  257   3HD1  ILE  30          1HD1      ILE  30   1.814  -7.896   2.061
  258    H    VAL  31           H        VAL  31   5.175  -4.533   1.671
  259    HA   VAL  31           HA       VAL  31   5.333  -2.048   0.041
  260    HB   VAL  31           HB       VAL  31   6.492  -2.154   2.803
  261   1HG1  VAL  31          1HG1      VAL  31   6.038  -0.197   0.697
  262   2HG1  VAL  31          3HG1      VAL  31   5.377   0.331   2.245
  263   3HG1  VAL  31          2HG1      VAL  31   7.083  -0.095   2.114
  264   1HG2  VAL  31          2HG2      VAL  31   4.130  -2.870   3.009
  265   2HG2  VAL  31          1HG2      VAL  31   4.375  -1.257   3.685
  266   3HG2  VAL  31          3HG2      VAL  31   3.631  -1.445   2.097
  267    H    LEU  32           H        LEU  32   6.994  -2.178  -1.283
  268    HA   LEU  32           HA       LEU  32   9.630  -3.135  -0.315
  269   1HB   LEU  32          2HB       LEU  32   9.919  -4.375  -2.496
  270   2HB   LEU  32          1HB       LEU  32   8.720  -5.092  -1.441
  271    HG   LEU  32           HG       LEU  32   8.079  -3.219  -3.716
  272   1HD1  LEU  32          3HD1      LEU  32   8.806  -6.033  -3.617
  273   2HD1  LEU  32          2HD1      LEU  32   7.171  -5.828  -4.240
  274   3HD1  LEU  32          1HD1      LEU  32   8.525  -5.011  -5.025
  275   1HD2  LEU  32          1HD2      LEU  32   6.561  -4.462  -1.533
  276   2HD2  LEU  32          3HD2      LEU  32   6.072  -3.180  -2.642
  277   3HD2  LEU  32          2HD2      LEU  32   5.909  -4.870  -3.122
  278    HA   PRO  33           HA       PRO  33  10.979   0.315  -2.596
  279   1HB   PRO  33          2HB       PRO  33  13.358  -0.518  -3.675
  280   2HB   PRO  33          1HB       PRO  33  13.132  -0.177  -1.952
  281   1HG   PRO  33          2HG       PRO  33  13.319  -2.827  -3.330
  282   2HG   PRO  33          1HG       PRO  33  13.820  -2.370  -1.689
  283   1HD   PRO  33          2HD       PRO  33  11.465  -3.738  -2.330
  284   2HD   PRO  33          1HD       PRO  33  11.764  -2.892  -0.800
  285    H    VAL  34           H        VAL  34  12.640  -1.622  -4.940
  286    HA   VAL  34           HA       VAL  34  10.398  -1.725  -6.812
  287    HB   VAL  34           HB       VAL  34  11.614  -0.275  -8.498
  288   1HG1  VAL  34          2HG1      VAL  34   9.695   0.543  -7.086
  289   2HG1  VAL  34          1HG1      VAL  34  10.869   1.150  -5.919
  290   3HG1  VAL  34          3HG1      VAL  34  10.817   1.819  -7.550
  291   1HG2  VAL  34          1HG2      VAL  34  13.630  -0.464  -6.548
  292   2HG2  VAL  34          3HG2      VAL  34  13.660   0.537  -8.003
  293   3HG2  VAL  34          2HG2      VAL  34  13.076   1.212  -6.481
  294    H    GLY  35           H        GLY  35  12.888  -3.204  -5.553
  295   1HA   GLY  35          2HA       GLY  35  13.361  -4.866  -7.910
  296   2HA   GLY  35          1HA       GLY  35  14.788  -4.009  -7.324
  297    H    THR  36           H        THR  36  15.429  -4.394  -5.066
  298    HA   THR  36           HA       THR  36  14.897  -7.212  -4.306
  299    HB   THR  36           HB       THR  36  16.821  -6.701  -2.662
  300    HG1  THR  36           HG1      THR  36  17.604  -4.764  -2.716
  301   1HG2  THR  36          1HG2      THR  36  16.960  -7.900  -4.911
  302   2HG2  THR  36          3HG2      THR  36  17.502  -6.364  -5.587
  303   3HG2  THR  36          2HG2      THR  36  18.455  -7.162  -4.337
  304    H    ILE  37           H        ILE  37  14.043  -7.766  -2.271
  305    HA   ILE  37           HA       ILE  37  12.357  -5.764  -1.012
  306    HB   ILE  37           HB       ILE  37  13.046  -8.525   0.033
  307   1HG1  ILE  37          2HG1      ILE  37  10.603  -7.952  -1.605
  308   2HG1  ILE  37          1HG1      ILE  37  12.135  -8.193  -2.445
  309   1HG2  ILE  37          2HG2      ILE  37  10.691  -6.653   0.421
  310   2HG2  ILE  37          1HG2      ILE  37  10.734  -8.320   0.994
  311   3HG2  ILE  37          3HG2      ILE  37  11.867  -7.134   1.643
  312   1HD1  ILE  37          3HD1      ILE  37  11.807 -10.193  -0.382
  313   2HD1  ILE  37          2HD1      ILE  37  10.409 -10.191  -1.459
  314   3HD1  ILE  37          1HD1      ILE  37  12.030 -10.416  -2.118
  315    H    VAL  38           H        VAL  38  13.575  -4.162  -0.029
  316    HA   VAL  38           HA       VAL  38  15.206  -3.196   1.381
  317    HB   VAL  38           HB       VAL  38  15.017  -4.491   3.734
  318   1HG1  VAL  38          2HG1      VAL  38  13.676  -2.329   2.409
  319   2HG1  VAL  38          1HG1      VAL  38  12.507  -3.192   3.406
  320   3HG1  VAL  38          3HG1      VAL  38  13.974  -2.542   4.134
  321   1HG2  VAL  38          3HG2      VAL  38  12.601  -5.346   2.112
  322   2HG2  VAL  38          2HG2      VAL  38  13.785  -6.403   2.879
  323   3HG2  VAL  38          1HG2      VAL  38  12.691  -5.439   3.872
  324    H    THR  39           H        THR  39  15.647  -6.180   3.133
  325    HA   THR  39           HA       THR  39  18.286  -6.544   1.779
  326    HB   THR  39           HB       THR  39  19.295  -7.016   3.968
  327    HG1  THR  39           HG1      THR  39  17.752  -6.251   5.755
  328   1HG2  THR  39          1HG2      THR  39  18.630  -4.549   2.991
  329   2HG2  THR  39          3HG2      THR  39  17.933  -4.478   4.608
  330   3HG2  THR  39          2HG2      THR  39  19.652  -4.813   4.404
  331   1H    GLU  41          2H        GLU  41 -13.344  -7.055 -10.271
  332   2H    GLU  41          1H        GLU  41 -14.760  -6.456 -10.994
  333   3H    GLU  41          3H        GLU  41 -14.215  -5.800  -9.528
  334    HA   GLU  41           HA       GLU  41 -15.861  -7.170  -8.765
  335   1HB   GLU  41          2HB       GLU  41 -15.745  -8.204 -11.320
  336   2HB   GLU  41          1HB       GLU  41 -15.232  -9.576 -10.334
  337   1HG   GLU  41          2HG       GLU  41 -17.664  -7.941  -9.609
  338   2HG   GLU  41          1HG       GLU  41 -17.768  -9.295 -10.734
  339    H    TYR  42           H        TYR  42 -13.224  -6.824  -7.847
  340    HA   TYR  42           HA       TYR  42 -12.940  -9.162  -6.160
  341   1HB   TYR  42          2HB       TYR  42 -11.783  -9.610  -8.536
  342   2HB   TYR  42          1HB       TYR  42 -10.474  -8.699  -7.784
  343    HD1  TYR  42           HD2      TYR  42  -9.816  -9.429  -5.353
  344    HD2  TYR  42           HD1      TYR  42 -11.985 -11.906  -8.103
  345    HE1  TYR  42           HE2      TYR  42  -9.147 -11.429  -4.064
  346    HE2  TYR  42           HE1      TYR  42 -11.323 -13.913  -6.815
  347    HH   TYR  42           HH       TYR  42  -9.135 -13.667  -4.017
  348    H    ARG  43           H        ARG  43 -11.927  -8.516  -4.272
  349    HA   ARG  43           HA       ARG  43 -10.480  -5.891  -4.349
  350   1HB   ARG  43          2HB       ARG  43 -11.457  -5.279  -2.269
  351   2HB   ARG  43          1HB       ARG  43 -12.791  -5.919  -3.226
  352   1HG   ARG  43          2HG       ARG  43 -11.964  -8.208  -2.054
  353   2HG   ARG  43          1HG       ARG  43 -11.471  -7.058  -0.808
  354   1HD   ARG  43          2HD       ARG  43 -13.845  -6.065  -1.053
  355   2HD   ARG  43          1HD       ARG  43 -14.243  -7.552  -1.914
  356    HE   ARG  43           HE       ARG  43 -13.270  -7.502   0.916
  357   1HH1  ARG  43          1HH2      ARG  43 -13.061 -10.186   0.059
  358   2HH1  ARG  43          2HH2      ARG  43 -14.653 -10.848   0.217
  359   1HH2  ARG  43          2HH1      ARG  43 -16.210  -7.751   0.372
  360   2HH2  ARG  43          1HH1      ARG  43 -16.438  -9.469   0.400
  361    H    ILE  44           H        ILE  44  -8.860  -8.013  -4.723
  362    HA   ILE  44           HA       ILE  44  -8.046  -9.542  -2.531
  363    HB   ILE  44           HB       ILE  44  -6.969  -9.775  -4.735
  364   1HG1  ILE  44          2HG1      ILE  44  -4.587  -9.076  -3.217
  365   2HG1  ILE  44          1HG1      ILE  44  -5.786  -9.871  -2.191
  366   1HG2  ILE  44          1HG2      ILE  44  -6.587  -6.959  -4.418
  367   2HG2  ILE  44          3HG2      ILE  44  -4.994  -7.711  -4.523
  368   3HG2  ILE  44          2HG2      ILE  44  -6.174  -7.960  -5.811
  369   1HD1  ILE  44          3HD1      ILE  44  -5.997 -11.607  -4.085
  370   2HD1  ILE  44          2HD1      ILE  44  -4.508 -10.913  -4.727
  371   3HD1  ILE  44          1HD1      ILE  44  -4.517 -11.651  -3.126
  372    H    ASP  45           H        ASP  45  -6.998  -9.094  -0.635
  373    HA   ASP  45           HA       ASP  45  -6.707  -6.243   0.003
  374   1HB   ASP  45          2HB       ASP  45  -6.991  -6.856   2.206
  375   2HB   ASP  45          1HB       ASP  45  -7.791  -8.208   1.405
  376    H    ARG  46           H        ARG  46  -4.801  -7.248  -1.830
  377    HA   ARG  46           HA       ARG  46  -2.337  -6.687  -0.271
  378   1HB   ARG  46          2HB       ARG  46  -2.647  -9.220  -0.685
  379   2HB   ARG  46          1HB       ARG  46  -2.369  -8.853  -2.388
  380   1HG   ARG  46          2HG       ARG  46  -0.350  -7.484  -0.963
  381   2HG   ARG  46          1HG       ARG  46  -0.437  -9.095  -0.252
  382   1HD   ARG  46          2HD       ARG  46  -0.543  -8.949  -3.222
  383   2HD   ARG  46          1HD       ARG  46   1.006  -8.567  -2.469
  384    HE   ARG  46           HE       ARG  46   0.919 -10.828  -1.409
  385   1HH1  ARG  46          2HH1      ARG  46  -2.113 -10.907  -2.342
  386   2HH1  ARG  46          1HH1      ARG  46  -2.003 -12.181  -3.509
  387   1HH2  ARG  46          1HH2      ARG  46   1.461 -12.135  -3.626
  388   2HH2  ARG  46          2HH2      ARG  46   0.020 -12.878  -4.235
  389    H    VAL  47           H        VAL  47  -0.777  -5.561  -1.536
  390    HA   VAL  47           HA       VAL  47  -1.339  -5.087  -4.388
  391    HB   VAL  47           HB       VAL  47  -1.372  -2.835  -2.356
  392   1HG1  VAL  47          1HG1      VAL  47  -1.243  -2.961  -5.350
  393   2HG1  VAL  47          3HG1      VAL  47  -2.099  -1.635  -4.571
  394   3HG1  VAL  47          2HG1      VAL  47  -0.384  -1.889  -4.244
  395   1HG2  VAL  47          2HG2      VAL  47  -3.483  -4.173  -4.046
  396   2HG2  VAL  47          1HG2      VAL  47  -3.487  -3.910  -2.303
  397   3HG2  VAL  47          3HG2      VAL  47  -3.694  -2.546  -3.399
  398    H    ARG  48           H        ARG  48   0.464  -3.612  -5.309
  399    HA   ARG  48           HA       ARG  48   3.012  -4.434  -4.018
  400   1HB   ARG  48          2HB       ARG  48   2.268  -3.544  -6.805
  401   2HB   ARG  48          1HB       ARG  48   3.952  -3.594  -6.277
  402   1HG   ARG  48          2HG       ARG  48   1.996  -5.914  -6.322
  403   2HG   ARG  48          1HG       ARG  48   3.414  -5.709  -7.353
  404   1HD   ARG  48          2HD       ARG  48   4.610  -5.486  -4.951
  405   2HD   ARG  48          1HD       ARG  48   3.254  -6.516  -4.490
  406    HE   ARG  48           HE       ARG  48   5.497  -7.296  -6.196
  407   1HH1  ARG  48          2HH1      ARG  48   2.665  -7.782  -7.445
  408   2HH1  ARG  48          1HH1      ARG  48   2.439  -9.445  -7.014
  409   1HH2  ARG  48          1HH2      ARG  48   5.022  -9.473  -4.701
  410   2HH2  ARG  48          2HH2      ARG  48   3.776 -10.401  -5.465
  411    H    LEU  49           H        LEU  49   3.301  -2.798  -2.414
  412    HA   LEU  49           HA       LEU  49   3.110   0.015  -3.312
  413   1HB   LEU  49          2HB       LEU  49   2.366  -0.860  -0.982
  414   2HB   LEU  49          1HB       LEU  49   4.082  -0.848  -0.596
  415    HG   LEU  49           HG       LEU  49   2.250   1.457  -1.171
  416   1HD1  LEU  49          2HD1      LEU  49   4.098   0.512   0.921
  417   2HD1  LEU  49          1HD1      LEU  49   4.194   2.243   0.592
  418   3HD1  LEU  49          3HD1      LEU  49   2.656   1.520   1.062
  419   1HD2  LEU  49          2HD2      LEU  49   4.106   1.598  -2.877
  420   2HD2  LEU  49          1HD2      LEU  49   4.132   2.919  -1.706
  421   3HD2  LEU  49          3HD2      LEU  49   5.265   1.578  -1.548
  422    H    PHE  50           H        PHE  50   4.879  -0.135  -4.827
  423    HA   PHE  50           HA       PHE  50   7.566  -0.768  -3.925
  424   1HB   PHE  50          2HB       PHE  50   6.335   0.494  -6.361
  425   2HB   PHE  50          1HB       PHE  50   8.089   0.489  -6.148
  426    HD1  PHE  50           HD2      PHE  50   6.425  -2.281  -4.571
  427    HD2  PHE  50           HD1      PHE  50   8.012  -0.902  -8.316
  428    HE1  PHE  50           HE2      PHE  50   6.466  -4.603  -5.407
  429    HE2  PHE  50           HE1      PHE  50   8.064  -3.234  -9.148
  430    HZ   PHE  50           HZ       PHE  50   7.293  -5.090  -7.695
  431    H    VAL  51           H        VAL  51   9.198   0.817  -3.317
  432    HA   VAL  51           HA       VAL  51   8.150   3.595  -3.020
  433    HB   VAL  51           HB       VAL  51   9.566   3.721  -0.923
  434   1HG1  VAL  51          2HG1      VAL  51   6.979   3.030  -1.236
  435   2HG1  VAL  51          1HG1      VAL  51   7.573   1.572  -0.441
  436   3HG1  VAL  51          3HG1      VAL  51   7.751   3.139   0.346
  437   1HG2  VAL  51          2HG2      VAL  51   9.571   0.715  -1.298
  438   2HG2  VAL  51          1HG2      VAL  51  10.982   1.764  -1.401
  439   3HG2  VAL  51          3HG2      VAL  51  10.142   1.565   0.135
  440    H    ASP  52           H        ASP  52  10.104   5.110  -2.451
  441    HA   ASP  52           HA       ASP  52  12.264   4.501  -4.418
  442   1HB   ASP  52          2HB       ASP  52  11.893   6.549  -5.299
  443   2HB   ASP  52          1HB       ASP  52  10.478   6.675  -4.252
  444    H    LYS  53           H        LYS  53  14.211   6.292  -3.673
  445    HA   LYS  53           HA       LYS  53  15.532   5.044  -1.548
  446   1HB   LYS  53          2HB       LYS  53  16.952   7.074  -1.458
  447   2HB   LYS  53          1HB       LYS  53  16.679   6.505  -3.104
  448   1HG   LYS  53          2HG       LYS  53  14.619   8.174  -2.963
  449   2HG   LYS  53          1HG       LYS  53  15.635   8.955  -1.752
  450   1HD   LYS  53          2HD       LYS  53  16.841   8.162  -4.383
  451   2HD   LYS  53          1HD       LYS  53  15.865   9.628  -4.290
  452   1HE   LYS  53          2HE       LYS  53  17.382  10.719  -2.947
  453   2HE   LYS  53          1HE       LYS  53  17.921   9.231  -2.169
  454   1HZ   LYS  53          3HZ       LYS  53  19.069   8.633  -4.218
  455   2HZ   LYS  53          2HZ       LYS  53  18.570  10.088  -4.937
  456   3HZ   LYS  53          1HZ       LYS  53  19.632  10.113  -3.611
  457    H    LEU  54           H        LEU  54  13.737   8.159  -1.331
  458    HA   LEU  54           HA       LEU  54  13.876   7.992   1.612
  459   1HB   LEU  54          2HB       LEU  54  13.565  10.095  -0.304
  460   2HB   LEU  54          1HB       LEU  54  12.137  10.085   0.731
  461    HG   LEU  54           HG       LEU  54  14.849   9.823   1.988
  462   1HD1  LEU  54          2HD1      LEU  54  13.578  12.351   0.916
  463   2HD1  LEU  54          1HD1      LEU  54  14.778  12.370   2.210
  464   3HD1  LEU  54          3HD1      LEU  54  15.208  11.748   0.618
  465   1HD2  LEU  54          3HD2      LEU  54  12.072  10.386   2.767
  466   2HD2  LEU  54          2HD2      LEU  54  13.408   9.771   3.741
  467   3HD2  LEU  54          1HD2      LEU  54  13.233  11.506   3.479
  468    H    ASP  55           H        ASP  55  12.446   5.913   0.278
  469    HA   ASP  55           HA       ASP  55  10.372   4.822   0.296
  470   1HB   ASP  55          2HB       ASP  55   9.063   6.176   2.451
  471   2HB   ASP  55          1HB       ASP  55   9.810   4.576   2.457
  472    H    ASN  56           H        ASN  56  10.354   6.727  -1.603
  473    HA   ASN  56           HA       ASN  56   7.882   8.326  -1.198
  474   1HB   ASN  56          2HB       ASN  56   9.765   9.611  -2.035
  475   2HB   ASN  56          1HB       ASN  56  10.022   8.444  -3.337
  476   1HD2  ASN  56          2HD2      ASN  56   7.759  10.094  -5.456
  477   2HD2  ASN  56          1HD2      ASN  56   9.125   9.098  -5.290
  478    H    ILE  57           H        ILE  57   6.090   7.278  -1.765
  479    HA   ILE  57           HA       ILE  57   5.901   4.950  -3.315
  480    HB   ILE  57           HB       ILE  57   3.809   7.139  -3.169
  481   1HG1  ILE  57          2HG1      ILE  57   4.006   4.726  -1.369
  482   2HG1  ILE  57          1HG1      ILE  57   4.814   6.235  -0.951
  483   1HG2  ILE  57          3HG2      ILE  57   3.883   4.325  -4.128
  484   2HG2  ILE  57          2HG2      ILE  57   2.464   4.797  -3.194
  485   3HG2  ILE  57          1HG2      ILE  57   2.880   5.670  -4.670
  486   1HD1  ILE  57          2HD1      ILE  57   2.479   7.309  -1.460
  487   2HD1  ILE  57          1HD1      ILE  57   1.875   5.672  -1.207
  488   3HD1  ILE  57          3HD1      ILE  57   2.740   6.503   0.088
  489    H    ALA  58           H        ALA  58   7.225   5.117  -5.155
  490    HA   ALA  58           HA       ALA  58   6.669   7.230  -7.142
  491   1HB   ALA  58          2HB       ALA  58   8.901   5.605  -6.516
  492   2HB   ALA  58          1HB       ALA  58   8.373   5.112  -8.125
  493   3HB   ALA  58          3HB       ALA  58   8.781   6.799  -7.810
  494    H    GLN  59           H        GLN  59   5.827   3.923  -6.499
  495    HA   GLN  59           HA       GLN  59   4.519   3.735  -9.185
  496   1HB   GLN  59          2HB       GLN  59   6.258   1.952  -8.166
  497   2HB   GLN  59          1HB       GLN  59   4.780   1.336  -7.427
  498   1HG   GLN  59          2HG       GLN  59   4.082   0.467  -9.385
  499   2HG   GLN  59          1HG       GLN  59   4.332   2.004 -10.214
  500   1HE2  GLN  59          2HE2      GLN  59   7.540   1.114 -11.476
  501   2HE2  GLN  59          1HE2      GLN  59   6.466   2.397 -11.186
  502    H    VAL  60           H        VAL  60   2.306   3.877  -9.154
  503    HA   VAL  60           HA       VAL  60   0.944   4.102  -6.591
  504    HB   VAL  60           HB       VAL  60  -0.252   3.972  -9.364
  505   1HG1  VAL  60          2HG1      VAL  60  -1.566   3.666  -7.039
  506   2HG1  VAL  60          1HG1      VAL  60  -1.470   5.429  -7.059
  507   3HG1  VAL  60          3HG1      VAL  60  -2.259   4.578  -8.386
  508   1HG2  VAL  60          2HG2      VAL  60   0.970   6.183  -7.744
  509   2HG2  VAL  60          1HG2      VAL  60   1.112   5.862  -9.472
  510   3HG2  VAL  60          3HG2      VAL  60  -0.377   6.547  -8.822
  511    HA   PRO  61           HA       PRO  61  -0.079  -0.230  -6.451
  512   1HB   PRO  61          2HB       PRO  61  -1.367  -0.085  -4.035
  513   2HB   PRO  61          1HB       PRO  61   0.393  -0.104  -4.200
  514   1HG   PRO  61          2HG       PRO  61  -1.399   2.153  -3.482
  515   2HG   PRO  61          1HG       PRO  61   0.327   1.942  -3.144
  516   1HD   PRO  61          2HD       PRO  61  -0.828   3.563  -5.194
  517   2HD   PRO  61          1HD       PRO  61   0.897   3.203  -4.959
  518    H    ARG  62           H        ARG  62  -2.073  -1.531  -6.428
  519    HA   ARG  62           HA       ARG  62  -4.643  -0.074  -6.516
  520   1HB   ARG  62          2HB       ARG  62  -3.240  -1.086  -8.866
  521   2HB   ARG  62          1HB       ARG  62  -4.842  -1.805  -8.691
  522   1HG   ARG  62          2HG       ARG  62  -5.332   0.147  -9.871
  523   2HG   ARG  62          1HG       ARG  62  -5.594   0.655  -8.204
  524   1HD   ARG  62          2HD       ARG  62  -4.136   2.335  -8.660
  525   2HD   ARG  62          1HD       ARG  62  -2.884   1.097  -8.553
  526    HE   ARG  62           HE       ARG  62  -3.634   0.845 -11.151
  527   1HH1  ARG  62          1HH2      ARG  62  -1.837   3.002  -9.363
  528   2HH1  ARG  62          2HH2      ARG  62  -1.771   4.243 -10.571
  529   1HH2  ARG  62          2HH1      ARG  62  -4.055   2.685 -12.660
  530   2HH2  ARG  62          1HH1      ARG  62  -3.023   4.059 -12.442
  531    H    VAL  63           H        VAL  63  -6.416  -1.447  -5.981
  532    HA   VAL  63           HA       VAL  63  -5.630  -4.236  -5.240
  533    HB   VAL  63           HB       VAL  63  -6.854  -2.121  -3.671
  534   1HG1  VAL  63          2HG1      VAL  63  -8.384  -4.734  -3.866
  535   2HG1  VAL  63          1HG1      VAL  63  -8.563  -3.580  -2.542
  536   3HG1  VAL  63          3HG1      VAL  63  -9.010  -3.117  -4.187
  537   1HG2  VAL  63          3HG2      VAL  63  -5.278  -4.535  -3.390
  538   2HG2  VAL  63          2HG2      VAL  63  -5.367  -3.136  -2.320
  539   3HG2  VAL  63          1HG2      VAL  63  -6.524  -4.457  -2.146
  540    H    GLY  64           H        GLY  64  -6.918  -5.879  -5.984
  541   1HA   GLY  64          2HA       GLY  64  -9.140  -6.702  -6.681
  542   2HA   GLY  64          1HA       GLY  64  -9.438  -5.117  -7.398
   
  No H/Q in entry =         542
  Start of MODEL           8
 Raw file had  552 H/Q atoms
  Start of MODEL    8
    1   1H    MET   1          2H        MET   1 -13.826   1.944  -2.371
    2   2H    MET   1          1H        MET   1 -14.527   3.249  -3.200
    3   3H    MET   1          3H        MET   1 -15.441   1.857  -2.883
    4    HA   MET   1           HA       MET   1 -14.176   0.555  -4.391
    5   1HB   MET   1          2HB       MET   1 -15.945   1.969  -5.374
    6   2HB   MET   1          1HB       MET   1 -14.783   3.280  -5.571
    7   1HG   MET   1          2HG       MET   1 -13.948   0.685  -6.714
    8   2HG   MET   1          1HG       MET   1 -15.328   1.443  -7.506
    9   1HE   MET   1          1HE       MET   1 -15.450   3.874  -8.063
   10   2HE   MET   1          3HE       MET   1 -14.516   4.648  -6.775
   11   3HE   MET   1          2HE       MET   1 -14.099   4.930  -8.462
   12    H    LYS   2           H        LYS   2 -12.460   3.035  -3.005
   13    HA   LYS   2           HA       LYS   2 -10.457   3.786  -4.805
   14   1HB   LYS   2          2HB       LYS   2 -10.812   3.808  -1.978
   15   2HB   LYS   2          1HB       LYS   2  -9.201   3.170  -2.306
   16   1HG   LYS   2          2HG       LYS   2 -10.270   5.697  -3.586
   17   2HG   LYS   2          1HG       LYS   2  -9.325   5.693  -2.097
   18   1HD   LYS   2          2HD       LYS   2  -7.455   4.605  -3.256
   19   2HD   LYS   2          1HD       LYS   2  -8.401   4.533  -4.743
   20   1HE   LYS   2          2HE       LYS   2  -8.468   7.224  -3.781
   21   2HE   LYS   2          1HE       LYS   2  -6.788   6.688  -3.786
   22   1HZ   LYS   2          2HZ       LYS   2  -7.721   5.718  -6.120
   23   2HZ   LYS   2          1HZ       LYS   2  -8.566   7.188  -5.996
   24   3HZ   LYS   2          3HZ       LYS   2  -6.871   7.179  -5.947
   25    H    THR   3           H        THR   3 -10.032   1.976  -6.233
   26    HA   THR   3           HA       THR   3  -8.689  -0.376  -5.008
   27    HB   THR   3           HB       THR   3  -8.741  -1.289  -7.331
   28    HG1  THR   3           HG1      THR   3  -9.829  -0.084  -8.901
   29   1HG2  THR   3          2HG2      THR   3 -10.760  -1.222  -5.588
   30   2HG2  THR   3          1HG2      THR   3 -11.510  -0.273  -6.871
   31   3HG2  THR   3          3HG2      THR   3 -10.957  -1.915  -7.197
   32    H    GLU   4           H        GLU   4  -8.074   2.495  -6.905
   33    HA   GLU   4           HA       GLU   4  -5.221   1.714  -7.259
   34   1HB   GLU   4          2HB       GLU   4  -6.303   4.323  -8.252
   35   2HB   GLU   4          1HB       GLU   4  -5.100   3.260  -8.983
   36   1HG   GLU   4          2HG       GLU   4  -6.829   1.665  -9.629
   37   2HG   GLU   4          1HG       GLU   4  -8.060   2.625  -8.807
   38    H    TRP   5           H        TRP   5  -3.721   3.715  -6.971
   39    HA   TRP   5           HA       TRP   5  -4.600   5.481  -4.776
   40   1HB   TRP   5          2HB       TRP   5  -2.248   3.583  -4.590
   41   2HB   TRP   5          1HB       TRP   5  -2.461   4.969  -3.516
   42    HD1  TRP   5           HD1      TRP   5  -4.742   4.979  -2.008
   43    HE1  TRP   5           HE1      TRP   5  -6.027   3.000  -0.975
   44    HE3  TRP   5           HE3      TRP   5  -2.970   1.146  -4.899
   45    HZ2  TRP   5           HZ2      TRP   5  -6.278   0.181  -1.320
   46    HZ3  TRP   5           HZ3      TRP   5  -3.753  -1.165  -4.515
   47    HH2  TRP   5           HH2      TRP   5  -5.396  -1.651  -2.733
   48    HA   PRO   6           HA       PRO   6  -1.555   7.111  -7.996
   49   1HB   PRO   6          2HB       PRO   6  -3.336   8.613  -9.473
   50   2HB   PRO   6          1HB       PRO   6  -2.862   6.960  -9.904
   51   1HG   PRO   6          2HG       PRO   6  -5.394   7.922  -8.621
   52   2HG   PRO   6          1HG       PRO   6  -5.140   6.544  -9.707
   53   1HD   PRO   6          2HD       PRO   6  -5.434   6.326  -6.942
   54   2HD   PRO   6          1HD       PRO   6  -4.650   5.113  -7.976
   55    H    GLU   7           H        GLU   7  -4.277   8.258  -6.225
   56    HA   GLU   7           HA       GLU   7  -3.439  11.037  -6.011
   57   1HB   GLU   7          2HB       GLU   7  -5.513   9.304  -4.826
   58   2HB   GLU   7          1HB       GLU   7  -4.901  10.548  -3.735
   59   1HG   GLU   7          2HG       GLU   7  -5.219  11.866  -6.184
   60   2HG   GLU   7          1HG       GLU   7  -6.640  10.831  -6.057
   61    H    LEU   8           H        LEU   8  -2.491   8.047  -4.590
   62    HA   LEU   8           HA       LEU   8  -1.277   9.320  -2.247
   63   1HB   LEU   8          2HB       LEU   8  -1.661   7.273  -1.400
   64   2HB   LEU   8          1HB       LEU   8  -2.106   6.673  -2.988
   65    HG   LEU   8           HG       LEU   8   0.777   6.921  -2.097
   66   1HD1  LEU   8          1HD1      LEU   8  -1.229   4.710  -1.691
   67   2HD1  LEU   8          3HD1      LEU   8   0.495   4.361  -1.816
   68   3HD1  LEU   8          2HD1      LEU   8  -0.102   5.404  -0.525
   69   1HD2  LEU   8          1HD2      LEU   8   0.055   6.678  -4.578
   70   2HD2  LEU   8          3HD2      LEU   8   1.249   5.537  -3.968
   71   3HD2  LEU   8          2HD2      LEU   8  -0.435   5.045  -4.135
   72    H    VAL   9           H        VAL   9  -0.478   9.063  -5.449
   73    HA   VAL   9           HA       VAL   9   2.212   8.257  -5.501
   74    HB   VAL   9           HB       VAL   9   0.781  10.423  -7.055
   75   1HG1  VAL   9          1HG1      VAL   9   3.302  10.826  -6.849
   76   2HG1  VAL   9          3HG1      VAL   9   3.518   9.291  -7.699
   77   3HG1  VAL   9          2HG1      VAL   9   2.689  10.629  -8.493
   78   1HG2  VAL   9          2HG2      VAL   9   0.233   7.937  -7.316
   79   2HG2  VAL   9          1HG2      VAL   9   0.670   8.798  -8.790
   80   3HG2  VAL   9          3HG2      VAL   9   1.853   7.759  -7.993
   81    H    GLY  10           H        GLY  10   4.171   9.384  -5.275
   82   1HA   GLY  10          2HA       GLY  10   5.631  10.987  -4.412
   83   2HA   GLY  10          1HA       GLY  10   4.306  12.140  -4.537
   84    H    LYS  11           H        LYS  11   3.119   9.635  -2.690
   85    HA   LYS  11           HA       LYS  11   3.658  11.193  -0.230
   86   1HB   LYS  11          2HB       LYS  11   1.409   9.796  -1.200
   87   2HB   LYS  11          1HB       LYS  11   1.984   8.873   0.186
   88   1HG   LYS  11          2HG       LYS  11   1.344  11.837   0.137
   89   2HG   LYS  11          1HG       LYS  11   0.409  10.578   0.946
   90   1HD   LYS  11          2HD       LYS  11   2.144  10.161   2.526
   91   2HD   LYS  11          1HD       LYS  11   3.319  11.085   1.590
   92   1HE   LYS  11          2HE       LYS  11   0.829  12.432   2.597
   93   2HE   LYS  11          1HE       LYS  11   2.197  12.195   3.684
   94   1HZ   LYS  11          3HZ       LYS  11   3.555  13.205   1.779
   95   2HZ   LYS  11          2HZ       LYS  11   2.063  13.768   1.192
   96   3HZ   LYS  11          1HZ       LYS  11   2.611  14.246   2.728
   97    H    SER  12           H        SER  12   3.257   8.900   1.548
   98    HA   SER  12           HA       SER  12   5.726   7.324   0.983
   99   1HB   SER  12          2HB       SER  12   5.262   9.242   3.131
  100   2HB   SER  12          1HB       SER  12   5.717   7.650   3.742
  101    HG   SER  12           HG       SER  12   7.657   7.969   3.001
  102    H    VAL  13           H        VAL  13   5.879   5.541   2.813
  103    HA   VAL  13           HA       VAL  13   3.773   3.723   2.455
  104    HB   VAL  13           HB       VAL  13   5.790   3.958   4.693
  105   1HG1  VAL  13          1HG1      VAL  13   3.718   2.685   5.355
  106   2HG1  VAL  13          3HG1      VAL  13   4.033   1.584   4.014
  107   3HG1  VAL  13          2HG1      VAL  13   5.186   1.706   5.343
  108   1HG2  VAL  13          3HG2      VAL  13   6.143   3.346   2.050
  109   2HG2  VAL  13          2HG2      VAL  13   7.174   2.741   3.347
  110   3HG2  VAL  13          1HG2      VAL  13   5.854   1.746   2.733
  111    H    GLU  14           H        GLU  14   4.269   6.018   5.143
  112    HA   GLU  14           HA       GLU  14   2.286   5.303   6.918
  113   1HB   GLU  14          2HB       GLU  14   2.789   8.120   5.905
  114   2HB   GLU  14          1HB       GLU  14   1.972   7.705   7.412
  115   1HG   GLU  14          2HG       GLU  14   3.919   7.224   8.478
  116   2HG   GLU  14          1HG       GLU  14   4.602   6.419   7.064
  117    H    GLU  15           H        GLU  15   1.560   7.754   4.427
  118    HA   GLU  15           HA       GLU  15  -1.261   7.493   4.559
  119   1HB   GLU  15          2HB       GLU  15   0.603   8.978   3.067
  120   2HB   GLU  15          1HB       GLU  15  -0.349   8.099   1.870
  121   1HG   GLU  15          2HG       GLU  15  -1.328  10.329   2.507
  122   2HG   GLU  15          1HG       GLU  15  -2.418   8.968   2.781
  123    H    ALA  16           H        ALA  16   1.113   5.698   2.610
  124    HA   ALA  16           HA       ALA  16  -0.775   4.371   0.932
  125   1HB   ALA  16          2HB       ALA  16   2.050   3.894   1.760
  126   2HB   ALA  16          1HB       ALA  16   1.176   2.529   1.066
  127   3HB   ALA  16          3HB       ALA  16   1.358   4.021   0.143
  128    H    LYS  17           H        LYS  17   1.059   2.504   3.361
  129    HA   LYS  17           HA       LYS  17  -0.798   0.454   3.670
  130   1HB   LYS  17          2HB       LYS  17   1.168   1.695   5.576
  131   2HB   LYS  17          1HB       LYS  17   0.072   0.440   6.155
  132   1HG   LYS  17          2HG       LYS  17   1.498  -0.077   3.588
  133   2HG   LYS  17          1HG       LYS  17   2.453  -0.148   5.070
  134   1HD   LYS  17          2HD       LYS  17  -0.143  -1.654   4.637
  135   2HD   LYS  17          1HD       LYS  17   1.462  -2.360   4.445
  136   1HE   LYS  17          2HE       LYS  17   0.104  -1.412   6.955
  137   2HE   LYS  17          1HE       LYS  17   0.939  -2.936   6.652
  138   1HZ   LYS  17          3HZ       LYS  17   3.019  -1.597   6.444
  139   2HZ   LYS  17          2HZ       LYS  17   2.148  -0.253   7.011
  140   3HZ   LYS  17          1HZ       LYS  17   2.346  -1.619   7.999
  141    H    LYS  18           H        LYS  18  -0.908   3.687   4.980
  142    HA   LYS  18           HA       LYS  18  -2.922   3.346   6.963
  143   1HB   LYS  18          2HB       LYS  18  -1.898   5.631   5.324
  144   2HB   LYS  18          1HB       LYS  18  -3.396   5.852   6.229
  145   1HG   LYS  18          2HG       LYS  18  -0.943   4.699   7.555
  146   2HG   LYS  18          1HG       LYS  18  -1.180   6.443   7.436
  147   1HD   LYS  18          2HD       LYS  18  -2.588   6.387   9.187
  148   2HD   LYS  18          1HD       LYS  18  -3.634   5.259   8.322
  149   1HE   LYS  18          2HE       LYS  18  -1.810   3.490   9.038
  150   2HE   LYS  18          1HE       LYS  18  -1.435   4.681  10.282
  151   1HZ   LYS  18          2HZ       LYS  18  -4.204   4.440  10.160
  152   2HZ   LYS  18          1HZ       LYS  18  -3.574   2.861  10.187
  153   3HZ   LYS  18          3HZ       LYS  18  -3.171   3.954  11.419
  154    H    VAL  19           H        VAL  19  -3.653   5.295   4.137
  155    HA   VAL  19           HA       VAL  19  -6.423   4.702   4.140
  156    HB   VAL  19           HB       VAL  19  -4.977   5.347   1.578
  157   1HG1  VAL  19          1HG1      VAL  19  -7.624   5.204   2.271
  158   2HG1  VAL  19          3HG1      VAL  19  -7.289   6.915   2.528
  159   3HG1  VAL  19          2HG1      VAL  19  -6.995   6.188   0.949
  160   1HG2  VAL  19          1HG2      VAL  19  -5.253   7.094   4.036
  161   2HG2  VAL  19          3HG2      VAL  19  -3.798   6.784   3.084
  162   3HG2  VAL  19          2HG2      VAL  19  -5.093   7.783   2.421
  163    H    ILE  20           H        ILE  20  -3.826   3.252   2.171
  164    HA   ILE  20           HA       ILE  20  -5.338   1.511   0.598
  165    HB   ILE  20           HB       ILE  20  -2.667   1.025   1.949
  166   1HG1  ILE  20          2HG1      ILE  20  -3.272   1.655  -0.946
  167   2HG1  ILE  20          1HG1      ILE  20  -2.949   2.915   0.244
  168   1HG2  ILE  20          3HG2      ILE  20  -4.393  -0.795   0.524
  169   2HG2  ILE  20          2HG2      ILE  20  -2.927  -0.511  -0.414
  170   3HG2  ILE  20          1HG2      ILE  20  -2.813  -1.107   1.242
  171   1HD1  ILE  20          1HD1      ILE  20  -1.003   0.719   0.302
  172   2HD1  ILE  20          3HD1      ILE  20  -1.026   1.593  -1.229
  173   3HD1  ILE  20          2HD1      ILE  20  -0.730   2.460   0.276
  174    H    LEU  21           H        LEU  21  -3.910   0.683   3.782
  175    HA   LEU  21           HA       LEU  21  -4.867  -1.807   4.287
  176   1HB   LEU  21          2HB       LEU  21  -3.674  -0.557   5.990
  177   2HB   LEU  21          1HB       LEU  21  -5.035   0.556   6.174
  178    HG   LEU  21           HG       LEU  21  -5.808  -2.259   6.466
  179   1HD1  LEU  21          1HD1      LEU  21  -3.473  -1.205   7.926
  180   2HD1  LEU  21          3HD1      LEU  21  -4.733  -1.873   8.963
  181   3HD1  LEU  21          2HD1      LEU  21  -4.004  -2.873   7.706
  182   1HD2  LEU  21          1HD2      LEU  21  -6.835   0.174   7.135
  183   2HD2  LEU  21          3HD2      LEU  21  -7.313  -1.332   7.918
  184   3HD2  LEU  21          2HD2      LEU  21  -6.100  -0.295   8.668
  185    H    GLN  22           H        GLN  22  -6.905   1.083   4.169
  186    HA   GLN  22           HA       GLN  22  -9.250  -0.701   3.971
  187   1HB   GLN  22          2HB       GLN  22  -8.562   0.562   6.402
  188   2HB   GLN  22          1HB       GLN  22  -9.929   1.463   5.743
  189   1HG   GLN  22          2HG       GLN  22 -11.263  -0.541   5.556
  190   2HG   GLN  22          1HG       GLN  22  -9.877  -1.566   5.948
  191   1HE2  GLN  22          2HE2      GLN  22 -12.035   0.116   8.937
  192   2HE2  GLN  22          1HE2      GLN  22 -12.457   0.333   7.307
  193    H    ASP  23           H        ASP  23  -8.257   0.770   1.871
  194    HA   ASP  23           HA       ASP  23  -9.483   3.403   1.754
  195   1HB   ASP  23          2HB       ASP  23  -7.559   2.142   0.255
  196   2HB   ASP  23          1HB       ASP  23  -8.959   2.065  -0.819
  197    H    LYS  24           H        LYS  24 -10.266   0.258   0.208
  198    HA   LYS  24           HA       LYS  24 -13.007   1.337  -0.175
  199   1HB   LYS  24          2HB       LYS  24 -13.019  -0.983  -1.615
  200   2HB   LYS  24          1HB       LYS  24 -12.622   0.589  -2.264
  201   1HG   LYS  24          2HG       LYS  24 -10.273   0.249  -1.984
  202   2HG   LYS  24          1HG       LYS  24 -10.522  -1.220  -1.061
  203   1HD   LYS  24          2HD       LYS  24 -11.663  -1.086  -3.821
  204   2HD   LYS  24          1HD       LYS  24  -9.920  -1.314  -3.645
  205   1HE   LYS  24          2HE       LYS  24 -10.646  -3.153  -1.895
  206   2HE   LYS  24          1HE       LYS  24 -12.162  -3.119  -2.795
  207   1HZ   LYS  24          2HZ       LYS  24  -9.544  -3.374  -4.145
  208   2HZ   LYS  24          1HZ       LYS  24 -10.398  -4.732  -3.581
  209   3HZ   LYS  24          3HZ       LYS  24 -11.087  -3.727  -4.763
  210    HA   PRO  25           HA       PRO  25 -14.259  -2.258   2.386
  211   1HB   PRO  25          2HB       PRO  25 -13.309  -4.801   2.031
  212   2HB   PRO  25          1HB       PRO  25 -14.583  -4.108   1.012
  213   1HG   PRO  25          2HG       PRO  25 -11.757  -4.672   0.331
  214   2HG   PRO  25          1HG       PRO  25 -13.146  -4.458  -0.744
  215   1HD   PRO  25          2HD       PRO  25 -11.105  -2.534  -0.132
  216   2HD   PRO  25          1HD       PRO  25 -12.543  -2.322  -1.141
  217    H    GLU  26           H        GLU  26 -11.214  -3.988   1.933
  218    HA   GLU  26           HA       GLU  26  -9.837  -2.750   4.172
  219   1HB   GLU  26          2HB       GLU  26 -10.483  -5.691   4.455
  220   2HB   GLU  26          1HB       GLU  26  -9.790  -4.604   5.657
  221   1HG   GLU  26          2HG       GLU  26 -11.923  -3.361   5.763
  222   2HG   GLU  26          1HG       GLU  26 -12.615  -4.453   4.560
  223    H    ALA  27           H        ALA  27  -8.942  -2.764   1.678
  224    HA   ALA  27           HA       ALA  27  -7.405  -5.207   1.156
  225   1HB   ALA  27          1HB       ALA  27  -8.152  -2.783  -0.353
  226   2HB   ALA  27          3HB       ALA  27  -6.523  -3.369  -0.685
  227   3HB   ALA  27          2HB       ALA  27  -7.909  -4.433  -0.931
  228    H    GLN  28           H        GLN  28  -5.479  -5.489   2.140
  229    HA   GLN  28           HA       GLN  28  -4.090  -3.184   3.331
  230   1HB   GLN  28          2HB       GLN  28  -4.371  -5.840   4.061
  231   2HB   GLN  28          1HB       GLN  28  -2.719  -5.771   3.440
  232   1HG   GLN  28          2HG       GLN  28  -2.207  -3.896   4.930
  233   2HG   GLN  28          1HG       GLN  28  -3.873  -3.873   5.508
  234   1HE2  GLN  28          2HE2      GLN  28  -1.724  -5.903   7.864
  235   2HE2  GLN  28          1HE2      GLN  28  -1.593  -4.326   7.251
  236    H    ILE  29           H        ILE  29  -1.487  -3.577   3.120
  237    HA   ILE  29           HA       ILE  29  -0.829  -4.142   0.295
  238    HB   ILE  29           HB       ILE  29  -1.350  -1.766   0.270
  239   1HG1  ILE  29          2HG1      ILE  29   1.662  -2.038   0.389
  240   2HG1  ILE  29          1HG1      ILE  29   0.705  -2.726  -0.923
  241   1HG2  ILE  29          3HG2      ILE  29  -0.907  -1.553   2.799
  242   2HG2  ILE  29          2HG2      ILE  29   0.794  -1.373   2.369
  243   3HG2  ILE  29          1HG2      ILE  29  -0.390  -0.202   1.792
  244   1HD1  ILE  29          2HD1      ILE  29   0.730   0.199  -0.114
  245   2HD1  ILE  29          1HD1      ILE  29   1.557  -0.480  -1.516
  246   3HD1  ILE  29          3HD1      ILE  29  -0.205  -0.495  -1.440
  247    H    ILE  30           H        ILE  30   1.304  -4.721  -0.038
  248    HA   ILE  30           HA       ILE  30   2.853  -5.388   2.395
  249    HB   ILE  30           HB       ILE  30   3.025  -6.142  -0.525
  250   1HG1  ILE  30          2HG1      ILE  30   1.483  -7.311   1.139
  251   2HG1  ILE  30          1HG1      ILE  30   2.613  -8.361   0.284
  252   1HG2  ILE  30          2HG2      ILE  30   5.218  -5.937   1.349
  253   2HG2  ILE  30          1HG2      ILE  30   4.957  -7.619   0.884
  254   3HG2  ILE  30          3HG2      ILE  30   5.247  -6.397  -0.357
  255   1HD1  ILE  30          1HD1      ILE  30   3.188  -7.173   3.011
  256   2HD1  ILE  30          3HD1      ILE  30   2.470  -8.768   2.782
  257   3HD1  ILE  30          2HD1      ILE  30   4.094  -8.440   2.180
  258    H    VAL  31           H        VAL  31   4.954  -4.491   2.754
  259    HA   VAL  31           HA       VAL  31   5.446  -2.012   1.196
  260    HB   VAL  31           HB       VAL  31   5.345  -1.786   3.646
  261   1HG1  VAL  31          1HG1      VAL  31   6.801  -4.229   3.547
  262   2HG1  VAL  31          3HG1      VAL  31   7.839  -3.038   4.332
  263   3HG1  VAL  31          2HG1      VAL  31   6.232  -3.369   4.978
  264   1HG2  VAL  31          1HG2      VAL  31   7.097  -0.583   2.052
  265   2HG2  VAL  31          3HG2      VAL  31   7.174  -0.362   3.800
  266   3HG2  VAL  31          2HG2      VAL  31   8.260  -1.502   3.006
  267    H    LEU  32           H        LEU  32   7.061  -1.976  -0.313
  268    HA   LEU  32           HA       LEU  32   9.389  -3.774   0.099
  269   1HB   LEU  32          2HB       LEU  32   9.217  -4.823  -2.012
  270   2HB   LEU  32          1HB       LEU  32   7.580  -4.872  -1.376
  271    HG   LEU  32           HG       LEU  32   7.865  -2.414  -2.740
  272   1HD1  LEU  32          2HD1      LEU  32   9.820  -4.016  -3.681
  273   2HD1  LEU  32          1HD1      LEU  32   8.483  -4.602  -4.667
  274   3HD1  LEU  32          3HD1      LEU  32   8.937  -2.904  -4.716
  275   1HD2  LEU  32          2HD2      LEU  32   6.101  -4.578  -2.488
  276   2HD2  LEU  32          1HD2      LEU  32   5.819  -3.118  -3.431
  277   3HD2  LEU  32          3HD2      LEU  32   6.507  -4.547  -4.198
  278    HA   PRO  33           HA       PRO  33  11.627  -0.354  -1.470
  279   1HB   PRO  33          2HB       PRO  33  13.878  -1.663  -2.305
  280   2HB   PRO  33          1HB       PRO  33  13.475  -1.428  -0.596
  281   1HG   PRO  33          2HG       PRO  33  13.269  -3.909  -2.258
  282   2HG   PRO  33          1HG       PRO  33  13.558  -3.745  -0.512
  283   1HD   PRO  33          2HD       PRO  33  11.093  -4.403  -1.720
  284   2HD   PRO  33          1HD       PRO  33  11.316  -3.875  -0.038
  285    H    VAL  34           H        VAL  34   9.717  -1.342  -3.465
  286    HA   VAL  34           HA       VAL  34   9.427  -1.580  -5.798
  287    HB   VAL  34           HB       VAL  34   9.681   0.790  -5.775
  288   1HG1  VAL  34          3HG1      VAL  34  12.667   0.286  -5.607
  289   2HG1  VAL  34          2HG1      VAL  34  11.909   1.869  -5.783
  290   3HG1  VAL  34          1HG1      VAL  34  11.650   0.927  -4.315
  291   1HG2  VAL  34          2HG2      VAL  34  10.593  -0.847  -7.884
  292   2HG2  VAL  34          1HG2      VAL  34   9.992   0.812  -8.005
  293   3HG2  VAL  34          3HG2      VAL  34  11.721   0.512  -7.805
  294    H    GLY  35           H        GLY  35  10.158  -3.554  -6.469
  295   1HA   GLY  35          2HA       GLY  35  12.944  -3.634  -7.497
  296   2HA   GLY  35          1HA       GLY  35  12.415  -4.916  -6.410
  297    H    THR  36           H        THR  36  10.732  -6.374  -7.169
  298    HA   THR  36           HA       THR  36  10.979  -7.021  -9.960
  299    HB   THR  36           HB       THR  36   8.696  -8.188  -8.495
  300    HG1  THR  36           HG1      THR  36  11.366  -8.655  -7.679
  301   1HG2  THR  36          2HG2      THR  36  10.881  -8.990 -10.337
  302   2HG2  THR  36          1HG2      THR  36  10.316 -10.221  -9.207
  303   3HG2  THR  36          3HG2      THR  36   9.182  -9.465 -10.329
  304    H    ILE  37           H        ILE  37   7.860  -6.627  -8.381
  305    HA   ILE  37           HA       ILE  37   6.048  -5.217  -8.948
  306    HB   ILE  37           HB       ILE  37   8.111  -3.833 -10.117
  307   1HG1  ILE  37          2HG1      ILE  37   5.143  -3.299 -10.437
  308   2HG1  ILE  37          1HG1      ILE  37   6.097  -2.914  -9.005
  309   1HG2  ILE  37          3HG2      ILE  37   7.672  -5.166 -12.259
  310   2HG2  ILE  37          2HG2      ILE  37   6.128  -4.321 -12.354
  311   3HG2  ILE  37          1HG2      ILE  37   7.637  -3.412 -12.424
  312   1HD1  ILE  37          2HD1      ILE  37   7.286  -1.893 -11.483
  313   2HD1  ILE  37          1HD1      ILE  37   5.689  -1.222 -11.157
  314   3HD1  ILE  37          3HD1      ILE  37   6.974  -1.058  -9.962
  315    H    VAL  38           H        VAL  38   4.301  -6.280  -9.707
  316    HA   VAL  38           HA       VAL  38   2.991  -7.718 -11.019
  317    HB   VAL  38           HB       VAL  38   4.883  -6.635 -13.125
  318   1HG1  VAL  38          2HG1      VAL  38   2.498  -8.469 -13.308
  319   2HG1  VAL  38          1HG1      VAL  38   2.926  -7.407 -14.650
  320   3HG1  VAL  38          3HG1      VAL  38   4.070  -8.626 -14.090
  321   1HG2  VAL  38          3HG2      VAL  38   2.025  -5.968 -12.346
  322   2HG2  VAL  38          2HG2      VAL  38   3.440  -4.951 -12.077
  323   3HG2  VAL  38          1HG2      VAL  38   2.884  -5.269 -13.720
  324    H    THR  39           H        THR  39   3.338  -9.816 -10.402
  325    HA   THR  39           HA       THR  39   4.179 -12.005 -10.519
  326    HB   THR  39           HB       THR  39   6.128 -11.304 -12.667
  327    HG1  THR  39           HG1      THR  39   3.369 -11.504 -13.218
  328   1HG2  THR  39          2HG2      THR  39   5.331 -13.635 -11.655
  329   2HG2  THR  39          1HG2      THR  39   4.034 -13.429 -12.832
  330   3HG2  THR  39          3HG2      THR  39   5.713 -13.466 -13.368
  331   1H    GLU  41          2H        GLU  41  -9.805 -13.634  -7.011
  332   2H    GLU  41          1H        GLU  41  -9.469 -14.425  -8.477
  333   3H    GLU  41          3H        GLU  41  -8.602 -13.031  -8.049
  334    HA   GLU  41           HA       GLU  41 -10.048 -11.925  -9.313
  335   1HB   GLU  41          2HB       GLU  41 -11.960 -14.255  -8.943
  336   2HB   GLU  41          1HB       GLU  41 -12.147 -12.934 -10.099
  337   1HG   GLU  41          2HG       GLU  41  -9.601 -13.816 -10.653
  338   2HG   GLU  41          1HG       GLU  41 -10.429 -15.319 -10.244
  339    H    TYR  42           H        TYR  42  -9.890 -11.813  -6.372
  340    HA   TYR  42           HA       TYR  42 -12.586 -10.624  -5.869
  341   1HB   TYR  42          2HB       TYR  42 -12.545 -11.420  -3.597
  342   2HB   TYR  42          1HB       TYR  42 -12.202 -12.803  -4.636
  343    HD1  TYR  42           HD1      TYR  42  -9.722 -13.385  -5.072
  344    HD2  TYR  42           HD2      TYR  42 -11.027 -10.793  -1.905
  345    HE1  TYR  42           HE1      TYR  42  -7.574 -13.739  -3.898
  346    HE2  TYR  42           HE2      TYR  42  -8.878 -11.147  -0.731
  347    HH   TYR  42           HH       TYR  42  -6.486 -11.810  -1.427
  348    H    ARG  43           H        ARG  43 -11.882  -9.621  -3.288
  349    HA   ARG  43           HA       ARG  43 -10.190  -7.339  -4.123
  350   1HB   ARG  43          2HB       ARG  43 -11.038  -6.230  -2.147
  351   2HB   ARG  43          1HB       ARG  43 -12.401  -7.005  -2.954
  352   1HG   ARG  43          2HG       ARG  43 -11.604  -9.028  -1.326
  353   2HG   ARG  43          1HG       ARG  43 -11.138  -7.640  -0.339
  354   1HD   ARG  43          2HD       ARG  43 -13.463  -6.718  -0.700
  355   2HD   ARG  43          1HD       ARG  43 -13.888  -8.247  -1.469
  356    HE   ARG  43           HE       ARG  43 -13.823  -7.828   1.336
  357   1HH1  ARG  43          2HH1      ARG  43 -14.229 -10.246  -0.843
  358   2HH1  ARG  43          1HH1      ARG  43 -13.521 -11.509   0.106
  359   1HH2  ARG  43          1HH2      ARG  43 -12.218  -9.352   2.488
  360   2HH2  ARG  43          2HH2      ARG  43 -12.381 -11.004   1.991
  361    H    ILE  44           H        ILE  44  -8.258  -8.979  -4.065
  362    HA   ILE  44           HA       ILE  44  -7.277 -10.144  -1.721
  363    HB   ILE  44           HB       ILE  44  -6.028 -10.376  -3.803
  364   1HG1  ILE  44          2HG1      ILE  44  -3.896  -8.950  -2.479
  365   2HG1  ILE  44          1HG1      ILE  44  -4.915  -9.726  -1.264
  366   1HG2  ILE  44          1HG2      ILE  44  -6.441  -7.591  -3.963
  367   2HG2  ILE  44          3HG2      ILE  44  -4.697  -7.802  -3.804
  368   3HG2  ILE  44          2HG2      ILE  44  -5.566  -8.600  -5.116
  369   1HD1  ILE  44          1HD1      ILE  44  -4.762 -11.842  -2.684
  370   2HD1  ILE  44          3HD1      ILE  44  -3.493 -11.029  -3.598
  371   3HD1  ILE  44          2HD1      ILE  44  -3.273 -11.352  -1.878
  372    H    ASP  45           H        ASP  45  -6.151  -9.355   0.090
  373    HA   ASP  45           HA       ASP  45  -6.412  -6.423   0.436
  374   1HB   ASP  45          2HB       ASP  45  -6.706  -6.786   2.727
  375   2HB   ASP  45          1HB       ASP  45  -7.470  -8.211   2.020
  376    H    ARG  46           H        ARG  46  -4.310  -7.238  -1.130
  377    HA   ARG  46           HA       ARG  46  -2.026  -6.321   0.505
  378   1HB   ARG  46          2HB       ARG  46  -2.398  -9.072  -0.371
  379   2HB   ARG  46          1HB       ARG  46  -0.932  -8.377  -1.061
  380   1HG   ARG  46          2HG       ARG  46  -0.345  -7.574   1.270
  381   2HG   ARG  46          1HG       ARG  46  -1.687  -8.557   1.863
  382   1HD   ARG  46          2HD       ARG  46  -0.610 -10.505   0.582
  383   2HD   ARG  46          1HD       ARG  46   0.825  -9.483   0.460
  384    HE   ARG  46           HE       ARG  46  -0.082  -9.609   3.193
  385   1HH1  ARG  46          1HH2      ARG  46   0.800 -11.979   0.927
  386   2HH1  ARG  46          2HH2      ARG  46   2.040 -12.683   1.912
  387   1HH2  ARG  46          2HH1      ARG  46   1.822 -10.266   4.387
  388   2HH2  ARG  46          1HH1      ARG  46   2.618 -11.714   3.869
  389    H    VAL  47           H        VAL  47  -0.332  -5.448  -0.843
  390    HA   VAL  47           HA       VAL  47  -0.737  -5.410  -3.759
  391    HB   VAL  47           HB       VAL  47  -0.337  -2.667  -2.838
  392   1HG1  VAL  47          1HG1      VAL  47  -0.991  -3.535  -5.131
  393   2HG1  VAL  47          3HG1      VAL  47  -2.588  -3.862  -4.458
  394   3HG1  VAL  47          2HG1      VAL  47  -1.978  -2.209  -4.516
  395   1HG2  VAL  47          2HG2      VAL  47  -2.844  -4.123  -1.972
  396   2HG2  VAL  47          1HG2      VAL  47  -1.738  -3.198  -0.958
  397   3HG2  VAL  47          3HG2      VAL  47  -2.750  -2.373  -2.137
  398    H    ARG  48           H        ARG  48   1.138  -3.675  -4.582
  399    HA   ARG  48           HA       ARG  48   3.577  -4.552  -3.084
  400   1HB   ARG  48          2HB       ARG  48   3.079  -4.020  -6.009
  401   2HB   ARG  48          1HB       ARG  48   4.713  -4.061  -5.345
  402   1HG   ARG  48          2HG       ARG  48   2.660  -6.293  -5.310
  403   2HG   ARG  48          1HG       ARG  48   4.205  -6.281  -6.157
  404   1HD   ARG  48          2HD       ARG  48   5.322  -6.041  -3.881
  405   2HD   ARG  48          1HD       ARG  48   3.746  -6.374  -3.162
  406    HE   ARG  48           HE       ARG  48   4.464  -8.391  -5.113
  407   1HH1  ARG  48          2HH1      ARG  48   6.786  -7.974  -3.098
  408   2HH1  ARG  48          1HH1      ARG  48   6.409  -9.205  -1.939
  409   1HH2  ARG  48          1HH2      ARG  48   3.177  -9.682  -3.104
  410   2HH2  ARG  48          2HH2      ARG  48   4.366 -10.173  -1.943
  411    H    LEU  49           H        LEU  49   3.289  -2.627  -1.680
  412    HA   LEU  49           HA       LEU  49   3.325   0.029  -2.731
  413   1HB   LEU  49          2HB       LEU  49   2.986  -0.875  -0.249
  414   2HB   LEU  49          1HB       LEU  49   4.714  -0.535  -0.148
  415    HG   LEU  49           HG       LEU  49   2.497   1.396  -0.862
  416   1HD1  LEU  49          3HD1      LEU  49   2.982   0.977   1.551
  417   2HD1  LEU  49          2HD1      LEU  49   4.647   1.487   1.270
  418   3HD1  LEU  49          1HD1      LEU  49   3.327   2.633   1.058
  419   1HD2  LEU  49          1HD2      LEU  49   4.442   1.689  -2.391
  420   2HD2  LEU  49          3HD2      LEU  49   4.248   3.060  -1.299
  421   3HD2  LEU  49          2HD2      LEU  49   5.495   1.852  -0.986
  422    H    PHE  50           H        PHE  50   4.834   0.234  -4.337
  423    HA   PHE  50           HA       PHE  50   7.636  -0.529  -3.966
  424   1HB   PHE  50          2HB       PHE  50   5.903   0.605  -6.087
  425   2HB   PHE  50          1HB       PHE  50   7.588   1.130  -6.142
  426    HD1  PHE  50           HD1      PHE  50   6.583  -2.153  -4.771
  427    HD2  PHE  50           HD2      PHE  50   8.069  -0.041  -8.205
  428    HE1  PHE  50           HE1      PHE  50   7.136  -4.302  -5.857
  429    HE2  PHE  50           HE2      PHE  50   8.650  -2.195  -9.275
  430    HZ   PHE  50           HZ       PHE  50   8.183  -4.325  -8.101
  431    H    VAL  51           H        VAL  51   9.192   0.864  -3.067
  432    HA   VAL  51           HA       VAL  51   8.294   3.678  -2.620
  433    HB   VAL  51           HB       VAL  51  10.061   3.618  -0.754
  434   1HG1  VAL  51          3HG1      VAL  51   7.352   2.972  -0.830
  435   2HG1  VAL  51          2HG1      VAL  51   8.071   1.646   0.084
  436   3HG1  VAL  51          1HG1      VAL  51   8.293   3.310   0.624
  437   1HG2  VAL  51          1HG2      VAL  51  10.633   1.162  -1.906
  438   2HG2  VAL  51          3HG2      VAL  51  11.151   1.684  -0.304
  439   3HG2  VAL  51          2HG2      VAL  51   9.684   0.723  -0.487
  440    H    ASP  52           H        ASP  52  10.491   5.037  -2.092
  441    HA   ASP  52           HA       ASP  52  12.215   4.594  -4.491
  442   1HB   ASP  52          2HB       ASP  52  12.247   6.883  -4.910
  443   2HB   ASP  52          1HB       ASP  52  10.625   6.689  -4.255
  444    H    LYS  53           H        LYS  53  13.990   6.764  -3.593
  445    HA   LYS  53           HA       LYS  53  15.833   5.201  -2.026
  446   1HB   LYS  53          2HB       LYS  53  15.886   8.179  -2.503
  447   2HB   LYS  53          1HB       LYS  53  17.264   7.103  -2.266
  448   1HG   LYS  53          2HG       LYS  53  15.458   6.459  -4.550
  449   2HG   LYS  53          1HG       LYS  53  16.433   7.918  -4.712
  450   1HD   LYS  53          2HD       LYS  53  17.825   5.487  -3.700
  451   2HD   LYS  53          1HD       LYS  53  17.365   5.494  -5.403
  452   1HE   LYS  53          2HE       LYS  53  18.804   7.836  -4.153
  453   2HE   LYS  53          1HE       LYS  53  19.686   6.454  -4.803
  454   1HZ   LYS  53          2HZ       LYS  53  17.615   7.599  -6.501
  455   2HZ   LYS  53          1HZ       LYS  53  19.010   8.541  -6.272
  456   3HZ   LYS  53          3HZ       LYS  53  19.141   6.979  -6.915
  457    H    LEU  54           H        LEU  54  13.943   8.168  -1.371
  458    HA   LEU  54           HA       LEU  54  14.420   7.776   1.540
  459   1HB   LEU  54          2HB       LEU  54  14.782  10.038   0.376
  460   2HB   LEU  54          1HB       LEU  54  13.023  10.115   0.237
  461    HG   LEU  54           HG       LEU  54  13.336   9.400   2.866
  462   1HD1  LEU  54          2HD1      LEU  54  15.864   9.843   2.391
  463   2HD1  LEU  54          1HD1      LEU  54  15.403  11.546   2.435
  464   3HD1  LEU  54          3HD1      LEU  54  15.145  10.525   3.850
  465   1HD2  LEU  54          3HD2      LEU  54  12.901  11.966   1.399
  466   2HD2  LEU  54          2HD2      LEU  54  11.824  11.108   2.500
  467   3HD2  LEU  54          1HD2      LEU  54  13.165  12.057   3.142
  468    H    ASP  55           H        ASP  55  12.716   5.916   0.360
  469    HA   ASP  55           HA       ASP  55  10.512   5.090   0.381
  470   1HB   ASP  55          2HB       ASP  55   9.380   6.037   2.683
  471   2HB   ASP  55          1HB       ASP  55  10.484   4.662   2.612
  472    H    ASN  56           H        ASN  56  10.182   6.766  -1.441
  473    HA   ASN  56           HA       ASN  56   7.916   8.541  -0.659
  474   1HB   ASN  56          2HB       ASN  56   9.705  10.052  -1.175
  475   2HB   ASN  56          1HB       ASN  56  10.188   9.099  -2.580
  476   1HD2  ASN  56          2HD2      ASN  56   8.312  11.530  -4.395
  477   2HD2  ASN  56          1HD2      ASN  56   9.875  11.025  -3.965
  478    H    ILE  57           H        ILE  57   6.436   7.016  -1.238
  479    HA   ILE  57           HA       ILE  57   6.154   5.179  -3.153
  480    HB   ILE  57           HB       ILE  57   4.018   7.300  -2.885
  481   1HG1  ILE  57          2HG1      ILE  57   4.721   4.989  -1.048
  482   2HG1  ILE  57          1HG1      ILE  57   4.739   6.704  -0.638
  483   1HG2  ILE  57          3HG2      ILE  57   4.203   4.522  -3.908
  484   2HG2  ILE  57          2HG2      ILE  57   2.772   4.897  -2.950
  485   3HG2  ILE  57          1HG2      ILE  57   3.133   5.832  -4.401
  486   1HD1  ILE  57          2HD1      ILE  57   2.267   5.175  -1.493
  487   2HD1  ILE  57          1HD1      ILE  57   2.685   5.555   0.178
  488   3HD1  ILE  57          3HD1      ILE  57   2.328   6.856  -0.958
  489    H    ALA  58           H        ALA  58   7.566   5.636  -4.910
  490    HA   ALA  58           HA       ALA  58   6.840   7.833  -6.748
  491   1HB   ALA  58          2HB       ALA  58   9.244   7.149  -6.311
  492   2HB   ALA  58          1HB       ALA  58   8.897   5.639  -7.153
  493   3HB   ALA  58          3HB       ALA  58   8.791   7.174  -8.015
  494    H    GLN  59           H        GLN  59   6.427   4.404  -6.342
  495    HA   GLN  59           HA       GLN  59   4.977   4.269  -8.957
  496   1HB   GLN  59          2HB       GLN  59   6.963   2.719  -8.655
  497   2HB   GLN  59          1HB       GLN  59   6.071   1.948  -7.344
  498   1HG   GLN  59          2HG       GLN  59   5.713   0.694  -9.408
  499   2HG   GLN  59          1HG       GLN  59   4.206   1.479  -8.933
  500   1HE2  GLN  59          2HE2      GLN  59   4.413   2.346 -12.465
  501   2HE2  GLN  59          1HE2      GLN  59   3.943   1.056 -11.466
  502    H    VAL  60           H        VAL  60   2.779   3.918  -8.793
  503    HA   VAL  60           HA       VAL  60   1.654   3.704  -6.090
  504    HB   VAL  60           HB       VAL  60   0.328   3.963  -8.797
  505   1HG1  VAL  60          3HG1      VAL  60  -1.047   2.843  -6.970
  506   2HG1  VAL  60          2HG1      VAL  60  -0.899   4.343  -6.053
  507   3HG1  VAL  60          1HG1      VAL  60  -1.729   4.339  -7.609
  508   1HG2  VAL  60          2HG2      VAL  60   1.800   5.845  -7.745
  509   2HG2  VAL  60          1HG2      VAL  60   0.195   6.260  -8.346
  510   3HG2  VAL  60          3HG2      VAL  60   0.456   6.031  -6.616
  511    HA   PRO  61           HA       PRO  61   0.987  -0.670  -6.473
  512   1HB   PRO  61          2HB       PRO  61  -0.378  -0.939  -4.102
  513   2HB   PRO  61          1HB       PRO  61   1.385  -0.776  -4.194
  514   1HG   PRO  61          2HG       PRO  61  -0.642   1.234  -3.335
  515   2HG   PRO  61          1HG       PRO  61   1.067   1.102  -2.888
  516   1HD   PRO  61          2HD       PRO  61  -0.027   2.905  -4.787
  517   2HD   PRO  61          1HD       PRO  61   1.697   2.552  -4.545
  518    H    ARG  62           H        ARG  62  -1.060  -2.127  -6.395
  519    HA   ARG  62           HA       ARG  62  -3.599  -0.643  -6.696
  520   1HB   ARG  62          2HB       ARG  62  -2.044  -1.274  -8.941
  521   2HB   ARG  62          1HB       ARG  62  -3.315  -2.499  -8.907
  522   1HG   ARG  62          2HG       ARG  62  -4.154  -0.612 -10.160
  523   2HG   ARG  62          1HG       ARG  62  -4.987  -0.634  -8.605
  524   1HD   ARG  62          2HD       ARG  62  -4.168   1.647  -9.273
  525   2HD   ARG  62          1HD       ARG  62  -3.528   1.091  -7.729
  526    HE   ARG  62           HE       ARG  62  -1.371   0.871  -8.741
  527   1HH1  ARG  62          2HH1      ARG  62  -3.847   1.207 -11.097
  528   2HH1  ARG  62          1HH1      ARG  62  -2.787   1.799 -12.330
  529   1HH2  ARG  62          1HH2      ARG  62   0.014   1.821 -10.286
  530   2HH2  ARG  62          2HH2      ARG  62  -0.602   2.147 -11.872
  531    H    VAL  63           H        VAL  63  -5.303  -1.864  -5.997
  532    HA   VAL  63           HA       VAL  63  -4.743  -4.733  -5.380
  533    HB   VAL  63           HB       VAL  63  -6.302  -2.575  -4.024
  534   1HG1  VAL  63          3HG1      VAL  63  -8.000  -4.348  -4.519
  535   2HG1  VAL  63          2HG1      VAL  63  -6.967  -5.521  -3.701
  536   3HG1  VAL  63          1HG1      VAL  63  -7.673  -4.182  -2.793
  537   1HG2  VAL  63          3HG2      VAL  63  -4.430  -4.815  -3.269
  538   2HG2  VAL  63          2HG2      VAL  63  -4.235  -3.081  -3.019
  539   3HG2  VAL  63          1HG2      VAL  63  -5.392  -3.985  -2.045
  540    H    GLY  64           H        GLY  64  -6.368  -6.289  -5.899
  541   1HA   GLY  64          2HA       GLY  64  -8.523  -6.920  -6.841
  542   2HA   GLY  64          1HA       GLY  64  -8.609  -5.334  -7.612
   
  No H/Q in entry =         542
  Start of MODEL           9
 Raw file had  552 H/Q atoms
  Start of MODEL    9
    1   1H    MET   1          2H        MET   1 -14.080   4.049  -1.975
    2   2H    MET   1          1H        MET   1 -15.641   3.696  -2.544
    3   3H    MET   1          3H        MET   1 -14.986   2.801  -1.261
    4    HA   MET   1           HA       MET   1 -14.027   1.372  -2.628
    5   1HB   MET   1          2HB       MET   1 -14.748   1.416  -4.991
    6   2HB   MET   1          1HB       MET   1 -16.102   1.729  -3.905
    7   1HG   MET   1          2HG       MET   1 -16.220   3.979  -4.474
    8   2HG   MET   1          1HG       MET   1 -14.523   4.055  -4.949
    9   1HE   MET   1          2HE       MET   1 -15.718   5.537  -6.435
   10   2HE   MET   1          1HE       MET   1 -15.770   5.080  -8.137
   11   3HE   MET   1          3HE       MET   1 -17.253   5.079  -7.170
   12    H    LYS   2           H        LYS   2 -12.082   2.954  -1.837
   13    HA   LYS   2           HA       LYS   2 -10.758   4.277  -4.106
   14   1HB   LYS   2          2HB       LYS   2 -10.658   4.531  -1.301
   15   2HB   LYS   2          1HB       LYS   2  -9.073   3.923  -1.779
   16   1HG   LYS   2          2HG       LYS   2 -10.445   6.299  -3.071
   17   2HG   LYS   2          1HG       LYS   2  -9.221   6.426  -1.806
   18   1HD   LYS   2          2HD       LYS   2  -7.512   5.643  -3.186
   19   2HD   LYS   2          1HD       LYS   2  -8.632   4.805  -4.262
   20   1HE   LYS   2          2HE       LYS   2  -9.460   7.411  -4.518
   21   2HE   LYS   2          1HE       LYS   2  -7.718   7.604  -4.320
   22   1HZ   LYS   2          2HZ       LYS   2  -7.749   5.589  -6.017
   23   2HZ   LYS   2          1HZ       LYS   2  -9.214   6.324  -6.468
   24   3HZ   LYS   2          3HZ       LYS   2  -7.768   7.209  -6.530
   25    H    THR   3           H        THR   3 -10.505   2.324  -5.447
   26    HA   THR   3           HA       THR   3  -8.697   0.223  -4.415
   27    HB   THR   3           HB       THR   3  -9.191  -0.962  -6.430
   28    HG1  THR   3           HG1      THR   3  -8.978   0.425  -8.043
   29   1HG2  THR   3          3HG2      THR   3 -11.453   0.509  -5.164
   30   2HG2  THR   3          2HG2      THR   3 -11.798  -0.376  -6.650
   31   3HG2  THR   3          1HG2      THR   3 -11.146  -1.226  -5.248
   32    H    GLU   4           H        GLU   4  -8.463   3.220  -6.003
   33    HA   GLU   4           HA       GLU   4  -5.760   2.502  -7.066
   34   1HB   GLU   4          2HB       GLU   4  -6.799   5.169  -7.759
   35   2HB   GLU   4          1HB       GLU   4  -6.100   3.930  -8.806
   36   1HG   GLU   4          2HG       GLU   4  -8.426   2.707  -8.282
   37   2HG   GLU   4          1HG       GLU   4  -8.956   4.374  -8.049
   38    H    TRP   5           H        TRP   5  -4.207   4.391  -6.891
   39    HA   TRP   5           HA       TRP   5  -4.696   6.149  -4.584
   40   1HB   TRP   5          2HB       TRP   5  -2.483   4.077  -4.659
   41   2HB   TRP   5          1HB       TRP   5  -2.558   5.399  -3.500
   42    HD1  TRP   5           HD1      TRP   5  -4.803   5.458  -1.907
   43    HE1  TRP   5           HE1      TRP   5  -6.114   3.482  -0.900
   44    HE3  TRP   5           HE3      TRP   5  -3.258   1.681  -5.002
   45    HZ2  TRP   5           HZ2      TRP   5  -6.450   0.684  -1.343
   46    HZ3  TRP   5           HZ3      TRP   5  -4.085  -0.624  -4.665
   47    HH2  TRP   5           HH2      TRP   5  -5.682  -1.118  -2.834
   48    HA   PRO   6           HA       PRO   6  -1.803   7.491  -8.081
   49   1HB   PRO   6          2HB       PRO   6  -3.538   9.171  -9.414
   50   2HB   PRO   6          1HB       PRO   6  -3.272   7.479  -9.872
   51   1HG   PRO   6          2HG       PRO   6  -5.571   8.687  -8.376
   52   2HG   PRO   6          1HG       PRO   6  -5.558   7.305  -9.485
   53   1HD   PRO   6          2HD       PRO   6  -5.637   7.075  -6.710
   54   2HD   PRO   6          1HD       PRO   6  -5.049   5.807  -7.809
   55    H    GLU   7           H        GLU   7  -4.277   8.973  -6.181
   56    HA   GLU   7           HA       GLU   7  -3.074  11.620  -6.033
   57   1HB   GLU   7          2HB       GLU   7  -5.206  10.125  -4.572
   58   2HB   GLU   7          1HB       GLU   7  -4.460  11.489  -3.740
   59   1HG   GLU   7          2HG       GLU   7  -6.040  12.696  -4.875
   60   2HG   GLU   7          1HG       GLU   7  -4.869  12.590  -6.190
   61    H    LEU   8           H        LEU   8  -2.474   8.540  -4.639
   62    HA   LEU   8           HA       LEU   8  -1.031   9.560  -2.313
   63   1HB   LEU   8          2HB       LEU   8  -2.110   7.490  -1.950
   64   2HB   LEU   8          1HB       LEU   8  -1.578   6.855  -3.498
   65    HG   LEU   8           HG       LEU   8   0.782   6.897  -2.641
   66   1HD1  LEU   8          3HD1      LEU   8   0.199   8.625  -0.844
   67   2HD1  LEU   8          2HD1      LEU   8  -0.548   7.305   0.053
   68   3HD1  LEU   8          1HD1      LEU   8   1.179   7.265  -0.298
   69   1HD2  LEU   8          2HD2      LEU   8  -0.954   4.943  -2.501
   70   2HD2  LEU   8          1HD2      LEU   8   0.553   4.817  -1.592
   71   3HD2  LEU   8          3HD2      LEU   8  -0.935   5.288  -0.774
   72    H    VAL   9           H        VAL   9  -0.361   9.176  -5.601
   73    HA   VAL   9           HA       VAL   9   2.298   8.211  -5.609
   74    HB   VAL   9           HB       VAL   9   0.853  10.212  -7.354
   75   1HG1  VAL   9          1HG1      VAL   9   3.314  10.828  -7.174
   76   2HG1  VAL   9          3HG1      VAL   9   3.688   9.223  -7.811
   77   3HG1  VAL   9          2HG1      VAL   9   2.790  10.374  -8.800
   78   1HG2  VAL   9          2HG2      VAL   9   1.834   7.368  -7.602
   79   2HG2  VAL   9          1HG2      VAL   9   0.197   7.986  -7.816
   80   3HG2  VAL   9          3HG2      VAL   9   1.431   8.324  -9.028
   81    H    GLY  10           H        GLY  10   4.308   9.343  -5.529
   82   1HA   GLY  10          2HA       GLY  10   5.790  10.967  -4.734
   83   2HA   GLY  10          1HA       GLY  10   4.482  12.130  -4.934
   84    H    LYS  11           H        LYS  11   3.335   9.650  -2.990
   85    HA   LYS  11           HA       LYS  11   3.751  11.330  -0.579
   86   1HB   LYS  11          2HB       LYS  11   1.506  10.128  -1.521
   87   2HB   LYS  11          1HB       LYS  11   2.092   8.881  -0.423
   88   1HG   LYS  11          2HG       LYS  11   0.979  10.100   1.147
   89   2HG   LYS  11          1HG       LYS  11   2.427  11.108   1.111
   90   1HD   LYS  11          2HD       LYS  11   0.981  12.068  -1.035
   91   2HD   LYS  11          1HD       LYS  11  -0.283  11.695   0.140
   92   1HE   LYS  11          2HE       LYS  11   1.931  12.956   1.484
   93   2HE   LYS  11          1HE       LYS  11   1.430  13.950   0.116
   94   1HZ   LYS  11          1HZ       LYS  11  -0.530  12.809   2.013
   95   2HZ   LYS  11          3HZ       LYS  11   0.228  14.299   2.305
   96   3HZ   LYS  11          2HZ       LYS  11  -0.738  14.096   0.922
   97    H    SER  12           H        SER  12   3.194   8.800   1.061
   98    HA   SER  12           HA       SER  12   5.769   7.373   0.700
   99   1HB   SER  12          2HB       SER  12   5.027   9.143   2.983
  100   2HB   SER  12          1HB       SER  12   5.918   7.664   3.343
  101    HG   SER  12           HG       SER  12   6.741   9.975   2.131
  102    H    VAL  13           H        VAL  13   5.899   5.494   2.259
  103    HA   VAL  13           HA       VAL  13   3.727   3.749   1.988
  104    HB   VAL  13           HB       VAL  13   5.745   3.777   4.247
  105   1HG1  VAL  13          1HG1      VAL  13   3.653   2.265   4.353
  106   2HG1  VAL  13          3HG1      VAL  13   4.378   1.390   3.004
  107   3HG1  VAL  13          2HG1      VAL  13   5.224   1.486   4.550
  108   1HG2  VAL  13          2HG2      VAL  13   6.069   3.430   1.414
  109   2HG2  VAL  13          1HG2      VAL  13   7.293   3.322   2.680
  110   3HG2  VAL  13          3HG2      VAL  13   6.376   1.889   2.216
  111    H    GLU  14           H        GLU  14   4.440   6.004   4.638
  112    HA   GLU  14           HA       GLU  14   2.657   5.248   6.596
  113   1HB   GLU  14          2HB       GLU  14   2.156   7.900   6.647
  114   2HB   GLU  14          1HB       GLU  14   3.665   7.206   7.237
  115   1HG   GLU  14          2HG       GLU  14   3.633   7.729   4.334
  116   2HG   GLU  14          1HG       GLU  14   3.501   9.175   5.333
  117    H    GLU  15           H        GLU  15   1.613   7.779   4.324
  118    HA   GLU  15           HA       GLU  15  -1.167   7.343   4.692
  119   1HB   GLU  15          2HB       GLU  15   0.202   9.233   3.420
  120   2HB   GLU  15          1HB       GLU  15  -0.131   8.215   2.018
  121   1HG   GLU  15          2HG       GLU  15  -2.167   9.174   1.911
  122   2HG   GLU  15          1HG       GLU  15  -2.564   8.331   3.407
  123    H    ALA  16           H        ALA  16   1.142   5.778   2.522
  124    HA   ALA  16           HA       ALA  16  -0.745   4.468   0.831
  125   1HB   ALA  16          3HB       ALA  16   2.095   4.378   1.312
  126   2HB   ALA  16          2HB       ALA  16   1.465   2.739   1.171
  127   3HB   ALA  16          1HB       ALA  16   1.204   3.896  -0.130
  128    H    LYS  17           H        LYS  17   1.243   2.474   2.974
  129    HA   LYS  17           HA       LYS  17  -0.577   0.396   3.224
  130   1HB   LYS  17          2HB       LYS  17   1.859   1.005   4.384
  131   2HB   LYS  17          1HB       LYS  17   0.770   0.975   5.772
  132   1HG   LYS  17          2HG       LYS  17   0.625  -1.222   3.730
  133   2HG   LYS  17          1HG       LYS  17   1.885  -1.262   4.962
  134   1HD   LYS  17          2HD       LYS  17  -0.296  -0.665   6.488
  135   2HD   LYS  17          1HD       LYS  17  -1.033  -1.665   5.235
  136   1HE   LYS  17          2HE       LYS  17   1.192  -2.393   7.140
  137   2HE   LYS  17          1HE       LYS  17  -0.349  -3.215   6.891
  138   1HZ   LYS  17          3HZ       LYS  17   0.662  -3.344   4.445
  139   2HZ   LYS  17          2HZ       LYS  17   2.106  -3.357   5.341
  140   3HZ   LYS  17          1HZ       LYS  17   0.922  -4.544   5.616
  141    H    LYS  18           H        LYS  18  -0.523   3.468   4.879
  142    HA   LYS  18           HA       LYS  18  -2.330   3.009   6.990
  143   1HB   LYS  18          2HB       LYS  18  -1.137   5.088   6.860
  144   2HB   LYS  18          1HB       LYS  18  -1.834   5.456   5.278
  145   1HG   LYS  18          2HG       LYS  18  -3.910   5.999   6.175
  146   2HG   LYS  18          1HG       LYS  18  -3.670   4.993   7.606
  147   1HD   LYS  18          2HD       LYS  18  -2.595   6.644   8.743
  148   2HD   LYS  18          1HD       LYS  18  -1.722   7.191   7.311
  149   1HE   LYS  18          2HE       LYS  18  -3.159   8.905   7.109
  150   2HE   LYS  18          1HE       LYS  18  -4.475   7.754   6.879
  151   1HZ   LYS  18          1HZ       LYS  18  -3.797   7.824   9.599
  152   2HZ   LYS  18          3HZ       LYS  18  -4.015   9.421   9.067
  153   3HZ   LYS  18          2HZ       LYS  18  -5.259   8.280   8.861
  154    H    VAL  19           H        VAL  19  -3.413   5.011   4.295
  155    HA   VAL  19           HA       VAL  19  -6.148   4.246   4.614
  156    HB   VAL  19           HB       VAL  19  -5.034   5.256   2.003
  157   1HG1  VAL  19          3HG1      VAL  19  -7.605   4.904   3.129
  158   2HG1  VAL  19          2HG1      VAL  19  -7.309   6.642   3.120
  159   3HG1  VAL  19          1HG1      VAL  19  -7.205   5.722   1.619
  160   1HG2  VAL  19          2HG2      VAL  19  -5.168   6.676   4.667
  161   2HG2  VAL  19          1HG2      VAL  19  -3.839   6.650   3.505
  162   3HG2  VAL  19          3HG2      VAL  19  -5.304   7.572   3.154
  163    H    ILE  20           H        ILE  20  -3.745   3.235   2.168
  164    HA   ILE  20           HA       ILE  20  -5.261   1.558   0.584
  165    HB   ILE  20           HB       ILE  20  -2.493   1.064   1.713
  166   1HG1  ILE  20          2HG1      ILE  20  -3.353   1.990  -1.040
  167   2HG1  ILE  20          1HG1      ILE  20  -2.926   3.102   0.261
  168   1HG2  ILE  20          1HG2      ILE  20  -4.210  -0.517  -0.142
  169   2HG2  ILE  20          3HG2      ILE  20  -2.511  -0.337  -0.580
  170   3HG2  ILE  20          2HG2      ILE  20  -2.951  -1.063   0.966
  171   1HD1  ILE  20          2HD1      ILE  20  -0.774   1.541   0.402
  172   2HD1  ILE  20          1HD1      ILE  20  -1.184   1.230  -1.284
  173   3HD1  ILE  20          3HD1      ILE  20  -0.857   2.877  -0.747
  174    H    LEU  21           H        LEU  21  -3.890   0.746   3.778
  175    HA   LEU  21           HA       LEU  21  -4.634  -1.933   3.970
  176   1HB   LEU  21          2HB       LEU  21  -3.370  -0.903   5.737
  177   2HB   LEU  21          1HB       LEU  21  -4.686   0.221   6.093
  178    HG   LEU  21           HG       LEU  21  -5.623  -2.526   6.162
  179   1HD1  LEU  21          1HD1      LEU  21  -3.086  -1.849   7.572
  180   2HD1  LEU  21          3HD1      LEU  21  -4.292  -2.757   8.485
  181   3HD1  LEU  21          2HD1      LEU  21  -3.658  -3.406   6.971
  182   1HD2  LEU  21          1HD2      LEU  21  -5.507  -0.170   8.052
  183   2HD2  LEU  21          3HD2      LEU  21  -6.911  -0.829   7.213
  184   3HD2  LEU  21          2HD2      LEU  21  -6.185  -1.721   8.550
  185    H    GLN  22           H        GLN  22  -6.763   0.881   4.663
  186    HA   GLN  22           HA       GLN  22  -9.029  -1.031   4.344
  187   1HB   GLN  22          2HB       GLN  22  -8.251   0.387   6.747
  188   2HB   GLN  22          1HB       GLN  22  -9.886   0.823   6.252
  189   1HG   GLN  22          2HG       GLN  22 -10.663  -1.390   6.394
  190   2HG   GLN  22          1HG       GLN  22  -9.040  -2.073   6.277
  191   1HE2  GLN  22          2HE2      GLN  22  -9.983  -2.325   9.851
  192   2HE2  GLN  22          1HE2      GLN  22 -10.486  -3.024   8.388
  193    H    ASP  23           H        ASP  23  -8.126   0.823   2.365
  194    HA   ASP  23           HA       ASP  23  -9.699   3.250   2.454
  195   1HB   ASP  23          2HB       ASP  23  -9.346   3.151  -0.102
  196   2HB   ASP  23          1HB       ASP  23  -7.897   3.264   0.897
  197    H    LYS  24           H        LYS  24 -10.148   0.089   0.852
  198    HA   LYS  24           HA       LYS  24 -12.998   0.777   0.399
  199   1HB   LYS  24          2HB       LYS  24 -11.359  -1.583  -0.570
  200   2HB   LYS  24          1HB       LYS  24 -13.010  -1.206  -1.065
  201   1HG   LYS  24          2HG       LYS  24 -12.352   0.626  -2.314
  202   2HG   LYS  24          1HG       LYS  24 -10.899   0.892  -1.351
  203   1HD   LYS  24          2HD       LYS  24 -11.359  -1.345  -3.345
  204   2HD   LYS  24          1HD       LYS  24 -10.246   0.009  -3.518
  205   1HE   LYS  24          2HE       LYS  24  -9.578  -1.128  -1.053
  206   2HE   LYS  24          1HE       LYS  24  -9.863  -2.506  -2.116
  207   1HZ   LYS  24          2HZ       LYS  24  -8.382  -1.474  -3.746
  208   2HZ   LYS  24          1HZ       LYS  24  -8.056  -0.214  -2.655
  209   3HZ   LYS  24          3HZ       LYS  24  -7.584  -1.801  -2.281
  210    HA   PRO  25           HA       PRO  25 -14.083  -2.442   3.433
  211   1HB   PRO  25          2HB       PRO  25 -13.512  -5.093   3.019
  212   2HB   PRO  25          1HB       PRO  25 -14.869  -4.268   2.233
  213   1HG   PRO  25          2HG       PRO  25 -12.271  -5.131   1.067
  214   2HG   PRO  25          1HG       PRO  25 -13.829  -4.869   0.266
  215   1HD   PRO  25          2HD       PRO  25 -11.613  -3.100   0.252
  216   2HD   PRO  25          1HD       PRO  25 -13.261  -2.742  -0.309
  217    H    GLU  26           H        GLU  26 -11.238  -4.329   2.416
  218    HA   GLU  26           HA       GLU  26  -9.533  -3.231   4.509
  219   1HB   GLU  26          2HB       GLU  26 -10.122  -6.189   4.710
  220   2HB   GLU  26          1HB       GLU  26  -9.274  -5.157   5.860
  221   1HG   GLU  26          2HG       GLU  26 -11.376  -3.965   6.351
  222   2HG   GLU  26          1HG       GLU  26 -12.227  -4.983   5.188
  223    H    ALA  27           H        ALA  27  -8.870  -3.029   1.986
  224    HA   ALA  27           HA       ALA  27  -7.456  -5.453   1.096
  225   1HB   ALA  27          2HB       ALA  27  -8.335  -2.938  -0.146
  226   2HB   ALA  27          1HB       ALA  27  -6.705  -3.409  -0.628
  227   3HB   ALA  27          3HB       ALA  27  -8.057  -4.516  -0.890
  228    H    GLN  28           H        GLN  28  -5.459  -5.844   1.923
  229    HA   GLN  28           HA       GLN  28  -3.954  -3.646   3.181
  230   1HB   GLN  28          2HB       GLN  28  -4.240  -6.289   3.805
  231   2HB   GLN  28          1HB       GLN  28  -2.692  -6.307   2.958
  232   1HG   GLN  28          2HG       GLN  28  -1.755  -4.688   4.458
  233   2HG   GLN  28          1HG       GLN  28  -3.332  -4.343   5.171
  234   1HE2  GLN  28          2HE2      GLN  28  -2.920  -6.838   7.605
  235   2HE2  GLN  28          1HE2      GLN  28  -3.608  -5.352   7.157
  236    H    ILE  29           H        ILE  29  -1.429  -3.820   2.754
  237    HA   ILE  29           HA       ILE  29  -0.912  -4.338  -0.107
  238    HB   ILE  29           HB       ILE  29  -1.586  -1.973   0.021
  239   1HG1  ILE  29          2HG1      ILE  29   1.397  -2.229  -0.402
  240   2HG1  ILE  29          1HG1      ILE  29   0.209  -2.846  -1.543
  241   1HG2  ILE  29          1HG2      ILE  29  -0.630  -1.811   2.451
  242   2HG2  ILE  29          3HG2      ILE  29   0.892  -1.432   1.643
  243   3HG2  ILE  29          2HG2      ILE  29  -0.519  -0.400   1.397
  244   1HD1  ILE  29          3HD1      ILE  29   0.058   0.009  -0.604
  245   2HD1  ILE  29          2HD1      ILE  29   1.148  -0.444  -1.912
  246   3HD1  ILE  29          1HD1      ILE  29  -0.586  -0.706  -2.082
  247    H    ILE  30           H        ILE  30   1.293  -4.680  -0.609
  248    HA   ILE  30           HA       ILE  30   2.975  -5.362   1.749
  249    HB   ILE  30           HB       ILE  30   2.879  -6.182  -1.140
  250   1HG1  ILE  30          2HG1      ILE  30   1.650  -7.478   0.553
  251   2HG1  ILE  30          1HG1      ILE  30   2.976  -8.433  -0.112
  252   1HG2  ILE  30          3HG2      ILE  30   5.314  -5.839   0.446
  253   2HG2  ILE  30          2HG2      ILE  30   5.099  -7.492  -0.134
  254   3HG2  ILE  30          1HG2      ILE  30   5.129  -6.151  -1.282
  255   1HD1  ILE  30          1HD1      ILE  30   4.366  -7.522   1.872
  256   2HD1  ILE  30          3HD1      ILE  30   2.814  -7.065   2.573
  257   3HD1  ILE  30          2HD1      ILE  30   3.159  -8.759   2.223
  258    H    VAL  31           H        VAL  31   5.104  -4.436   1.976
  259    HA   VAL  31           HA       VAL  31   5.519  -2.067   0.212
  260    HB   VAL  31           HB       VAL  31   7.218  -1.907   2.485
  261   1HG1  VAL  31          3HG1      VAL  31   4.780  -0.422   1.514
  262   2HG1  VAL  31          2HG1      VAL  31   5.728   0.105   2.906
  263   3HG1  VAL  31          1HG1      VAL  31   6.477   0.015   1.310
  264   1HG2  VAL  31          1HG2      VAL  31   4.321  -2.549   3.120
  265   2HG2  VAL  31          3HG2      VAL  31   5.748  -3.410   3.696
  266   3HG2  VAL  31          2HG2      VAL  31   5.422  -1.770   4.257
  267    H    LEU  32           H        LEU  32   7.340  -1.896  -0.946
  268    HA   LEU  32           HA       LEU  32   9.714  -3.532  -0.317
  269   1HB   LEU  32          2HB       LEU  32   9.727  -4.654  -2.487
  270   2HB   LEU  32          1HB       LEU  32   8.220  -5.014  -1.663
  271    HG   LEU  32           HG       LEU  32   8.040  -2.589  -3.259
  272   1HD1  LEU  32          2HD1      LEU  32   9.679  -4.477  -4.406
  273   2HD1  LEU  32          1HD1      LEU  32   8.097  -4.951  -5.022
  274   3HD1  LEU  32          3HD1      LEU  32   8.704  -3.321  -5.311
  275   1HD2  LEU  32          2HD2      LEU  32   6.221  -4.079  -2.219
  276   2HD2  LEU  32          1HD2      LEU  32   5.963  -3.586  -3.891
  277   3HD2  LEU  32          3HD2      LEU  32   6.551  -5.208  -3.534
  278    HA   PRO  33           HA       PRO  33  11.735  -0.165  -2.270
  279   1HB   PRO  33          2HB       PRO  33  13.984  -1.393  -3.232
  280   2HB   PRO  33          1HB       PRO  33  13.700  -1.094  -1.509
  281   1HG   PRO  33          2HG       PRO  33  13.536  -3.660  -3.021
  282   2HG   PRO  33          1HG       PRO  33  13.911  -3.385  -1.308
  283   1HD   PRO  33          2HD       PRO  33  11.427  -4.234  -2.347
  284   2HD   PRO  33          1HD       PRO  33  11.716  -3.648  -0.697
  285    H    VAL  34           H        VAL  34   9.864  -1.908  -4.049
  286    HA   VAL  34           HA       VAL  34   9.185  -1.635  -6.297
  287    HB   VAL  34           HB       VAL  34  11.881  -0.447  -6.941
  288   1HG1  VAL  34          3HG1      VAL  34   9.726  -1.055  -8.489
  289   2HG1  VAL  34          2HG1      VAL  34   9.362   0.615  -8.054
  290   3HG1  VAL  34          1HG1      VAL  34  10.881   0.222  -8.864
  291   1HG2  VAL  34          2HG2      VAL  34   9.863   0.600  -5.116
  292   2HG2  VAL  34          1HG2      VAL  34  11.485   1.203  -5.455
  293   3HG2  VAL  34          3HG2      VAL  34  10.134   1.679  -6.485
  294    H    GLY  35           H        GLY  35  12.715  -2.037  -6.538
  295   1HA   GLY  35          2HA       GLY  35  12.782  -3.994  -8.512
  296   2HA   GLY  35          1HA       GLY  35  14.000  -3.868  -7.242
  297    H    THR  36           H        THR  36  14.080  -5.465  -5.709
  298    HA   THR  36           HA       THR  36  12.380  -7.805  -6.072
  299    HB   THR  36           HB       THR  36  13.970  -7.723  -3.610
  300    HG1  THR  36           HG1      THR  36  15.467  -6.539  -4.544
  301   1HG2  THR  36          1HG2      THR  36  13.107  -9.575  -5.542
  302   2HG2  THR  36          3HG2      THR  36  14.864  -9.527  -5.689
  303   3HG2  THR  36          2HG2      THR  36  14.120  -9.905  -4.136
  304    H    ILE  37           H        ILE  37  11.121  -8.755  -4.255
  305    HA   ILE  37           HA       ILE  37   9.892  -6.603  -2.582
  306    HB   ILE  37           HB       ILE  37   8.326  -7.600  -4.197
  307   1HG1  ILE  37          2HG1      ILE  37   7.844  -8.543  -1.349
  308   2HG1  ILE  37          1HG1      ILE  37   7.488  -6.929  -1.966
  309   1HG2  ILE  37          1HG2      ILE  37   9.030 -10.201  -2.797
  310   2HG2  ILE  37          3HG2      ILE  37   7.768 -10.008  -4.015
  311   3HG2  ILE  37          2HG2      ILE  37   9.459  -9.773  -4.454
  312   1HD1  ILE  37          3HD1      ILE  37   6.347  -9.204  -3.500
  313   2HD1  ILE  37          2HD1      ILE  37   5.650  -8.907  -1.907
  314   3HD1  ILE  37          1HD1      ILE  37   5.641  -7.631  -3.126
  315    H    VAL  38           H        VAL  38  10.997  -9.976  -2.606
  316    HA   VAL  38           HA       VAL  38  10.791 -10.016   0.368
  317    HB   VAL  38           HB       VAL  38  11.060 -12.446   0.159
  318   1HG1  VAL  38          3HG1      VAL  38   8.901 -10.892  -0.851
  319   2HG1  VAL  38          2HG1      VAL  38   9.078 -12.289  -1.912
  320   3HG1  VAL  38          1HG1      VAL  38   8.836 -12.522  -0.182
  321   1HG2  VAL  38          3HG2      VAL  38  12.321 -11.802  -2.237
  322   2HG2  VAL  38          2HG2      VAL  38  11.901 -13.429  -1.702
  323   3HG2  VAL  38          1HG2      VAL  38  10.804 -12.536  -2.755
  324    H    THR  39           H        THR  39  13.044  -9.920  -2.261
  325    HA   THR  39           HA       THR  39  15.393 -10.146  -2.318
  326    HB   THR  39           HB       THR  39  15.307  -7.919  -1.509
  327    HG1  THR  39           HG1      THR  39  17.264  -9.203  -1.038
  328   1HG2  THR  39          2HG2      THR  39  14.630  -9.077   1.210
  329   2HG2  THR  39          1HG2      THR  39  14.870  -7.368   0.858
  330   3HG2  THR  39          3HG2      THR  39  13.511  -8.232   0.140
  331   1H    GLU  41          2H        GLU  41  -9.774  -8.360  -9.503
  332   2H    GLU  41          1H        GLU  41 -10.196  -8.596 -11.131
  333   3H    GLU  41          3H        GLU  41 -11.283  -7.833 -10.079
  334    HA   GLU  41           HA       GLU  41 -12.184  -9.916 -10.117
  335   1HB   GLU  41          2HB       GLU  41  -9.341 -10.716 -10.623
  336   2HB   GLU  41          1HB       GLU  41 -10.453 -11.916  -9.962
  337   1HG   GLU  41          2HG       GLU  41 -12.033 -10.985 -11.900
  338   2HG   GLU  41          1HG       GLU  41 -10.482 -10.572 -12.633
  339    H    TYR  42           H        TYR  42 -13.021  -9.967  -8.065
  340    HA   TYR  42           HA       TYR  42 -13.121 -10.317  -5.748
  341   1HB   TYR  42          2HB       TYR  42 -12.263 -12.463  -5.920
  342   2HB   TYR  42          1HB       TYR  42 -10.768 -11.918  -6.668
  343    HD1  TYR  42           HD2      TYR  42 -12.628 -11.639  -3.415
  344    HD2  TYR  42           HD1      TYR  42  -8.831 -11.899  -5.404
  345    HE1  TYR  42           HE2      TYR  42 -11.490 -11.748  -1.220
  346    HE2  TYR  42           HE1      TYR  42  -7.692 -12.013  -3.210
  347    HH   TYR  42           HH       TYR  42  -8.029 -12.373  -0.978
  348    H    ARG  43           H        ARG  43 -12.161  -9.477  -3.732
  349    HA   ARG  43           HA       ARG  43 -10.434  -7.126  -4.290
  350   1HB   ARG  43          2HB       ARG  43 -11.216  -6.258  -2.189
  351   2HB   ARG  43          1HB       ARG  43 -12.617  -6.917  -3.033
  352   1HG   ARG  43          2HG       ARG  43 -11.683  -9.110  -1.641
  353   2HG   ARG  43          1HG       ARG  43 -11.370  -7.789  -0.514
  354   1HD   ARG  43          2HD       ARG  43 -13.960  -7.393  -1.683
  355   2HD   ARG  43          1HD       ARG  43 -13.864  -9.047  -1.084
  356    HE   ARG  43           HE       ARG  43 -14.120  -6.749   0.568
  357   1HH1  ARG  43          2HH1      ARG  43 -11.646  -6.809   1.706
  358   2HH1  ARG  43          1HH1      ARG  43 -11.584  -8.189   2.749
  359   1HH2  ARG  43          1HH2      ARG  43 -14.312  -9.752   1.287
  360   2HH2  ARG  43          2HH2      ARG  43 -13.092  -9.855   2.513
  361    H    ILE  44           H        ILE  44  -8.540  -8.801  -4.507
  362    HA   ILE  44           HA       ILE  44  -7.543 -10.227  -2.286
  363    HB   ILE  44           HB       ILE  44  -6.348 -10.392  -4.390
  364   1HG1  ILE  44          2HG1      ILE  44  -4.144  -9.035  -3.161
  365   2HG1  ILE  44          1HG1      ILE  44  -5.131  -9.743  -1.877
  366   1HG2  ILE  44          3HG2      ILE  44  -6.405  -7.440  -4.150
  367   2HG2  ILE  44          2HG2      ILE  44  -4.892  -8.107  -4.762
  368   3HG2  ILE  44          1HG2      ILE  44  -6.408  -8.449  -5.596
  369   1HD1  ILE  44          3HD1      ILE  44  -4.520 -11.407  -4.297
  370   2HD1  ILE  44          2HD1      ILE  44  -3.254 -11.181  -3.089
  371   3HD1  ILE  44          1HD1      ILE  44  -4.793 -11.913  -2.630
  372    H    ASP  45           H        ASP  45  -6.481  -9.582  -0.412
  373    HA   ASP  45           HA       ASP  45  -6.657  -6.688   0.130
  374   1HB   ASP  45          2HB       ASP  45  -6.600  -7.255   2.442
  375   2HB   ASP  45          1HB       ASP  45  -7.628  -8.459   1.661
  376    H    ARG  46           H        ARG  46  -4.631  -7.275  -1.626
  377    HA   ARG  46           HA       ARG  46  -2.302  -6.417  -0.038
  378   1HB   ARG  46          2HB       ARG  46  -1.915  -8.803  -0.072
  379   2HB   ARG  46          1HB       ARG  46  -2.272  -8.886  -1.798
  380   1HG   ARG  46          2HG       ARG  46  -0.328  -7.380  -2.233
  381   2HG   ARG  46          1HG       ARG  46   0.057  -7.428  -0.513
  382   1HD   ARG  46          2HD       ARG  46   1.004  -9.473  -0.680
  383   2HD   ARG  46          1HD       ARG  46  -0.320 -10.093  -1.666
  384    HE   ARG  46           HE       ARG  46   1.480  -8.285  -3.103
  385   1HH1  ARG  46          1HH2      ARG  46   2.527 -11.003  -1.723
  386   2HH1  ARG  46          2HH2      ARG  46   2.661 -11.967  -3.156
  387   1HH2  ARG  46          2HH1      ARG  46   0.880  -9.742  -5.134
  388   2HH2  ARG  46          1HH1      ARG  46   1.723 -11.256  -5.086
  389    H    VAL  47           H        VAL  47  -0.659  -5.435  -1.404
  390    HA   VAL  47           HA       VAL  47  -1.262  -5.044  -4.249
  391    HB   VAL  47           HB       VAL  47  -0.795  -2.430  -3.026
  392   1HG1  VAL  47          3HG1      VAL  47  -1.600  -3.051  -5.374
  393   2HG1  VAL  47          2HG1      VAL  47  -3.167  -3.384  -4.635
  394   3HG1  VAL  47          1HG1      VAL  47  -2.483  -1.759  -4.561
  395   1HG2  VAL  47          3HG2      VAL  47  -3.313  -3.945  -2.264
  396   2HG2  VAL  47          2HG2      VAL  47  -2.095  -3.318  -1.154
  397   3HG2  VAL  47          1HG2      VAL  47  -3.099  -2.204  -2.081
  398    H    ARG  48           H        ARG  48   0.578  -3.119  -4.886
  399    HA   ARG  48           HA       ARG  48   3.073  -4.274  -3.712
  400   1HB   ARG  48          2HB       ARG  48   2.331  -3.406  -6.471
  401   2HB   ARG  48          1HB       ARG  48   4.011  -3.212  -5.967
  402   1HG   ARG  48          2HG       ARG  48   2.396  -5.785  -5.926
  403   2HG   ARG  48          1HG       ARG  48   3.742  -5.408  -7.002
  404   1HD   ARG  48          2HD       ARG  48   4.865  -4.953  -4.548
  405   2HD   ARG  48          1HD       ARG  48   3.779  -6.289  -4.183
  406    HE   ARG  48           HE       ARG  48   6.223  -6.696  -5.391
  407   1HH1  ARG  48          1HH2      ARG  48   5.179  -6.437  -8.067
  408   2HH1  ARG  48          2HH2      ARG  48   4.501  -7.994  -8.414
  409   1HH2  ARG  48          2HH1      ARG  48   4.377  -8.974  -5.090
  410   2HH2  ARG  48          1HH1      ARG  48   4.049  -9.430  -6.729
  411    H    LEU  49           H        LEU  49   2.598  -2.479  -2.002
  412    HA   LEU  49           HA       LEU  49   2.911   0.274  -2.621
  413   1HB   LEU  49          2HB       LEU  49   2.313  -0.684  -0.343
  414   2HB   LEU  49          1HB       LEU  49   4.009  -1.092  -0.146
  415    HG   LEU  49           HG       LEU  49   3.470   1.052   0.946
  416   1HD1  LEU  49          3HD1      LEU  49   5.707   0.610  -0.250
  417   2HD1  LEU  49          2HD1      LEU  49   5.106   1.697  -1.508
  418   3HD1  LEU  49          1HD1      LEU  49   5.316   2.284   0.142
  419   1HD2  LEU  49          1HD2      LEU  49   2.658   1.888  -1.851
  420   2HD2  LEU  49          3HD2      LEU  49   1.623   1.801  -0.420
  421   3HD2  LEU  49          2HD2      LEU  49   2.908   3.010  -0.518
  422    H    PHE  50           H        PHE  50   4.515   0.568  -4.189
  423    HA   PHE  50           HA       PHE  50   7.245  -0.452  -3.706
  424   1HB   PHE  50          2HB       PHE  50   5.869   1.136  -5.867
  425   2HB   PHE  50          1HB       PHE  50   7.630   1.049  -5.817
  426    HD1  PHE  50           HD2      PHE  50   6.640  -1.961  -4.418
  427    HD2  PHE  50           HD1      PHE  50   6.657   0.062  -8.206
  428    HE1  PHE  50           HE2      PHE  50   6.509  -4.139  -5.585
  429    HE2  PHE  50           HE1      PHE  50   6.526  -2.119  -9.371
  430    HZ   PHE  50           HZ       PHE  50   6.453  -4.221  -8.061
  431    H    VAL  51           H        VAL  51   8.985   0.916  -3.082
  432    HA   VAL  51           HA       VAL  51   8.189   3.711  -2.368
  433    HB   VAL  51           HB       VAL  51   9.895   3.511  -0.506
  434   1HG1  VAL  51          1HG1      VAL  51   7.238   2.885  -0.561
  435   2HG1  VAL  51          3HG1      VAL  51   7.922   1.393   0.081
  436   3HG1  VAL  51          2HG1      VAL  51   8.212   2.924   0.909
  437   1HG2  VAL  51          1HG2      VAL  51  10.434   1.082  -1.842
  438   2HG2  VAL  51          3HG2      VAL  51  11.144   1.644  -0.330
  439   3HG2  VAL  51          2HG2      VAL  51   9.699   0.635  -0.303
  440    H    ASP  52           H        ASP  52  10.512   4.880  -1.821
  441    HA   ASP  52           HA       ASP  52  12.254   4.305  -4.175
  442   1HB   ASP  52          2HB       ASP  52  12.220   6.505  -4.871
  443   2HB   ASP  52          1HB       ASP  52  10.614   6.412  -4.160
  444    H    LYS  53           H        LYS  53  14.028   6.487  -3.492
  445    HA   LYS  53           HA       LYS  53  15.831   5.173  -1.729
  446   1HB   LYS  53          2HB       LYS  53  15.753   8.122  -2.321
  447   2HB   LYS  53          1HB       LYS  53  17.175   7.109  -2.056
  448   1HG   LYS  53          2HG       LYS  53  16.329   5.817  -4.160
  449   2HG   LYS  53          1HG       LYS  53  15.369   7.266  -4.466
  450   1HD   LYS  53          2HD       LYS  53  17.746   8.428  -3.949
  451   2HD   LYS  53          1HD       LYS  53  18.321   6.887  -4.587
  452   1HE   LYS  53          2HE       LYS  53  17.685   7.405  -6.696
  453   2HE   LYS  53          1HE       LYS  53  16.123   8.021  -6.158
  454   1HZ   LYS  53          1HZ       LYS  53  18.175   9.750  -5.296
  455   2HZ   LYS  53          3HZ       LYS  53  18.339   9.486  -6.965
  456   3HZ   LYS  53          2HZ       LYS  53  16.874  10.080  -6.339
  457    H    LEU  54           H        LEU  54  13.888   8.148  -1.271
  458    HA   LEU  54           HA       LEU  54  14.267   7.895   1.665
  459   1HB   LEU  54          2HB       LEU  54  13.666  10.094  -0.224
  460   2HB   LEU  54          1HB       LEU  54  12.839  10.182   1.330
  461    HG   LEU  54           HG       LEU  54  14.988  11.351   1.472
  462   1HD1  LEU  54          3HD1      LEU  54  14.048   9.702   3.319
  463   2HD1  LEU  54          2HD1      LEU  54  15.500   8.781   2.926
  464   3HD1  LEU  54          1HD1      LEU  54  15.639  10.441   3.505
  465   1HD2  LEU  54          2HD2      LEU  54  16.032   8.716   0.426
  466   2HD2  LEU  54          1HD2      LEU  54  16.324  10.338  -0.203
  467   3HD2  LEU  54          3HD2      LEU  54  17.074   9.830   1.309
  468    H    ASP  55           H        ASP  55  12.574   5.953   0.539
  469    HA   ASP  55           HA       ASP  55  10.381   5.108   0.638
  470   1HB   ASP  55          2HB       ASP  55   9.335   6.607   2.830
  471   2HB   ASP  55          1HB       ASP  55   9.941   4.949   2.836
  472    H    ASN  56           H        ASN  56  10.200   6.650  -1.362
  473    HA   ASN  56           HA       ASN  56   7.892   8.468  -0.872
  474   1HB   ASN  56          2HB       ASN  56   9.261  10.133  -1.589
  475   2HB   ASN  56          1HB       ASN  56  10.461   8.998  -2.192
  476   1HD2  ASN  56          2HD2      ASN  56   7.531  10.343  -4.740
  477   2HD2  ASN  56          1HD2      ASN  56   7.279  10.430  -3.065
  478    H    ILE  57           H        ILE  57   6.310   7.080  -1.445
  479    HA   ILE  57           HA       ILE  57   6.257   5.050  -3.314
  480    HB   ILE  57           HB       ILE  57   3.982   7.019  -2.970
  481   1HG1  ILE  57          2HG1      ILE  57   4.747   4.614  -1.286
  482   2HG1  ILE  57          1HG1      ILE  57   4.802   6.298  -0.765
  483   1HG2  ILE  57          1HG2      ILE  57   4.280   4.217  -3.992
  484   2HG2  ILE  57          3HG2      ILE  57   2.770   4.694  -3.215
  485   3HG2  ILE  57          2HG2      ILE  57   3.331   5.550  -4.651
  486   1HD1  ILE  57          2HD1      ILE  57   2.293   6.344  -1.473
  487   2HD1  ILE  57          1HD1      ILE  57   2.403   4.590  -1.354
  488   3HD1  ILE  57          3HD1      ILE  57   2.728   5.591   0.060
  489    H    ALA  58           H        ALA  58   7.533   5.535  -5.120
  490    HA   ALA  58           HA       ALA  58   6.788   7.806  -6.849
  491   1HB   ALA  58          3HB       ALA  58   9.058   5.939  -6.613
  492   2HB   ALA  58          2HB       ALA  58   8.611   6.322  -8.277
  493   3HB   ALA  58          1HB       ALA  58   9.035   7.618  -7.157
  494    H    GLN  59           H        GLN  59   6.127   4.437  -6.522
  495    HA   GLN  59           HA       GLN  59   4.632   4.504  -9.113
  496   1HB   GLN  59          2HB       GLN  59   6.777   3.025  -9.020
  497   2HB   GLN  59          1HB       GLN  59   5.813   1.965  -7.991
  498   1HG   GLN  59          2HG       GLN  59   4.034   2.029  -9.820
  499   2HG   GLN  59          1HG       GLN  59   5.252   2.785 -10.848
  500   1HE2  GLN  59          2HE2      GLN  59   7.230  -0.196 -11.131
  501   2HE2  GLN  59          1HE2      GLN  59   7.311   1.498 -11.187
  502    H    VAL  60           H        VAL  60   2.565   4.749  -8.333
  503    HA   VAL  60           HA       VAL  60   1.697   3.589  -5.837
  504    HB   VAL  60           HB       VAL  60   0.345   5.044  -8.089
  505   1HG1  VAL  60          2HG1      VAL  60  -0.912   3.145  -6.246
  506   2HG1  VAL  60          1HG1      VAL  60  -1.582   4.761  -6.112
  507   3HG1  VAL  60          3HG1      VAL  60  -1.589   3.940  -7.667
  508   1HG2  VAL  60          1HG2      VAL  60   1.650   6.120  -6.150
  509   2HG2  VAL  60          3HG2      VAL  60   0.014   6.718  -6.434
  510   3HG2  VAL  60          2HG2      VAL  60   0.324   5.587  -5.116
  511    HA   PRO  61           HA       PRO  61   0.555  -0.378  -7.507
  512   1HB   PRO  61          2HB       PRO  61  -0.429  -1.373  -5.147
  513   2HB   PRO  61          1HB       PRO  61   1.304  -1.240  -5.492
  514   1HG   PRO  61          2HG       PRO  61  -0.366   0.405  -3.662
  515   2HG   PRO  61          1HG       PRO  61   1.382   0.124  -3.642
  516   1HD   PRO  61          2HD       PRO  61   0.041   2.450  -4.624
  517   2HD   PRO  61          1HD       PRO  61   1.771   2.076  -4.762
  518    H    ARG  62           H        ARG  62  -1.635  -1.816  -7.023
  519    HA   ARG  62           HA       ARG  62  -3.998  -0.078  -6.704
  520   1HB   ARG  62          2HB       ARG  62  -2.982  -0.553  -9.259
  521   2HB   ARG  62          1HB       ARG  62  -4.313  -1.698  -9.099
  522   1HG   ARG  62          2HG       ARG  62  -5.419   0.215  -9.866
  523   2HG   ARG  62          1HG       ARG  62  -5.608   0.360  -8.117
  524   1HD   ARG  62          2HD       ARG  62  -4.807   2.462  -9.343
  525   2HD   ARG  62          1HD       ARG  62  -3.845   1.954  -7.954
  526    HE   ARG  62           HE       ARG  62  -2.063   1.484  -9.432
  527   1HH1  ARG  62          2HH1      ARG  62  -4.083  -0.137 -11.205
  528   2HH1  ARG  62          1HH1      ARG  62  -3.817   0.642 -12.729
  529   1HH2  ARG  62          1HH2      ARG  62  -2.123   3.339 -11.354
  530   2HH2  ARG  62          2HH2      ARG  62  -2.703   2.610 -12.816
  531    H    VAL  63           H        VAL  63  -5.834  -1.239  -6.082
  532    HA   VAL  63           HA       VAL  63  -5.399  -4.163  -5.623
  533    HB   VAL  63           HB       VAL  63  -6.635  -1.981  -4.031
  534   1HG1  VAL  63          1HG1      VAL  63  -8.609  -3.415  -4.494
  535   2HG1  VAL  63          3HG1      VAL  63  -7.713  -4.818  -3.911
  536   3HG1  VAL  63          2HG1      VAL  63  -8.127  -3.511  -2.798
  537   1HG2  VAL  63          1HG2      VAL  63  -4.846  -4.319  -3.689
  538   2HG2  VAL  63          3HG2      VAL  63  -4.770  -2.726  -2.936
  539   3HG2  VAL  63          2HG2      VAL  63  -5.878  -3.947  -2.309
  540    H    GLY  64           H        GLY  64  -7.471  -1.741  -7.039
  541   1HA   GLY  64          2HA       GLY  64  -9.773  -3.430  -7.445
  542   2HA   GLY  64          1HA       GLY  64  -9.434  -1.935  -8.316
   
  No H/Q in entry =         542
  Start of MODEL          10
 Raw file had  552 H/Q atoms
  Start of MODEL   10
    1   1H    MET   1          2H        MET   1 -13.424   3.575  -4.249
    2   2H    MET   1          1H        MET   1 -14.749   4.179  -3.373
    3   3H    MET   1          3H        MET   1 -14.647   4.446  -5.045
    4    HA   MET   1           HA       MET   1 -13.510   6.300  -4.742
    5   1HB   MET   1          2HB       MET   1 -13.950   5.534  -1.855
    6   2HB   MET   1          1HB       MET   1 -13.191   7.056  -2.321
    7   1HG   MET   1          2HG       MET   1 -15.913   6.137  -3.289
    8   2HG   MET   1          1HG       MET   1 -15.657   7.271  -1.963
    9   1HE   MET   1          2HE       MET   1 -17.337   8.547  -3.291
   10   2HE   MET   1          1HE       MET   1 -16.987   9.591  -4.668
   11   3HE   MET   1          3HE       MET   1 -17.305   7.868  -4.917
   12    H    LYS   2           H        LYS   2 -11.908   5.484  -1.818
   13    HA   LYS   2           HA       LYS   2  -9.321   5.680  -3.047
   14   1HB   LYS   2          2HB       LYS   2 -10.269   5.825  -0.466
   15   2HB   LYS   2          1HB       LYS   2  -9.418   4.283  -0.463
   16   1HG   LYS   2          2HG       LYS   2  -7.805   5.960   0.128
   17   2HG   LYS   2          1HG       LYS   2  -7.454   5.476  -1.531
   18   1HD   LYS   2          2HD       LYS   2  -7.377   7.870  -1.494
   19   2HD   LYS   2          1HD       LYS   2  -8.894   7.433  -2.282
   20   1HE   LYS   2          2HE       LYS   2  -9.527   9.101  -0.731
   21   2HE   LYS   2          1HE       LYS   2  -9.940   7.592   0.081
   22   1HZ   LYS   2          3HZ       LYS   2  -7.237   8.601   0.484
   23   2HZ   LYS   2          2HZ       LYS   2  -8.489   9.483   1.218
   24   3HZ   LYS   2          1HZ       LYS   2  -8.284   7.834   1.576
   25    H    THR   3           H        THR   3  -8.958   4.120  -4.599
   26    HA   THR   3           HA       THR   3  -8.701   1.312  -3.616
   27    HB   THR   3           HB       THR   3  -9.642   0.567  -5.864
   28    HG1  THR   3           HG1      THR   3 -10.955   3.018  -5.995
   29   1HG2  THR   3          1HG2      THR   3 -11.003   1.451  -3.496
   30   2HG2  THR   3          3HG2      THR   3 -12.020   1.793  -4.894
   31   3HG2  THR   3          2HG2      THR   3 -11.453   0.149  -4.598
   32    H    GLU   4           H        GLU   4  -8.061   3.697  -6.164
   33    HA   GLU   4           HA       GLU   4  -5.747   2.149  -7.145
   34   1HB   GLU   4          2HB       GLU   4  -7.257   4.584  -8.025
   35   2HB   GLU   4          1HB       GLU   4  -5.585   4.411  -8.551
   36   1HG   GLU   4          2HG       GLU   4  -6.343   3.064 -10.197
   37   2HG   GLU   4          1HG       GLU   4  -6.719   1.874  -8.950
   38    H    TRP   5           H        TRP   5  -6.451   5.114  -5.372
   39    HA   TRP   5           HA       TRP   5  -5.008   6.507  -4.145
   40   1HB   TRP   5          2HB       TRP   5  -3.064   4.202  -4.366
   41   2HB   TRP   5          1HB       TRP   5  -3.056   5.487  -3.161
   42    HD1  TRP   5           HD1      TRP   5  -5.417   5.532  -1.577
   43    HE1  TRP   5           HE1      TRP   5  -6.582   3.501  -0.510
   44    HE3  TRP   5           HE3      TRP   5  -3.617   1.783  -4.578
   45    HZ2  TRP   5           HZ2      TRP   5  -6.724   0.675  -0.861
   46    HZ3  TRP   5           HZ3      TRP   5  -4.284  -0.566  -4.164
   47    HH2  TRP   5           HH2      TRP   5  -5.836  -1.122  -2.314
   48    HA   PRO   6           HA       PRO   6  -2.301   6.804  -8.025
   49   1HB   PRO   6          2HB       PRO   6  -3.817   8.496  -9.582
   50   2HB   PRO   6          1HB       PRO   6  -3.873   6.731  -9.737
   51   1HG   PRO   6          2HG       PRO   6  -5.850   8.570  -8.449
   52   2HG   PRO   6          1HG       PRO   6  -6.119   7.006  -9.239
   53   1HD   PRO   6          2HD       PRO   6  -6.028   7.410  -6.461
   54   2HD   PRO   6          1HD       PRO   6  -5.835   5.851  -7.281
   55    H    GLU   7           H        GLU   7  -4.479   8.948  -6.446
   56    HA   GLU   7           HA       GLU   7  -2.891  11.366  -6.702
   57   1HB   GLU   7          2HB       GLU   7  -4.778  10.768  -4.429
   58   2HB   GLU   7          1HB       GLU   7  -4.401  12.331  -5.153
   59   1HG   GLU   7          2HG       GLU   7  -5.952  10.072  -6.455
   60   2HG   GLU   7          1HG       GLU   7  -6.602  11.622  -5.926
   61    H    LEU   8           H        LEU   8  -2.476   8.475  -4.968
   62    HA   LEU   8           HA       LEU   8  -1.179   9.695  -2.664
   63   1HB   LEU   8          2HB       LEU   8  -1.453   7.656  -1.749
   64   2HB   LEU   8          1HB       LEU   8  -2.316   7.213  -3.209
   65    HG   LEU   8           HG       LEU   8  -0.687   5.517  -2.832
   66   1HD1  LEU   8          3HD1      LEU   8  -0.474   7.222  -5.129
   67   2HD1  LEU   8          2HD1      LEU   8   1.118   6.576  -4.736
   68   3HD1  LEU   8          1HD1      LEU   8  -0.234   5.480  -5.018
   69   1HD2  LEU   8          3HD2      LEU   8   0.810   7.660  -1.708
   70   2HD2  LEU   8          2HD2      LEU   8   1.150   5.932  -1.633
   71   3HD2  LEU   8          1HD2      LEU   8   1.803   6.904  -2.953
   72    H    VAL   9           H        VAL   9  -0.306   9.213  -5.850
   73    HA   VAL   9           HA       VAL   9   2.334   8.332  -5.820
   74    HB   VAL   9           HB       VAL   9   1.043  10.546  -7.425
   75   1HG1  VAL   9          1HG1      VAL   9   3.532  10.929  -7.167
   76   2HG1  VAL   9          3HG1      VAL   9   3.789   9.338  -7.891
   77   3HG1  VAL   9          2HG1      VAL   9   3.021  10.618  -8.831
   78   1HG2  VAL   9          3HG2      VAL   9   1.909   7.704  -8.032
   79   2HG2  VAL   9          2HG2      VAL   9   0.252   8.294  -7.909
   80   3HG2  VAL   9          1HG2      VAL   9   1.281   8.829  -9.236
   81    H    GLY  10           H        GLY  10   4.357   9.342  -5.539
   82   1HA   GLY  10          2HA       GLY  10   5.889  10.862  -4.648
   83   2HA   GLY  10          1HA       GLY  10   4.648  12.096  -4.840
   84    H    LYS  11           H        LYS  11   3.291   9.671  -2.987
   85    HA   LYS  11           HA       LYS  11   3.787  11.266  -0.540
   86   1HB   LYS  11          2HB       LYS  11   1.493  10.128  -1.525
   87   2HB   LYS  11          1HB       LYS  11   2.003   8.931  -0.332
   88   1HG   LYS  11          2HG       LYS  11   1.141  10.265   1.262
   89   2HG   LYS  11          1HG       LYS  11   2.413  11.430   0.892
   90   1HD   LYS  11          2HD       LYS  11   0.937  12.843  -0.057
   91   2HD   LYS  11          1HD       LYS  11   0.298  11.562  -1.087
   92   1HE   LYS  11          2HE       LYS  11  -0.660  10.932   1.457
   93   2HE   LYS  11          1HE       LYS  11  -0.813  12.685   1.360
   94   1HZ   LYS  11          3HZ       LYS  11  -1.616  11.285  -1.030
   95   2HZ   LYS  11          2HZ       LYS  11  -2.574  10.937   0.330
   96   3HZ   LYS  11          1HZ       LYS  11  -2.392  12.542  -0.196
   97    H    SER  12           H        SER  12   3.157   8.899   1.176
   98    HA   SER  12           HA       SER  12   5.650   7.309   0.805
   99   1HB   SER  12          2HB       SER  12   5.054   9.221   2.955
  100   2HB   SER  12          1HB       SER  12   5.532   7.625   3.539
  101    HG   SER  12           HG       SER  12   7.168   9.408   2.849
  102    H    VAL  13           H        VAL  13   5.669   5.359   2.225
  103    HA   VAL  13           HA       VAL  13   3.361   3.787   1.951
  104    HB   VAL  13           HB       VAL  13   5.485   3.527   4.100
  105   1HG1  VAL  13          3HG1      VAL  13   3.135   1.976   3.390
  106   2HG1  VAL  13          2HG1      VAL  13   4.602   1.017   3.192
  107   3HG1  VAL  13          1HG1      VAL  13   4.239   1.761   4.749
  108   1HG2  VAL  13          1HG2      VAL  13   5.354   2.473   1.256
  109   2HG2  VAL  13          3HG2      VAL  13   6.503   3.656   1.882
  110   3HG2  VAL  13          2HG2      VAL  13   6.559   1.986   2.446
  111    H    GLU  14           H        GLU  14   4.322   5.945   4.583
  112    HA   GLU  14           HA       GLU  14   2.587   5.226   6.620
  113   1HB   GLU  14          2HB       GLU  14   2.292   7.804   6.947
  114   2HB   GLU  14          1HB       GLU  14   3.899   7.102   7.116
  115   1HG   GLU  14          2HG       GLU  14   3.625   7.667   4.370
  116   2HG   GLU  14          1HG       GLU  14   2.958   9.069   5.206
  117    H    GLU  15           H        GLU  15   1.648   7.692   4.178
  118    HA   GLU  15           HA       GLU  15  -1.154   7.486   4.759
  119   1HB   GLU  15          2HB       GLU  15   0.451   9.089   3.131
  120   2HB   GLU  15          1HB       GLU  15  -0.564   8.205   1.990
  121   1HG   GLU  15          2HG       GLU  15  -2.227   9.645   2.468
  122   2HG   GLU  15          1HG       GLU  15  -2.286   8.941   4.085
  123    H    ALA  16           H        ALA  16   0.965   5.743   2.521
  124    HA   ALA  16           HA       ALA  16  -1.112   4.486   1.017
  125   1HB   ALA  16          2HB       ALA  16   1.735   4.288   1.229
  126   2HB   ALA  16          1HB       ALA  16   1.062   2.661   1.312
  127   3HB   ALA  16          3HB       ALA  16   0.697   3.698  -0.067
  128    H    LYS  17           H        LYS  17   0.919   2.518   3.177
  129    HA   LYS  17           HA       LYS  17  -0.922   0.509   3.694
  130   1HB   LYS  17          2HB       LYS  17   1.374   1.647   5.177
  131   2HB   LYS  17          1HB       LYS  17   0.231   0.734   6.161
  132   1HG   LYS  17          2HG       LYS  17   0.816  -0.595   3.626
  133   2HG   LYS  17          1HG       LYS  17   2.264  -0.350   4.602
  134   1HD   LYS  17          2HD       LYS  17   0.151  -1.194   6.337
  135   2HD   LYS  17          1HD       LYS  17   0.212  -2.300   4.964
  136   1HE   LYS  17          2HE       LYS  17   1.977  -3.302   5.939
  137   2HE   LYS  17          1HE       LYS  17   2.898  -1.825   5.661
  138   1HZ   LYS  17          2HZ       LYS  17   2.033  -0.969   7.775
  139   2HZ   LYS  17          1HZ       LYS  17   1.251  -2.453   8.050
  140   3HZ   LYS  17          3HZ       LYS  17   2.944  -2.389   7.982
  141    H    LYS  18           H        LYS  18  -0.647   3.627   5.341
  142    HA   LYS  18           HA       LYS  18  -2.501   3.393   7.395
  143   1HB   LYS  18          2HB       LYS  18  -1.282   5.444   7.105
  144   2HB   LYS  18          1HB       LYS  18  -1.982   5.700   5.503
  145   1HG   LYS  18          2HG       LYS  18  -3.674   6.844   6.453
  146   2HG   LYS  18          1HG       LYS  18  -4.145   5.390   7.334
  147   1HD   LYS  18          2HD       LYS  18  -3.738   6.915   9.068
  148   2HD   LYS  18          1HD       LYS  18  -2.206   6.046   8.959
  149   1HE   LYS  18          2HE       LYS  18  -1.523   7.908   7.278
  150   2HE   LYS  18          1HE       LYS  18  -2.877   8.810   7.960
  151   1HZ   LYS  18          2HZ       LYS  18  -1.137   7.572   9.908
  152   2HZ   LYS  18          1HZ       LYS  18  -0.401   8.794   8.985
  153   3HZ   LYS  18          3HZ       LYS  18  -1.801   9.135   9.880
  154    H    VAL  19           H        VAL  19  -3.496   5.102   4.470
  155    HA   VAL  19           HA       VAL  19  -6.272   4.430   4.880
  156    HB   VAL  19           HB       VAL  19  -5.252   5.364   2.221
  157   1HG1  VAL  19          3HG1      VAL  19  -7.737   5.163   3.508
  158   2HG1  VAL  19          2HG1      VAL  19  -7.349   6.883   3.538
  159   3HG1  VAL  19          1HG1      VAL  19  -7.399   6.018   2.003
  160   1HG2  VAL  19          3HG2      VAL  19  -5.119   6.881   4.837
  161   2HG2  VAL  19          2HG2      VAL  19  -3.850   6.699   3.624
  162   3HG2  VAL  19          1HG2      VAL  19  -5.254   7.714   3.290
  163    H    ILE  20           H        ILE  20  -3.991   3.488   2.279
  164    HA   ILE  20           HA       ILE  20  -5.495   1.759   0.782
  165    HB   ILE  20           HB       ILE  20  -2.701   1.219   1.832
  166   1HG1  ILE  20          2HG1      ILE  20  -3.624   2.443  -0.787
  167   2HG1  ILE  20          1HG1      ILE  20  -3.057   3.380   0.595
  168   1HG2  ILE  20          2HG2      ILE  20  -4.396  -0.077  -0.292
  169   2HG2  ILE  20          1HG2      ILE  20  -2.639  -0.051  -0.451
  170   3HG2  ILE  20          3HG2      ILE  20  -3.387  -0.838   0.939
  171   1HD1  ILE  20          1HD1      ILE  20  -1.017   1.631   0.394
  172   2HD1  ILE  20          3HD1      ILE  20  -1.520   1.675  -1.296
  173   3HD1  ILE  20          2HD1      ILE  20  -1.043   3.163  -0.478
  174    H    LEU  21           H        LEU  21  -4.288   1.141   4.044
  175    HA   LEU  21           HA       LEU  21  -4.736  -1.596   4.324
  176   1HB   LEU  21          2HB       LEU  21  -3.830  -0.439   6.186
  177   2HB   LEU  21          1HB       LEU  21  -5.180   0.698   6.234
  178    HG   LEU  21           HG       LEU  21  -6.698  -1.191   6.838
  179   1HD1  LEU  21          3HD1      LEU  21  -5.304  -2.986   5.819
  180   2HD1  LEU  21          2HD1      LEU  21  -4.106  -2.748   7.091
  181   3HD1  LEU  21          1HD1      LEU  21  -5.720  -3.335   7.497
  182   1HD2  LEU  21          3HD2      LEU  21  -4.278  -0.791   8.625
  183   2HD2  LEU  21          2HD2      LEU  21  -5.731   0.209   8.604
  184   3HD2  LEU  21          1HD2      LEU  21  -5.820  -1.465   9.153
  185    H    GLN  22           H        GLN  22  -7.245   0.934   4.835
  186    HA   GLN  22           HA       GLN  22  -9.203  -1.296   4.551
  187   1HB   GLN  22          2HB       GLN  22  -8.988   0.875   6.430
  188   2HB   GLN  22          1HB       GLN  22 -10.536   0.952   5.583
  189   1HG   GLN  22          2HG       GLN  22 -11.286  -1.001   6.496
  190   2HG   GLN  22          1HG       GLN  22  -9.696  -1.769   6.423
  191   1HE2  GLN  22          2HE2      GLN  22 -10.253   0.794   9.599
  192   2HE2  GLN  22          1HE2      GLN  22 -10.786   1.261   8.057
  193    H    ASP  23           H        ASP  23  -9.339   2.270   3.992
  194    HA   ASP  23           HA       ASP  23 -10.631   3.397   2.363
  195   1HB   ASP  23          2HB       ASP  23  -9.868   2.487   0.005
  196   2HB   ASP  23          1HB       ASP  23  -8.723   3.322   1.053
  197    H    LYS  24           H        LYS  24 -10.588   0.502   0.377
  198    HA   LYS  24           HA       LYS  24 -13.455   0.475   0.107
  199   1HB   LYS  24          2HB       LYS  24 -11.463  -1.743  -0.474
  200   2HB   LYS  24          1HB       LYS  24 -13.058  -1.544  -1.204
  201   1HG   LYS  24          2HG       LYS  24 -12.368   0.209  -2.542
  202   2HG   LYS  24          1HG       LYS  24 -11.093   0.697  -1.423
  203   1HD   LYS  24          2HD       LYS  24  -9.970  -0.306  -3.286
  204   2HD   LYS  24          1HD       LYS  24  -9.934  -1.505  -1.996
  205   1HE   LYS  24          2HE       LYS  24 -12.278  -1.558  -3.839
  206   2HE   LYS  24          1HE       LYS  24 -10.736  -2.136  -4.471
  207   1HZ   LYS  24          1HZ       LYS  24 -12.004  -3.072  -1.952
  208   2HZ   LYS  24          3HZ       LYS  24 -12.038  -3.908  -3.429
  209   3HZ   LYS  24          2HZ       LYS  24 -10.559  -3.658  -2.630
  210    HA   PRO  25           HA       PRO  25 -14.315  -2.480   3.420
  211   1HB   PRO  25          2HB       PRO  25 -13.721  -5.146   3.063
  212   2HB   PRO  25          1HB       PRO  25 -15.153  -4.361   2.375
  213   1HG   PRO  25          2HG       PRO  25 -12.631  -5.195   1.018
  214   2HG   PRO  25          1HG       PRO  25 -14.266  -5.038   0.353
  215   1HD   PRO  25          2HD       PRO  25 -12.178  -3.198   0.004
  216   2HD   PRO  25          1HD       PRO  25 -13.898  -2.871  -0.300
  217    H    GLU  26           H        GLU  26 -11.422  -4.293   2.344
  218    HA   GLU  26           HA       GLU  26  -9.710  -3.067   4.365
  219   1HB   GLU  26          2HB       GLU  26  -9.988  -6.033   4.692
  220   2HB   GLU  26          1HB       GLU  26  -9.422  -4.826   5.844
  221   1HG   GLU  26          2HG       GLU  26 -11.701  -4.018   6.176
  222   2HG   GLU  26          1HG       GLU  26 -12.301  -5.117   4.932
  223    H    ALA  27           H        ALA  27  -8.898  -2.774   2.041
  224    HA   ALA  27           HA       ALA  27  -7.585  -5.182   0.975
  225   1HB   ALA  27          2HB       ALA  27  -7.883  -2.339  -0.007
  226   2HB   ALA  27          1HB       ALA  27  -6.742  -3.452  -0.765
  227   3HB   ALA  27          3HB       ALA  27  -8.466  -3.830  -0.754
  228    H    GLN  28           H        GLN  28  -5.627  -5.731   1.803
  229    HA   GLN  28           HA       GLN  28  -4.077  -3.754   3.321
  230   1HB   GLN  28          2HB       GLN  28  -4.361  -6.595   3.327
  231   2HB   GLN  28          1HB       GLN  28  -2.668  -6.223   2.996
  232   1HG   GLN  28          2HG       GLN  28  -2.516  -4.851   4.983
  233   2HG   GLN  28          1HG       GLN  28  -4.252  -4.988   5.265
  234   1HE2  GLN  28          2HE2      GLN  28  -1.980  -8.369   5.904
  235   2HE2  GLN  28          1HE2      GLN  28  -1.520  -7.292   4.675
  236    H    ILE  29           H        ILE  29  -1.583  -3.875   2.900
  237    HA   ILE  29           HA       ILE  29  -0.975  -4.236   0.038
  238    HB   ILE  29           HB       ILE  29  -1.854  -1.936   0.215
  239   1HG1  ILE  29          2HG1      ILE  29   1.092  -1.587  -0.117
  240   2HG1  ILE  29          1HG1      ILE  29   0.280  -2.764  -1.153
  241   1HG2  ILE  29          1HG2      ILE  29  -0.915  -1.796   2.673
  242   2HG2  ILE  29          3HG2      ILE  29   0.538  -1.197   1.873
  243   3HG2  ILE  29          2HG2      ILE  29  -0.993  -0.340   1.681
  244   1HD1  ILE  29          1HD1      ILE  29  -0.568   0.131  -0.821
  245   2HD1  ILE  29          3HD1      ILE  29   0.351  -0.504  -2.184
  246   3HD1  ILE  29          2HD1      ILE  29  -1.300  -1.052  -1.907
  247    H    ILE  30           H        ILE  30   1.016  -5.057  -0.174
  248    HA   ILE  30           HA       ILE  30   2.822  -5.142   2.161
  249    HB   ILE  30           HB       ILE  30   2.665  -6.527  -0.506
  250   1HG1  ILE  30          2HG1      ILE  30   1.548  -7.537   1.423
  251   2HG1  ILE  30          1HG1      ILE  30   2.934  -8.524   0.962
  252   1HG2  ILE  30          3HG2      ILE  30   5.138  -6.075   1.133
  253   2HG2  ILE  30          2HG2      ILE  30   4.925  -7.611   0.293
  254   3HG2  ILE  30          1HG2      ILE  30   4.951  -6.102  -0.622
  255   1HD1  ILE  30          3HD1      ILE  30   4.241  -7.081   2.694
  256   2HD1  ILE  30          2HD1      ILE  30   2.643  -6.668   3.315
  257   3HD1  ILE  30          1HD1      ILE  30   3.174  -8.351   3.293
  258    H    VAL  31           H        VAL  31   4.828  -4.040   2.187
  259    HA   VAL  31           HA       VAL  31   5.214  -2.167  -0.105
  260    HB   VAL  31           HB       VAL  31   4.692  -1.048   2.040
  261   1HG1  VAL  31          1HG1      VAL  31   6.181  -3.067   3.165
  262   2HG1  VAL  31          3HG1      VAL  31   7.301  -1.708   3.240
  263   3HG1  VAL  31          2HG1      VAL  31   5.713  -1.585   3.998
  264   1HG2  VAL  31          2HG2      VAL  31   6.987  -0.616   0.366
  265   2HG2  VAL  31          1HG2      VAL  31   6.015   0.582   1.220
  266   3HG2  VAL  31          3HG2      VAL  31   7.399  -0.164   2.020
  267    H    LEU  32           H        LEU  32   7.090  -2.298  -1.219
  268    HA   LEU  32           HA       LEU  32   9.451  -3.562   0.055
  269   1HB   LEU  32          2HB       LEU  32   9.799  -4.725  -2.268
  270   2HB   LEU  32          1HB       LEU  32   8.768  -5.490  -1.071
  271    HG   LEU  32           HG       LEU  32   7.789  -3.735  -3.310
  272   1HD1  LEU  32          2HD1      LEU  32   8.421  -6.632  -3.050
  273   2HD1  LEU  32          1HD1      LEU  32   6.901  -6.245  -3.852
  274   3HD1  LEU  32          3HD1      LEU  32   8.421  -5.614  -4.488
  275   1HD2  LEU  32          2HD2      LEU  32   6.562  -4.874  -0.924
  276   2HD2  LEU  32          1HD2      LEU  32   5.865  -3.759  -2.100
  277   3HD2  LEU  32          3HD2      LEU  32   5.796  -5.497  -2.383
  278    HA   PRO  33           HA       PRO  33  11.585  -0.537  -2.213
  279   1HB   PRO  33          2HB       PRO  33  13.997  -1.807  -2.588
  280   2HB   PRO  33          1HB       PRO  33  13.476  -1.143  -1.029
  281   1HG   PRO  33          2HG       PRO  33  13.588  -3.991  -1.910
  282   2HG   PRO  33          1HG       PRO  33  13.717  -3.313  -0.278
  283   1HD   PRO  33          2HD       PRO  33  11.416  -4.523  -1.381
  284   2HD   PRO  33          1HD       PRO  33  11.465  -3.534   0.093
  285    H    VAL  34           H        VAL  34  11.910   0.014  -4.403
  286    HA   VAL  34           HA       VAL  34  10.842  -1.791  -6.353
  287    HB   VAL  34           HB       VAL  34  11.430  -0.071  -7.991
  288   1HG1  VAL  34          3HG1      VAL  34  10.129   0.527  -5.422
  289   2HG1  VAL  34          2HG1      VAL  34  10.688   1.964  -6.278
  290   3HG1  VAL  34          1HG1      VAL  34   9.573   0.847  -7.065
  291   1HG2  VAL  34          3HG2      VAL  34  13.702   0.285  -6.572
  292   2HG2  VAL  34          2HG2      VAL  34  13.070   1.507  -7.676
  293   3HG2  VAL  34          1HG2      VAL  34  12.758   1.636  -5.945
  294    H    GLY  35           H        GLY  35  13.824  -1.927  -4.882
  295   1HA   GLY  35          2HA       GLY  35  15.657  -2.373  -6.988
  296   2HA   GLY  35          1HA       GLY  35  15.768  -3.128  -5.398
  297    H    THR  36           H        THR  36  16.505  -5.093  -6.496
  298    HA   THR  36           HA       THR  36  15.273  -6.516  -8.525
  299    HB   THR  36           HB       THR  36  15.857  -8.565  -6.846
  300    HG1  THR  36           HG1      THR  36  16.254  -7.043  -5.151
  301   1HG2  THR  36          1HG2      THR  36  17.448  -6.834  -8.673
  302   2HG2  THR  36          3HG2      THR  36  18.349  -7.959  -7.655
  303   3HG2  THR  36          2HG2      THR  36  17.121  -8.565  -8.765
  304    H    ILE  37           H        ILE  37  13.530  -8.001  -8.662
  305    HA   ILE  37           HA       ILE  37  11.584  -7.833  -6.393
  306    HB   ILE  37           HB       ILE  37  11.048  -8.111  -9.366
  307   1HG1  ILE  37          2HG1      ILE  37   9.745  -5.884  -8.165
  308   2HG1  ILE  37          1HG1      ILE  37  11.434  -5.838  -7.657
  309   1HG2  ILE  37          3HG2      ILE  37   9.321  -8.331  -6.923
  310   2HG2  ILE  37          2HG2      ILE  37   8.639  -7.639  -8.395
  311   3HG2  ILE  37          1HG2      ILE  37   9.279  -9.282  -8.408
  312   1HD1  ILE  37          3HD1      ILE  37  11.519  -6.540 -10.373
  313   2HD1  ILE  37          2HD1      ILE  37  10.296  -5.272 -10.268
  314   3HD1  ILE  37          1HD1      ILE  37  11.931  -4.972  -9.678
  315    H    VAL  38           H        VAL  38  11.330  -9.913  -9.231
  316    HA   VAL  38           HA       VAL  38  11.254 -12.258  -7.425
  317    HB   VAL  38           HB       VAL  38  10.760 -12.265 -10.407
  318   1HG1  VAL  38          3HG1      VAL  38  10.925 -14.320  -8.664
  319   2HG1  VAL  38          2HG1      VAL  38   9.225 -13.900  -8.454
  320   3HG1  VAL  38          1HG1      VAL  38   9.834 -14.333 -10.051
  321   1HG2  VAL  38          2HG2      VAL  38   8.997 -11.319  -8.153
  322   2HG2  VAL  38          1HG2      VAL  38   9.248 -10.592  -9.740
  323   3HG2  VAL  38          3HG2      VAL  38   8.285 -12.062  -9.586
  324    H    THR  39           H        THR  39  12.844 -11.325 -10.499
  325    HA   THR  39           HA       THR  39  15.023 -13.251  -9.793
  326    HB   THR  39           HB       THR  39  14.041 -14.051 -11.799
  327    HG1  THR  39           HG1      THR  39  15.639 -13.491 -13.384
  328   1HG2  THR  39          3HG2      THR  39  13.965 -11.144 -12.644
  329   2HG2  THR  39          2HG2      THR  39  13.606 -12.487 -13.730
  330   3HG2  THR  39          1HG2      THR  39  12.588 -12.198 -12.320
  331   1H    GLU  41          3H        GLU  41  -8.100  -9.632  -7.170
  332   2H    GLU  41          2H        GLU  41  -7.473 -10.980  -7.993
  333   3H    GLU  41          1H        GLU  41  -7.051  -9.409  -8.485
  334    HA   GLU  41           HA       GLU  41  -8.728  -9.417  -9.900
  335   1HB   GLU  41          2HB       GLU  41  -8.432 -12.001  -9.505
  336   2HB   GLU  41          1HB       GLU  41  -9.984 -11.852  -8.686
  337   1HG   GLU  41          2HG       GLU  41 -10.797 -10.624 -10.790
  338   2HG   GLU  41          1HG       GLU  41  -9.333 -11.228 -11.567
  339    H    TYR  42           H        TYR  42 -10.452 -10.899  -7.207
  340    HA   TYR  42           HA       TYR  42 -12.627  -9.007  -7.418
  341   1HB   TYR  42          2HB       TYR  42 -13.209 -10.081  -5.085
  342   2HB   TYR  42          1HB       TYR  42 -13.358 -11.041  -6.553
  343    HD1  TYR  42           HD1      TYR  42 -10.137 -10.073  -4.935
  344    HD2  TYR  42           HD2      TYR  42 -12.991 -13.189  -5.666
  345    HE1  TYR  42           HE1      TYR  42  -8.540 -11.729  -4.033
  346    HE2  TYR  42           HE2      TYR  42 -11.397 -14.858  -4.767
  347    HH   TYR  42           HH       TYR  42  -9.005 -14.286  -2.882
  348    H    ARG  43           H        ARG  43 -11.846  -9.364  -4.106
  349    HA   ARG  43           HA       ARG  43 -10.808  -6.560  -4.082
  350   1HB   ARG  43          2HB       ARG  43 -11.952  -6.179  -2.049
  351   2HB   ARG  43          1HB       ARG  43 -13.108  -7.100  -3.010
  352   1HG   ARG  43          2HG       ARG  43 -11.911  -9.168  -1.842
  353   2HG   ARG  43          1HG       ARG  43 -11.512  -7.958  -0.623
  354   1HD   ARG  43          2HD       ARG  43 -14.197  -7.472  -1.181
  355   2HD   ARG  43          1HD       ARG  43 -14.078  -9.231  -1.192
  356    HE   ARG  43           HE       ARG  43 -12.709  -8.122   1.097
  357   1HH1  ARG  43          1HH2      ARG  43 -14.132 -10.515   1.624
  358   2HH1  ARG  43          2HH2      ARG  43 -15.629 -10.009   2.335
  359   1HH2  ARG  43          2HH1      ARG  43 -15.362  -6.738   1.213
  360   2HH2  ARG  43          1HH1      ARG  43 -16.324  -7.869   2.104
  361    H    ILE  44           H        ILE  44  -8.977  -8.658  -4.465
  362    HA   ILE  44           HA       ILE  44  -7.871  -9.938  -2.277
  363    HB   ILE  44           HB       ILE  44  -6.791 -10.108  -4.457
  364   1HG1  ILE  44          2HG1      ILE  44  -4.491  -8.911  -3.198
  365   2HG1  ILE  44          1HG1      ILE  44  -5.494  -9.679  -1.962
  366   1HG2  ILE  44          3HG2      ILE  44  -7.187  -7.729  -5.123
  367   2HG2  ILE  44          2HG2      ILE  44  -5.922  -7.237  -3.997
  368   3HG2  ILE  44          1HG2      ILE  44  -5.520  -8.239  -5.390
  369   1HD1  ILE  44          2HD1      ILE  44  -5.038 -11.197  -4.491
  370   2HD1  ILE  44          1HD1      ILE  44  -3.680 -11.061  -3.374
  371   3HD1  ILE  44          3HD1      ILE  44  -5.194 -11.787  -2.837
  372    H    ASP  45           H        ASP  45  -6.656  -9.326  -0.489
  373    HA   ASP  45           HA       ASP  45  -6.703  -6.412   0.042
  374   1HB   ASP  45          2HB       ASP  45  -6.870  -6.937   2.336
  375   2HB   ASP  45          1HB       ASP  45  -7.807  -8.207   1.550
  376    H    ARG  46           H        ARG  46  -4.695  -7.154  -1.676
  377    HA   ARG  46           HA       ARG  46  -2.321  -6.511  -0.053
  378   1HB   ARG  46          2HB       ARG  46  -2.626  -9.090  -0.298
  379   2HB   ARG  46          1HB       ARG  46  -2.120  -8.827  -1.967
  380   1HG   ARG  46          2HG       ARG  46  -0.123  -7.542  -0.988
  381   2HG   ARG  46          1HG       ARG  46  -0.570  -8.262   0.561
  382   1HD   ARG  46          2HD       ARG  46  -0.526 -10.202  -1.633
  383   2HD   ARG  46          1HD       ARG  46   1.046  -9.449  -1.346
  384    HE   ARG  46           HE       ARG  46  -0.189 -10.304   1.133
  385   1HH1  ARG  46          2HH1      ARG  46   0.954 -11.750  -1.743
  386   2HH1  ARG  46          1HH1      ARG  46   1.935 -12.927  -0.936
  387   1HH2  ARG  46          1HH2      ARG  46   1.333 -11.646   2.230
  388   2HH2  ARG  46          2HH2      ARG  46   2.148 -12.869   1.314
  389    H    VAL  47           H        VAL  47  -0.680  -5.515  -1.272
  390    HA   VAL  47           HA       VAL  47  -0.976  -5.295  -4.195
  391    HB   VAL  47           HB       VAL  47  -1.102  -2.849  -2.402
  392   1HG1  VAL  47          1HG1      VAL  47  -0.862  -3.289  -5.368
  393   2HG1  VAL  47          3HG1      VAL  47  -1.671  -1.853  -4.745
  394   3HG1  VAL  47          2HG1      VAL  47   0.019  -2.158  -4.340
  395   1HG2  VAL  47          3HG2      VAL  47  -3.155  -4.367  -4.007
  396   2HG2  VAL  47          2HG2      VAL  47  -3.261  -3.805  -2.339
  397   3HG2  VAL  47          1HG2      VAL  47  -3.360  -2.649  -3.667
  398    H    ARG  48           H        ARG  48   1.012  -4.402  -5.174
  399    HA   ARG  48           HA       ARG  48   3.344  -4.912  -3.441
  400   1HB   ARG  48          2HB       ARG  48   2.999  -4.435  -6.396
  401   2HB   ARG  48          1HB       ARG  48   4.597  -4.407  -5.650
  402   1HG   ARG  48          2HG       ARG  48   2.620  -6.711  -5.673
  403   2HG   ARG  48          1HG       ARG  48   4.206  -6.660  -6.441
  404   1HD   ARG  48          2HD       ARG  48   4.977  -6.128  -3.931
  405   2HD   ARG  48          1HD       ARG  48   3.504  -7.023  -3.561
  406    HE   ARG  48           HE       ARG  48   5.219  -8.369  -5.507
  407   1HH1  ARG  48          1HH2      ARG  48   3.625 -10.059  -3.818
  408   2HH1  ARG  48          2HH2      ARG  48   4.702 -10.551  -2.554
  409   1HH2  ARG  48          1HH1      ARG  48   6.613  -9.406  -2.189
  410   2HH2  ARG  48          2HH1      ARG  48   7.005  -8.036  -3.172
  411    H    LEU  49           H        LEU  49   2.585  -2.817  -2.209
  412    HA   LEU  49           HA       LEU  49   2.999  -0.259  -3.396
  413   1HB   LEU  49          2HB       LEU  49   1.913  -0.344  -1.247
  414   2HB   LEU  49          1HB       LEU  49   3.294  -1.162  -0.520
  415    HG   LEU  49           HG       LEU  49   4.631   0.767  -0.570
  416   1HD1  LEU  49          1HD1      LEU  49   2.826   1.555  -2.824
  417   2HD1  LEU  49          3HD1      LEU  49   3.611   2.838  -1.906
  418   3HD1  LEU  49          2HD1      LEU  49   4.587   1.617  -2.727
  419   1HD2  LEU  49          3HD2      LEU  49   1.823   1.164   0.212
  420   2HD2  LEU  49          2HD2      LEU  49   3.300   1.537   1.100
  421   3HD2  LEU  49          1HD2      LEU  49   2.687   2.669  -0.107
  422    H    PHE  50           H        PHE  50   4.908  -0.376  -4.656
  423    HA   PHE  50           HA       PHE  50   7.467  -1.125  -3.474
  424   1HB   PHE  50          2HB       PHE  50   6.496   0.017  -6.069
  425   2HB   PHE  50          1HB       PHE  50   8.218   0.156  -5.684
  426    HD1  PHE  50           HD1      PHE  50   6.213  -2.622  -4.389
  427    HD2  PHE  50           HD2      PHE  50   8.841  -1.346  -7.532
  428    HE1  PHE  50           HE1      PHE  50   6.488  -4.964  -5.104
  429    HE2  PHE  50           HE2      PHE  50   9.131  -3.701  -8.243
  430    HZ   PHE  50           HZ       PHE  50   7.953  -5.518  -7.032
  431    H    VAL  51           H        VAL  51   9.228   0.474  -3.086
  432    HA   VAL  51           HA       VAL  51   8.156   3.216  -2.548
  433    HB   VAL  51           HB       VAL  51  10.046   3.227  -0.752
  434   1HG1  VAL  51          1HG1      VAL  51   7.433   3.038  -0.534
  435   2HG1  VAL  51          3HG1      VAL  51   7.781   1.368  -0.087
  436   3HG1  VAL  51          2HG1      VAL  51   8.451   2.693   0.864
  437   1HG2  VAL  51          1HG2      VAL  51  11.061   1.087  -1.486
  438   2HG2  VAL  51          3HG2      VAL  51  10.514   1.001   0.188
  439   3HG2  VAL  51          2HG2      VAL  51   9.561   0.250  -1.089
  440    H    ASP  52           H        ASP  52  10.180   4.783  -2.264
  441    HA   ASP  52           HA       ASP  52  11.921   4.256  -4.627
  442   1HB   ASP  52          2HB       ASP  52  11.815   6.488  -5.193
  443   2HB   ASP  52          1HB       ASP  52  10.265   6.337  -4.377
  444    H    LYS  53           H        LYS  53  13.721   6.424  -3.935
  445    HA   LYS  53           HA       LYS  53  15.619   4.989  -2.344
  446   1HB   LYS  53          2HB       LYS  53  15.649   7.947  -2.860
  447   2HB   LYS  53          1HB       LYS  53  17.020   6.835  -2.806
  448   1HG   LYS  53          2HG       LYS  53  15.555   5.739  -4.824
  449   2HG   LYS  53          1HG       LYS  53  15.136   7.440  -5.019
  450   1HD   LYS  53          2HD       LYS  53  17.064   7.486  -6.251
  451   2HD   LYS  53          1HD       LYS  53  17.825   7.651  -4.667
  452   1HE   LYS  53          2HE       LYS  53  18.135   5.219  -4.541
  453   2HE   LYS  53          1HE       LYS  53  17.330   5.023  -6.098
  454   1HZ   LYS  53          3HZ       LYS  53  19.261   6.880  -6.578
  455   2HZ   LYS  53          2HZ       LYS  53  20.026   5.788  -5.525
  456   3HZ   LYS  53          1HZ       LYS  53  19.343   5.236  -6.980
  457    H    LEU  54           H        LEU  54  13.795   8.010  -1.709
  458    HA   LEU  54           HA       LEU  54  14.427   7.744   1.180
  459   1HB   LEU  54          2HB       LEU  54  13.138   9.956  -0.442
  460   2HB   LEU  54          1HB       LEU  54  13.340  10.018   1.309
  461    HG   LEU  54           HG       LEU  54  15.210  11.183   0.310
  462   1HD1  LEU  54          1HD1      LEU  54  15.463   9.107   2.087
  463   2HD1  LEU  54          3HD1      LEU  54  16.622   8.648   0.840
  464   3HD1  LEU  54          2HD1      LEU  54  16.769  10.209   1.649
  465   1HD2  LEU  54          1HD2      LEU  54  14.878   9.788  -1.893
  466   2HD2  LEU  54          3HD2      LEU  54  16.492  10.363  -1.471
  467   3HD2  LEU  54          2HD2      LEU  54  16.040   8.688  -1.153
  468    H    ASP  55           H        ASP  55  12.662   5.780   0.179
  469    HA   ASP  55           HA       ASP  55  10.494   4.907   0.470
  470   1HB   ASP  55          2HB       ASP  55   9.670   6.361   2.789
  471   2HB   ASP  55          1HB       ASP  55  10.268   4.704   2.699
  472    H    ASN  56           H        ASN  56  10.095   6.466  -1.478
  473    HA   ASN  56           HA       ASN  56   7.798   8.216  -0.744
  474   1HB   ASN  56          2HB       ASN  56   9.503   9.789  -1.301
  475   2HB   ASN  56          1HB       ASN  56  10.050   8.819  -2.669
  476   1HD2  ASN  56          2HD2      ASN  56   7.840  10.386  -4.899
  477   2HD2  ASN  56          1HD2      ASN  56   9.250   9.471  -4.665
  478    H    ILE  57           H        ILE  57   6.148   7.056  -1.421
  479    HA   ILE  57           HA       ILE  57   5.932   5.025  -3.216
  480    HB   ILE  57           HB       ILE  57   3.871   7.233  -3.147
  481   1HG1  ILE  57          2HG1      ILE  57   4.429   6.805  -0.842
  482   2HG1  ILE  57          1HG1      ILE  57   2.954   5.902  -1.181
  483   1HG2  ILE  57          2HG2      ILE  57   3.837   4.248  -3.627
  484   2HG2  ILE  57          1HG2      ILE  57   2.373   5.163  -3.274
  485   3HG2  ILE  57          3HG2      ILE  57   3.311   5.524  -4.723
  486   1HD1  ILE  57          3HD1      ILE  57   4.951   4.128  -1.912
  487   2HD1  ILE  57          2HD1      ILE  57   5.613   4.908  -0.474
  488   3HD1  ILE  57          1HD1      ILE  57   4.051   4.092  -0.396
  489    H    ALA  58           H        ALA  58   7.349   5.256  -4.960
  490    HA   ALA  58           HA       ALA  58   6.904   7.443  -6.900
  491   1HB   ALA  58          2HB       ALA  58   9.174   6.167  -6.232
  492   2HB   ALA  58          1HB       ALA  58   8.651   5.102  -7.537
  493   3HB   ALA  58          3HB       ALA  58   8.919   6.816  -7.851
  494    H    GLN  59           H        GLN  59   6.115   4.096  -6.361
  495    HA   GLN  59           HA       GLN  59   4.741   3.989  -9.016
  496   1HB   GLN  59          2HB       GLN  59   6.384   2.189  -8.763
  497   2HB   GLN  59          1HB       GLN  59   5.685   1.739  -7.206
  498   1HG   GLN  59          2HG       GLN  59   4.519   0.243  -8.486
  499   2HG   GLN  59          1HG       GLN  59   3.464   1.633  -8.749
  500   1HE2  GLN  59          2HE2      GLN  59   5.667   0.166 -11.832
  501   2HE2  GLN  59          1HE2      GLN  59   5.765  -0.515 -10.280
  502    H    VAL  60           H        VAL  60   2.495   3.746  -8.969
  503    HA   VAL  60           HA       VAL  60   1.241   3.965  -6.314
  504    HB   VAL  60           HB       VAL  60   0.173   4.181  -9.130
  505   1HG1  VAL  60          3HG1      VAL  60  -1.232   3.564  -6.645
  506   2HG1  VAL  60          2HG1      VAL  60  -1.800   5.072  -7.368
  507   3HG1  VAL  60          1HG1      VAL  60  -1.841   3.576  -8.300
  508   1HG2  VAL  60          2HG2      VAL  60   1.338   5.991  -7.274
  509   2HG2  VAL  60          1HG2      VAL  60   0.606   6.369  -8.833
  510   3HG2  VAL  60          3HG2      VAL  60  -0.379   6.383  -7.370
  511    HA   PRO  61           HA       PRO  61   0.216  -0.384  -6.375
  512   1HB   PRO  61          2HB       PRO  61  -1.029  -0.361  -3.928
  513   2HB   PRO  61          1HB       PRO  61   0.731  -0.408  -4.122
  514   1HG   PRO  61          2HG       PRO  61  -1.014   1.861  -3.295
  515   2HG   PRO  61          1HG       PRO  61   0.689   1.558  -2.911
  516   1HD   PRO  61          2HD       PRO  61  -0.277   3.376  -4.852
  517   2HD   PRO  61          1HD       PRO  61   1.403   2.820  -4.682
  518    H    ARG  62           H        ARG  62  -1.862  -1.587  -6.511
  519    HA   ARG  62           HA       ARG  62  -4.315   0.083  -6.472
  520   1HB   ARG  62          2HB       ARG  62  -2.911  -0.537  -8.836
  521   2HB   ARG  62          1HB       ARG  62  -4.334  -1.576  -8.828
  522   1HG   ARG  62          2HG       ARG  62  -5.178   0.357  -9.821
  523   2HG   ARG  62          1HG       ARG  62  -5.582   0.631  -8.126
  524   1HD   ARG  62          2HD       ARG  62  -4.514   2.631  -8.498
  525   2HD   ARG  62          1HD       ARG  62  -3.076   1.668  -8.180
  526    HE   ARG  62           HE       ARG  62  -2.791   1.460 -10.640
  527   1HH1  ARG  62          1HH2      ARG  62  -4.839   2.058 -12.255
  528   2HH1  ARG  62          2HH2      ARG  62  -4.916   3.778 -12.438
  529   1HH2  ARG  62          2HH1      ARG  62  -2.976   4.430  -9.639
  530   2HH2  ARG  62          1HH1      ARG  62  -3.868   5.120 -10.953
  531    H    VAL  63           H        VAL  63  -6.174  -1.088  -6.015
  532    HA   VAL  63           HA       VAL  63  -5.906  -4.057  -5.790
  533    HB   VAL  63           HB       VAL  63  -6.491  -2.071  -3.702
  534   1HG1  VAL  63          3HG1      VAL  63  -8.397  -4.378  -4.149
  535   2HG1  VAL  63          2HG1      VAL  63  -8.153  -3.662  -2.558
  536   3HG1  VAL  63          1HG1      VAL  63  -8.793  -2.681  -3.874
  537   1HG2  VAL  63          3HG2      VAL  63  -5.023  -4.455  -4.055
  538   2HG2  VAL  63          2HG2      VAL  63  -5.113  -3.464  -2.599
  539   3HG2  VAL  63          1HG2      VAL  63  -6.231  -4.810  -2.820
  540    H    GLY  64           H        GLY  64  -7.336  -4.879  -7.251
  541   1HA   GLY  64          2HA       GLY  64  -9.580  -3.322  -8.245
  542   2HA   GLY  64          1HA       GLY  64  -9.226  -5.001  -8.659
   
  No H/Q in entry =         542
  Start of MODEL          11
 Raw file had  552 H/Q atoms
  Start of MODEL   11
    1   1H    MET   1          2H        MET   1 -14.482   3.970  -2.774
    2   2H    MET   1          1H        MET   1 -15.765   2.885  -2.523
    3   3H    MET   1          3H        MET   1 -14.284   2.642  -1.732
    4    HA   MET   1           HA       MET   1 -14.207   1.111  -3.453
    5   1HB   MET   1          2HB       MET   1 -14.723   2.021  -5.846
    6   2HB   MET   1          1HB       MET   1 -16.072   1.638  -4.777
    7   1HG   MET   1          2HG       MET   1 -16.642   3.841  -4.481
    8   2HG   MET   1          1HG       MET   1 -14.970   4.395  -4.584
    9   1HE   MET   1          2HE       MET   1 -14.831   6.068  -5.800
   10   2HE   MET   1          1HE       MET   1 -15.070   6.266  -7.534
   11   3HE   MET   1          3HE       MET   1 -16.421   6.512  -6.418
   12    H    LYS   2           H        LYS   2 -12.253   2.799  -2.305
   13    HA   LYS   2           HA       LYS   2 -10.690   4.023  -4.456
   14   1HB   LYS   2          2HB       LYS   2 -10.584   4.981  -2.208
   15   2HB   LYS   2          1HB       LYS   2 -10.009   3.446  -1.557
   16   1HG   LYS   2          2HG       LYS   2  -7.958   4.416  -1.873
   17   2HG   LYS   2          1HG       LYS   2  -8.179   3.808  -3.511
   18   1HD   LYS   2          2HD       LYS   2  -7.500   6.213  -3.443
   19   2HD   LYS   2          1HD       LYS   2  -9.050   5.955  -4.245
   20   1HE   LYS   2          2HE       LYS   2  -9.220   6.395  -1.328
   21   2HE   LYS   2          1HE       LYS   2  -8.651   7.782  -2.256
   22   1HZ   LYS   2          3HZ       LYS   2 -10.816   6.552  -3.586
   23   2HZ   LYS   2          2HZ       LYS   2 -11.260   6.891  -1.981
   24   3HZ   LYS   2          1HZ       LYS   2 -10.695   8.136  -2.991
   25    H    THR   3           H        THR   3 -10.252   2.270  -5.888
   26    HA   THR   3           HA       THR   3  -8.827  -0.088  -4.811
   27    HB   THR   3           HB       THR   3  -8.751  -0.541  -7.428
   28    HG1  THR   3           HG1      THR   3 -10.571   0.474  -8.397
   29   1HG2  THR   3          1HG2      THR   3 -10.163  -1.606  -5.509
   30   2HG2  THR   3          3HG2      THR   3 -11.472  -0.616  -6.152
   31   3HG2  THR   3          2HG2      THR   3 -10.695  -1.824  -7.175
   32    H    GLU   4           H        GLU   4  -8.227   2.608  -7.076
   33    HA   GLU   4           HA       GLU   4  -5.352   1.912  -7.153
   34   1HB   GLU   4          2HB       GLU   4  -6.502   4.427  -8.340
   35   2HB   GLU   4          1HB       GLU   4  -5.152   3.445  -8.907
   36   1HG   GLU   4          2HG       GLU   4  -6.714   2.710 -10.423
   37   2HG   GLU   4          1HG       GLU   4  -7.124   1.611  -9.106
   38    H    TRP   5           H        TRP   5  -3.807   3.742  -6.797
   39    HA   TRP   5           HA       TRP   5  -4.748   5.713  -4.792
   40   1HB   TRP   5          2HB       TRP   5  -2.423   3.800  -4.413
   41   2HB   TRP   5          1HB       TRP   5  -2.730   5.198  -3.383
   42    HD1  TRP   5           HD1      TRP   5  -5.080   5.187  -2.001
   43    HE1  TRP   5           HE1      TRP   5  -6.403   3.205  -1.026
   44    HE3  TRP   5           HE3      TRP   5  -3.113   1.340  -4.762
   45    HZ2  TRP   5           HZ2      TRP   5  -6.599   0.379  -1.354
   46    HZ3  TRP   5           HZ3      TRP   5  -3.888  -0.978  -4.389
   47    HH2  TRP   5           HH2      TRP   5  -5.616  -1.460  -2.692
   48    HA   PRO   6           HA       PRO   6  -1.484   6.975  -7.971
   49   1HB   PRO   6          2HB       PRO   6  -3.102   8.459  -9.643
   50   2HB   PRO   6          1HB       PRO   6  -2.697   6.756  -9.931
   51   1HG   PRO   6          2HG       PRO   6  -5.232   7.936  -8.855
   52   2HG   PRO   6          1HG       PRO   6  -5.001   6.475  -9.832
   53   1HD   PRO   6          2HD       PRO   6  -5.445   6.460  -7.076
   54   2HD   PRO   6          1HD       PRO   6  -4.669   5.143  -7.984
   55    H    GLU   7           H        GLU   7  -4.204   8.394  -6.412
   56    HA   GLU   7           HA       GLU   7  -3.217  11.133  -6.373
   57   1HB   GLU   7          2HB       GLU   7  -5.498   9.696  -5.350
   58   2HB   GLU   7          1HB       GLU   7  -4.776  10.649  -4.053
   59   1HG   GLU   7          2HG       GLU   7  -4.750  12.613  -5.678
   60   2HG   GLU   7          1HG       GLU   7  -5.764  11.634  -6.741
   61    H    LEU   8           H        LEU   8  -2.486   8.214  -4.699
   62    HA   LEU   8           HA       LEU   8  -1.290   9.529  -2.383
   63   1HB   LEU   8          2HB       LEU   8  -1.707   7.494  -1.513
   64   2HB   LEU   8          1HB       LEU   8  -2.107   6.872  -3.104
   65    HG   LEU   8           HG       LEU   8   0.770   7.146  -2.250
   66   1HD1  LEU   8          2HD1      LEU   8  -1.266   5.307  -1.210
   67   2HD1  LEU   8          1HD1      LEU   8   0.142   4.487  -1.886
   68   3HD1  LEU   8          3HD1      LEU   8   0.345   5.668  -0.590
   69   1HD2  LEU   8          3HD2      LEU   8   0.149   6.690  -4.642
   70   2HD2  LEU   8          2HD2      LEU   8   1.098   5.395  -3.909
   71   3HD2  LEU   8          1HD2      LEU   8  -0.645   5.209  -4.106
   72    H    VAL   9           H        VAL   9  -0.372   9.028  -5.564
   73    HA   VAL   9           HA       VAL   9   2.313   8.296  -5.492
   74    HB   VAL   9           HB       VAL   9   0.873  10.337  -7.190
   75   1HG1  VAL   9          1HG1      VAL   9   3.322  10.971  -6.901
   76   2HG1  VAL   9          3HG1      VAL   9   3.731   9.403  -7.605
   77   3HG1  VAL   9          2HG1      VAL   9   2.848  10.593  -8.560
   78   1HG2  VAL   9          1HG2      VAL   9   1.872   7.515  -7.491
   79   2HG2  VAL   9          3HG2      VAL   9   0.261   8.157  -7.812
   80   3HG2  VAL   9          2HG2      VAL   9   1.591   8.519  -8.914
   81    H    GLY  10           H        GLY  10   4.266   9.503  -5.358
   82   1HA   GLY  10          2HA       GLY  10   5.696  11.114  -4.460
   83   2HA   GLY  10          1HA       GLY  10   4.365  12.254  -4.624
   84    H    LYS  11           H        LYS  11   3.216   9.716  -2.767
   85    HA   LYS  11           HA       LYS  11   3.629  11.331  -0.318
   86   1HB   LYS  11          2HB       LYS  11   1.371  10.208  -1.214
   87   2HB   LYS  11          1HB       LYS  11   1.994   8.829  -0.303
   88   1HG   LYS  11          2HG       LYS  11   0.711  10.022   1.284
   89   2HG   LYS  11          1HG       LYS  11   2.371  10.517   1.620
   90   1HD   LYS  11          2HD       LYS  11   1.515  12.299  -0.354
   91   2HD   LYS  11          1HD       LYS  11   0.118  12.127   0.709
   92   1HE   LYS  11          2HE       LYS  11   2.411  12.305   2.379
   93   2HE   LYS  11          1HE       LYS  11   2.549  13.586   1.176
   94   1HZ   LYS  11          2HZ       LYS  11   0.058  13.074   2.697
   95   2HZ   LYS  11          1HZ       LYS  11   1.256  14.152   3.235
   96   3HZ   LYS  11          3HZ       LYS  11   0.454  14.443   1.769
   97    H    SER  12           H        SER  12   3.136   8.760   1.273
   98    HA   SER  12           HA       SER  12   5.748   7.416   0.867
   99   1HB   SER  12          2HB       SER  12   5.232   9.367   2.913
  100   2HB   SER  12          1HB       SER  12   5.477   7.790   3.664
  101    HG   SER  12           HG       SER  12   7.178   8.611   1.591
  102    H    VAL  13           H        VAL  13   5.933   5.492   2.362
  103    HA   VAL  13           HA       VAL  13   3.807   3.704   2.050
  104    HB   VAL  13           HB       VAL  13   5.949   3.770   4.192
  105   1HG1  VAL  13          1HG1      VAL  13   3.873   1.715   3.452
  106   2HG1  VAL  13          3HG1      VAL  13   5.421   1.222   4.139
  107   3HG1  VAL  13          2HG1      VAL  13   4.347   2.280   5.055
  108   1HG2  VAL  13          1HG2      VAL  13   5.722   2.297   1.547
  109   2HG2  VAL  13          3HG2      VAL  13   6.792   3.659   1.879
  110   3HG2  VAL  13          2HG2      VAL  13   7.043   2.118   2.701
  111    H    GLU  14           H        GLU  14   4.502   5.842   4.807
  112    HA   GLU  14           HA       GLU  14   2.662   4.968   6.681
  113   1HB   GLU  14          2HB       GLU  14   2.273   7.539   7.092
  114   2HB   GLU  14          1HB       GLU  14   3.862   6.836   7.387
  115   1HG   GLU  14          2HG       GLU  14   3.663   7.577   4.613
  116   2HG   GLU  14          1HG       GLU  14   3.210   8.955   5.614
  117    H    GLU  15           H        GLU  15   1.787   7.599   4.400
  118    HA   GLU  15           HA       GLU  15  -1.021   7.336   4.778
  119   1HB   GLU  15          2HB       GLU  15   0.654   8.990   3.293
  120   2HB   GLU  15          1HB       GLU  15  -0.267   8.127   2.060
  121   1HG   GLU  15          2HG       GLU  15  -2.002   9.500   2.467
  122   2HG   GLU  15          1HG       GLU  15  -2.118   8.807   4.084
  123    H    ALA  16           H        ALA  16   1.209   5.577   2.682
  124    HA   ALA  16           HA       ALA  16  -0.780   4.377   0.997
  125   1HB   ALA  16          3HB       ALA  16   2.064   4.049   1.502
  126   2HB   ALA  16          2HB       ALA  16   1.272   2.490   1.280
  127   3HB   ALA  16          1HB       ALA  16   1.149   3.728   0.029
  128    H    LYS  17           H        LYS  17   1.129   2.340   3.188
  129    HA   LYS  17           HA       LYS  17  -0.754   0.323   3.543
  130   1HB   LYS  17          2HB       LYS  17   1.691   0.970   4.694
  131   2HB   LYS  17          1HB       LYS  17   0.584   0.978   6.066
  132   1HG   LYS  17          2HG       LYS  17   0.331  -1.275   4.135
  133   2HG   LYS  17          1HG       LYS  17   1.745  -1.276   5.188
  134   1HD   LYS  17          2HD       LYS  17  -0.579  -0.574   6.729
  135   2HD   LYS  17          1HD       LYS  17  -0.899  -2.068   5.845
  136   1HE   LYS  17          2HE       LYS  17   0.689  -3.250   6.995
  137   2HE   LYS  17          1HE       LYS  17   1.773  -1.865   7.124
  138   1HZ   LYS  17          1HZ       LYS  17  -0.759  -1.793   8.594
  139   2HZ   LYS  17          3HZ       LYS  17   0.488  -2.770   9.199
  140   3HZ   LYS  17          2HZ       LYS  17   0.742  -1.104   8.990
  141    H    LYS  18           H        LYS  18  -0.581   3.426   5.140
  142    HA   LYS  18           HA       LYS  18  -2.437   3.111   7.222
  143   1HB   LYS  18          2HB       LYS  18  -1.146   5.127   7.047
  144   2HB   LYS  18          1HB       LYS  18  -1.813   5.484   5.450
  145   1HG   LYS  18          2HG       LYS  18  -4.036   5.807   6.421
  146   2HG   LYS  18          1HG       LYS  18  -3.432   5.357   8.016
  147   1HD   LYS  18          2HD       LYS  18  -1.996   7.292   8.102
  148   2HD   LYS  18          1HD       LYS  18  -2.344   7.690   6.418
  149   1HE   LYS  18          2HE       LYS  18  -3.933   9.060   7.297
  150   2HE   LYS  18          1HE       LYS  18  -4.868   7.576   7.480
  151   1HZ   LYS  18          1HZ       LYS  18  -2.985   8.036   9.605
  152   2HZ   LYS  18          3HZ       LYS  18  -4.178   9.236   9.492
  153   3HZ   LYS  18          2HZ       LYS  18  -4.627   7.608   9.681
  154    H    VAL  19           H        VAL  19  -3.319   4.926   4.308
  155    HA   VAL  19           HA       VAL  19  -6.135   4.441   4.701
  156    HB   VAL  19           HB       VAL  19  -5.043   5.277   2.037
  157   1HG1  VAL  19          2HG1      VAL  19  -7.535   5.161   2.927
  158   2HG1  VAL  19          1HG1      VAL  19  -7.115   6.711   3.659
  159   3HG1  VAL  19          3HG1      VAL  19  -7.009   6.504   1.910
  160   1HG2  VAL  19          3HG2      VAL  19  -4.414   6.529   4.636
  161   2HG2  VAL  19          2HG2      VAL  19  -3.632   6.745   3.072
  162   3HG2  VAL  19          1HG2      VAL  19  -5.107   7.637   3.452
  163    H    ILE  20           H        ILE  20  -3.813   3.121   2.320
  164    HA   ILE  20           HA       ILE  20  -5.615   1.576   0.826
  165    HB   ILE  20           HB       ILE  20  -2.720   1.121   1.565
  166   1HG1  ILE  20          2HG1      ILE  20  -3.394   1.363  -1.240
  167   2HG1  ILE  20          1HG1      ILE  20  -4.084   2.709  -0.331
  168   1HG2  ILE  20          2HG2      ILE  20  -4.647  -0.703   0.207
  169   2HG2  ILE  20          1HG2      ILE  20  -3.056  -0.533  -0.535
  170   3HG2  ILE  20          3HG2      ILE  20  -3.196  -1.089   1.133
  171   1HD1  ILE  20          1HD1      ILE  20  -1.409   2.176   0.602
  172   2HD1  ILE  20          3HD1      ILE  20  -1.396   2.391  -1.148
  173   3HD1  ILE  20          2HD1      ILE  20  -2.058   3.653  -0.110
  174    H    LEU  21           H        LEU  21  -3.824   0.560   3.769
  175    HA   LEU  21           HA       LEU  21  -4.635  -2.040   4.084
  176   1HB   LEU  21          2HB       LEU  21  -3.295  -0.902   5.774
  177   2HB   LEU  21          1HB       LEU  21  -4.676   0.101   6.228
  178    HG   LEU  21           HG       LEU  21  -5.332  -2.742   6.279
  179   1HD1  LEU  21          3HD1      LEU  21  -2.802  -2.618   6.904
  180   2HD1  LEU  21          2HD1      LEU  21  -3.371  -1.867   8.393
  181   3HD1  LEU  21          1HD1      LEU  21  -3.889  -3.499   7.977
  182   1HD2  LEU  21          2HD2      LEU  21  -5.726  -0.267   7.823
  183   2HD2  LEU  21          1HD2      LEU  21  -6.833  -1.614   7.561
  184   3HD2  LEU  21          3HD2      LEU  21  -5.607  -1.714   8.823
  185    H    GLN  22           H        GLN  22  -6.758   0.749   4.268
  186    HA   GLN  22           HA       GLN  22  -9.041  -1.122   4.307
  187   1HB   GLN  22          2HB       GLN  22  -8.180   0.338   6.627
  188   2HB   GLN  22          1HB       GLN  22  -9.754   0.944   6.109
  189   1HG   GLN  22          2HG       GLN  22 -10.817  -1.066   6.494
  190   2HG   GLN  22          1HG       GLN  22  -9.381  -2.019   6.115
  191   1HE2  GLN  22          2HE2      GLN  22  -8.686  -2.443   9.533
  192   2HE2  GLN  22          1HE2      GLN  22  -8.700  -3.099   7.967
  193    H    ASP  23           H        ASP  23  -7.844   0.933   2.412
  194    HA   ASP  23           HA       ASP  23  -9.448   3.261   2.292
  195   1HB   ASP  23          2HB       ASP  23  -7.623   1.912   0.555
  196   2HB   ASP  23          1HB       ASP  23  -9.080   2.274  -0.372
  197    H    LYS  24           H        LYS  24  -9.981   0.271   0.384
  198    HA   LYS  24           HA       LYS  24 -12.809   0.988   0.080
  199   1HB   LYS  24          2HB       LYS  24 -11.251  -1.455  -0.825
  200   2HB   LYS  24          1HB       LYS  24 -12.904  -1.063  -1.305
  201   1HG   LYS  24          2HG       LYS  24 -12.209   0.891  -2.454
  202   2HG   LYS  24          1HG       LYS  24 -10.598   0.830  -1.737
  203   1HD   LYS  24          2HD       LYS  24 -10.695   0.003  -4.120
  204   2HD   LYS  24          1HD       LYS  24 -10.055  -1.177  -2.975
  205   1HE   LYS  24          2HE       LYS  24 -12.986  -1.257  -3.291
  206   2HE   LYS  24          1HE       LYS  24 -12.086  -1.693  -4.742
  207   1HZ   LYS  24          1HZ       LYS  24 -10.802  -3.266  -3.396
  208   2HZ   LYS  24          3HZ       LYS  24 -11.753  -2.885  -2.043
  209   3HZ   LYS  24          2HZ       LYS  24 -12.461  -3.633  -3.396
  210    HA   PRO  25           HA       PRO  25 -14.081  -2.075   3.195
  211   1HB   PRO  25          2HB       PRO  25 -13.664  -4.764   2.836
  212   2HB   PRO  25          1HB       PRO  25 -14.974  -3.876   2.040
  213   1HG   PRO  25          2HG       PRO  25 -12.433  -4.908   0.880
  214   2HG   PRO  25          1HG       PRO  25 -13.981  -4.580   0.081
  215   1HD   PRO  25          2HD       PRO  25 -11.677  -2.934   0.007
  216   2HD   PRO  25          1HD       PRO  25 -13.314  -2.493  -0.531
  217    H    GLU  26           H        GLU  26 -11.296  -4.088   2.221
  218    HA   GLU  26           HA       GLU  26  -9.625  -3.075   4.395
  219   1HB   GLU  26          2HB       GLU  26 -10.298  -6.020   4.481
  220   2HB   GLU  26          1HB       GLU  26  -9.464  -5.048   5.694
  221   1HG   GLU  26          2HG       GLU  26 -11.553  -3.803   6.132
  222   2HG   GLU  26          1HG       GLU  26 -12.385  -4.774   4.915
  223    H    ALA  27           H        ALA  27  -8.873  -2.803   1.914
  224    HA   ALA  27           HA       ALA  27  -7.491  -5.224   0.979
  225   1HB   ALA  27          1HB       ALA  27  -7.920  -2.464  -0.137
  226   2HB   ALA  27          3HB       ALA  27  -6.655  -3.495  -0.805
  227   3HB   ALA  27          2HB       ALA  27  -8.337  -4.023  -0.851
  228    H    GLN  28           H        GLN  28  -5.527  -5.694   1.823
  229    HA   GLN  28           HA       GLN  28  -3.988  -3.592   3.193
  230   1HB   GLN  28          2HB       GLN  28  -4.335  -6.308   3.625
  231   2HB   GLN  28          1HB       GLN  28  -2.716  -6.217   2.927
  232   1HG   GLN  28          2HG       GLN  28  -1.909  -4.856   4.654
  233   2HG   GLN  28          1HG       GLN  28  -3.521  -4.301   5.105
  234   1HE2  GLN  28          2HE2      GLN  28  -2.243  -7.974   6.442
  235   2HE2  GLN  28          1HE2      GLN  28  -1.514  -7.292   5.070
  236    H    ILE  29           H        ILE  29  -1.551  -3.609   2.789
  237    HA   ILE  29           HA       ILE  29  -0.887  -4.166  -0.046
  238    HB   ILE  29           HB       ILE  29  -1.639  -1.760   0.231
  239   1HG1  ILE  29          2HG1      ILE  29   1.286  -2.006  -0.501
  240   2HG1  ILE  29          1HG1      ILE  29   0.003  -2.660  -1.520
  241   1HG2  ILE  29          1HG2      ILE  29  -0.519  -1.624   2.536
  242   2HG2  ILE  29          3HG2      ILE  29   0.999  -1.422   1.662
  243   3HG2  ILE  29          2HG2      ILE  29  -0.295  -0.239   1.466
  244   1HD1  ILE  29          3HD1      ILE  29  -1.054  -0.365  -1.514
  245   2HD1  ILE  29          2HD1      ILE  29   0.396   0.231  -0.707
  246   3HD1  ILE  29          1HD1      ILE  29   0.507  -0.443  -2.332
  247    H    ILE  30           H        ILE  30   1.162  -4.941  -0.270
  248    HA   ILE  30           HA       ILE  30   2.780  -5.303   2.175
  249    HB   ILE  30           HB       ILE  30   2.741  -6.432  -0.597
  250   1HG1  ILE  30          2HG1      ILE  30   2.659  -8.526   0.557
  251   2HG1  ILE  30          1HG1      ILE  30   3.233  -7.798   2.057
  252   1HG2  ILE  30          3HG2      ILE  30   5.181  -5.923   0.963
  253   2HG2  ILE  30          2HG2      ILE  30   4.984  -7.602   0.464
  254   3HG2  ILE  30          1HG2      ILE  30   4.995  -6.320  -0.747
  255   1HD1  ILE  30          3HD1      ILE  30   0.680  -6.805   0.829
  256   2HD1  ILE  30          2HD1      ILE  30   0.667  -8.307   1.753
  257   3HD1  ILE  30          1HD1      ILE  30   1.176  -6.804   2.521
  258    H    VAL  31           H        VAL  31   4.514  -3.972   2.609
  259    HA   VAL  31           HA       VAL  31   5.172  -1.994   0.523
  260    HB   VAL  31           HB       VAL  31   6.132  -2.118   3.390
  261   1HG1  VAL  31          1HG1      VAL  31   6.858  -0.503   1.154
  262   2HG1  VAL  31          3HG1      VAL  31   5.963   0.507   2.288
  263   3HG1  VAL  31          2HG1      VAL  31   7.404  -0.358   2.824
  264   1HG2  VAL  31          1HG2      VAL  31   3.701  -0.886   2.098
  265   2HG2  VAL  31          3HG2      VAL  31   3.786  -1.880   3.552
  266   3HG2  VAL  31          2HG2      VAL  31   4.377  -0.221   3.584
  267    H    LEU  32           H        LEU  32   7.108  -1.909  -0.513
  268    HA   LEU  32           HA       LEU  32   9.379  -3.546   0.442
  269   1HB   LEU  32          2HB       LEU  32   9.645  -4.714  -1.651
  270   2HB   LEU  32          1HB       LEU  32   7.987  -4.977  -1.116
  271    HG   LEU  32           HG       LEU  32   7.998  -2.590  -2.647
  272   1HD1  LEU  32          3HD1      LEU  32  10.205  -4.017  -3.396
  273   2HD1  LEU  32          2HD1      LEU  32   8.986  -4.719  -4.457
  274   3HD1  LEU  32          1HD1      LEU  32   9.293  -2.983  -4.493
  275   1HD2  LEU  32          3HD2      LEU  32   6.334  -4.626  -2.291
  276   2HD2  LEU  32          2HD2      LEU  32   6.287  -3.700  -3.790
  277   3HD2  LEU  32          1HD2      LEU  32   7.125  -5.251  -3.737
  278    HA   PRO  33           HA       PRO  33  11.612  -0.171  -1.264
  279   1HB   PRO  33          2HB       PRO  33  14.063  -1.386  -1.498
  280   2HB   PRO  33          1HB       PRO  33  13.361  -0.913   0.060
  281   1HG   PRO  33          2HG       PRO  33  13.641  -3.636  -1.117
  282   2HG   PRO  33          1HG       PRO  33  13.539  -3.154   0.585
  283   1HD   PRO  33          2HD       PRO  33  11.431  -4.234  -0.989
  284   2HD   PRO  33          1HD       PRO  33  11.277  -3.505   0.624
  285    H    VAL  34           H        VAL  34  10.106  -0.993  -3.296
  286    HA   VAL  34           HA       VAL  34   9.957  -1.505  -5.571
  287    HB   VAL  34           HB       VAL  34  12.378  -0.524  -6.600
  288   1HG1  VAL  34          3HG1      VAL  34   9.994  -0.095  -7.307
  289   2HG1  VAL  34          2HG1      VAL  34   9.880   1.073  -5.990
  290   3HG1  VAL  34          1HG1      VAL  34  11.024   1.337  -7.306
  291   1HG2  VAL  34          2HG2      VAL  34  11.564   0.906  -4.055
  292   2HG2  VAL  34          1HG2      VAL  34  13.161   0.295  -4.487
  293   3HG2  VAL  34          3HG2      VAL  34  12.496   1.696  -5.328
  294    H    GLY  35           H        GLY  35  13.477  -1.683  -5.712
  295   1HA   GLY  35          2HA       GLY  35  14.789  -3.462  -6.547
  296   2HA   GLY  35          1HA       GLY  35  14.034  -4.336  -5.213
  297    H    THR  36           H        THR  36  13.949  -6.299  -6.458
  298    HA   THR  36           HA       THR  36  12.276  -6.255  -8.911
  299    HB   THR  36           HB       THR  36  13.298  -8.833  -7.842
  300    HG1  THR  36           HG1      THR  36  15.237  -8.104  -7.620
  301   1HG2  THR  36          3HG2      THR  36  12.575  -7.584 -10.368
  302   2HG2  THR  36          2HG2      THR  36  14.148  -8.375 -10.466
  303   3HG2  THR  36          1HG2      THR  36  12.728  -9.296  -9.971
  304    H    ILE  37           H        ILE  37  11.433  -9.082  -8.356
  305    HA   ILE  37           HA       ILE  37   8.879  -8.539  -7.223
  306    HB   ILE  37           HB       ILE  37   9.730 -10.555  -8.672
  307   1HG1  ILE  37          2HG1      ILE  37   7.928 -11.748  -6.732
  308   2HG1  ILE  37          1HG1      ILE  37   7.460 -10.086  -7.090
  309   1HG2  ILE  37          2HG2      ILE  37  11.166 -11.100  -6.391
  310   2HG2  ILE  37          1HG2      ILE  37   9.768 -12.158  -6.205
  311   3HG2  ILE  37          3HG2      ILE  37  10.780 -12.282  -7.643
  312   1HD1  ILE  37          2HD1      ILE  37   8.095 -11.066  -9.588
  313   2HD1  ILE  37          1HD1      ILE  37   7.360 -12.467  -8.811
  314   3HD1  ILE  37          3HD1      ILE  37   6.461 -10.953  -8.932
  315    H    VAL  38           H        VAL  38   8.295 -10.287  -5.227
  316    HA   VAL  38           HA       VAL  38   8.982  -9.059  -2.856
  317    HB   VAL  38           HB       VAL  38   7.323 -10.870  -2.985
  318   1HG1  VAL  38          1HG1      VAL  38   9.043 -12.238  -4.473
  319   2HG1  VAL  38          3HG1      VAL  38   9.510 -12.915  -2.912
  320   3HG1  VAL  38          2HG1      VAL  38   7.849 -13.075  -3.481
  321   1HG2  VAL  38          2HG2      VAL  38   8.500 -10.271  -0.809
  322   2HG2  VAL  38          1HG2      VAL  38   7.794 -11.887  -0.858
  323   3HG2  VAL  38          3HG2      VAL  38   9.531 -11.677  -1.076
  324    H    THR  39           H        THR  39  10.870 -11.545  -4.545
  325    HA   THR  39           HA       THR  39  13.002 -12.431  -4.044
  326    HB   THR  39           HB       THR  39  13.500 -10.223  -5.081
  327    HG1  THR  39           HG1      THR  39  15.588  -9.996  -3.914
  328   1HG2  THR  39          2HG2      THR  39  13.367  -9.328  -2.198
  329   2HG2  THR  39          1HG2      THR  39  14.221  -8.404  -3.434
  330   3HG2  THR  39          3HG2      THR  39  12.485  -8.676  -3.578
  331   1H    GLU  41          2H        GLU  41 -13.377 -10.819 -10.522
  332   2H    GLU  41          1H        GLU  41 -12.363  -9.728 -11.340
  333   3H    GLU  41          3H        GLU  41 -12.132 -11.398 -11.525
  334    HA   GLU  41           HA       GLU  41 -11.018 -11.622  -9.603
  335   1HB   GLU  41          2HB       GLU  41 -10.798  -8.609  -9.782
  336   2HB   GLU  41          1HB       GLU  41  -9.579  -9.755  -9.220
  337   1HG   GLU  41          2HG       GLU  41  -9.076 -10.487 -11.377
  338   2HG   GLU  41          1HG       GLU  41 -10.641  -9.988 -12.019
  339    H    TYR  42           H        TYR  42 -10.604 -10.407  -7.309
  340    HA   TYR  42           HA       TYR  42 -13.288  -9.651  -6.234
  341   1HB   TYR  42          2HB       TYR  42 -12.830 -10.964  -4.233
  342   2HB   TYR  42          1HB       TYR  42 -12.660 -12.002  -5.648
  343    HD1  TYR  42           HD1      TYR  42 -10.234 -12.114  -6.691
  344    HD2  TYR  42           HD2      TYR  42 -11.103 -10.900  -2.664
  345    HE1  TYR  42           HE1      TYR  42  -7.904 -12.619  -6.036
  346    HE2  TYR  42           HE2      TYR  42  -8.772 -11.408  -2.009
  347    HH   TYR  42           HH       TYR  42  -6.739 -11.968  -2.735
  348    H    ARG  43           H        ARG  43 -12.406  -9.148  -3.589
  349    HA   ARG  43           HA       ARG  43 -10.891  -6.647  -4.070
  350   1HB   ARG  43          2HB       ARG  43 -11.657  -5.953  -1.897
  351   2HB   ARG  43          1HB       ARG  43 -13.033  -6.682  -2.724
  352   1HG   ARG  43          2HG       ARG  43 -12.102  -8.889  -1.539
  353   2HG   ARG  43          1HG       ARG  43 -11.453  -7.705  -0.401
  354   1HD   ARG  43          2HD       ARG  43 -13.904  -6.700  -0.565
  355   2HD   ARG  43          1HD       ARG  43 -14.307  -8.350  -1.042
  356    HE   ARG  43           HE       ARG  43 -12.871  -8.823   1.200
  357   1HH1  ARG  43          2HH1      ARG  43 -12.921  -6.864   2.927
  358   2HH1  ARG  43          1HH1      ARG  43 -14.542  -6.595   3.475
  359   1HH2  ARG  43          1HH2      ARG  43 -15.999  -8.325   0.847
  360   2HH2  ARG  43          2HH2      ARG  43 -16.285  -7.420   2.295
  361    H    ILE  44           H        ILE  44  -8.986  -8.327  -4.467
  362    HA   ILE  44           HA       ILE  44  -7.736  -9.768  -2.442
  363    HB   ILE  44           HB       ILE  44  -6.711  -9.715  -4.628
  364   1HG1  ILE  44          2HG1      ILE  44  -4.539  -8.238  -3.375
  365   2HG1  ILE  44          1HG1      ILE  44  -5.316  -9.323  -2.222
  366   1HG2  ILE  44          3HG2      ILE  44  -7.426  -7.371  -5.160
  367   2HG2  ILE  44          2HG2      ILE  44  -6.142  -6.780  -4.104
  368   3HG2  ILE  44          1HG2      ILE  44  -5.738  -7.684  -5.564
  369   1HD1  ILE  44          2HD1      ILE  44  -5.173 -10.955  -4.385
  370   2HD1  ILE  44          1HD1      ILE  44  -3.738  -9.964  -4.650
  371   3HD1  ILE  44          3HD1      ILE  44  -3.919 -10.873  -3.149
  372    H    ASP  45           H        ASP  45  -6.361  -9.231  -0.698
  373    HA   ASP  45           HA       ASP  45  -6.509  -6.365   0.075
  374   1HB   ASP  45          2HB       ASP  45  -6.769  -6.999   2.299
  375   2HB   ASP  45          1HB       ASP  45  -7.599  -8.311   1.462
  376    H    ARG  46           H        ARG  46  -4.496  -7.213  -1.687
  377    HA   ARG  46           HA       ARG  46  -2.130  -6.522  -0.067
  378   1HB   ARG  46          2HB       ARG  46  -2.197  -9.022  -0.091
  379   2HB   ARG  46          1HB       ARG  46  -2.151  -8.978  -1.855
  380   1HG   ARG  46          2HG       ARG  46  -0.060  -7.293  -0.884
  381   2HG   ARG  46          1HG       ARG  46   0.046  -8.833  -0.031
  382   1HD   ARG  46          2HD       ARG  46  -0.476  -9.018  -2.942
  383   2HD   ARG  46          1HD       ARG  46   1.119  -8.417  -2.490
  384    HE   ARG  46           HE       ARG  46   0.029 -11.089  -1.731
  385   1HH1  ARG  46          2HH1      ARG  46   2.485  -8.765  -1.279
  386   2HH1  ARG  46          1HH1      ARG  46   3.781  -9.914  -1.282
  387   1HH2  ARG  46          1HH2      ARG  46   1.743 -12.610  -2.054
  388   2HH2  ARG  46          2HH2      ARG  46   3.360 -12.091  -1.714
  389    H    VAL  47           H        VAL  47  -0.571  -5.418  -1.322
  390    HA   VAL  47           HA       VAL  47  -0.880  -5.331  -4.251
  391    HB   VAL  47           HB       VAL  47  -0.710  -2.591  -3.364
  392   1HG1  VAL  47          3HG1      VAL  47  -2.803  -4.174  -4.878
  393   2HG1  VAL  47          2HG1      VAL  47  -2.747  -2.412  -4.789
  394   3HG1  VAL  47          1HG1      VAL  47  -1.440  -3.298  -5.579
  395   1HG2  VAL  47          1HG2      VAL  47  -3.056  -4.189  -2.292
  396   2HG2  VAL  47          3HG2      VAL  47  -1.905  -3.239  -1.352
  397   3HG2  VAL  47          2HG2      VAL  47  -3.041  -2.432  -2.430
  398    H    ARG  48           H        ARG  48   0.967  -3.997  -5.227
  399    HA   ARG  48           HA       ARG  48   3.384  -4.514  -3.602
  400   1HB   ARG  48          2HB       ARG  48   2.792  -4.585  -6.392
  401   2HB   ARG  48          1HB       ARG  48   4.035  -3.353  -6.135
  402   1HG   ARG  48          2HG       ARG  48   4.879  -5.745  -6.505
  403   2HG   ARG  48          1HG       ARG  48   5.501  -4.912  -5.082
  404   1HD   ARG  48          2HD       ARG  48   4.645  -6.496  -3.731
  405   2HD   ARG  48          1HD       ARG  48   3.036  -6.236  -4.405
  406    HE   ARG  48           HE       ARG  48   3.477  -7.988  -6.029
  407   1HH1  ARG  48          1HH2      ARG  48   6.451  -7.132  -4.693
  408   2HH1  ARG  48          2HH2      ARG  48   7.049  -8.752  -4.559
  409   1HH2  ARG  48          2HH1      ARG  48   4.034 -10.220  -5.437
  410   2HH2  ARG  48          1HH1      ARG  48   5.682 -10.498  -4.980
  411    H    LEU  49           H        LEU  49   3.269  -2.792  -2.102
  412    HA   LEU  49           HA       LEU  49   3.146  -0.034  -3.053
  413   1HB   LEU  49          2HB       LEU  49   2.277  -0.302  -0.867
  414   2HB   LEU  49          1HB       LEU  49   3.634  -1.308  -0.358
  415    HG   LEU  49           HG       LEU  49   5.131   0.561  -0.339
  416   1HD1  LEU  49          3HD1      LEU  49   2.874   2.149  -1.610
  417   2HD1  LEU  49          2HD1      LEU  49   4.431   2.810  -1.114
  418   3HD1  LEU  49          1HD1      LEU  49   4.352   1.632  -2.426
  419   1HD2  LEU  49          2HD2      LEU  49   2.526   0.767   1.023
  420   2HD2  LEU  49          1HD2      LEU  49   4.156   0.880   1.689
  421   3HD2  LEU  49          3HD2      LEU  49   3.412   2.288   0.928
  422    H    PHE  50           H        PHE  50   4.897   0.131  -4.473
  423    HA   PHE  50           HA       PHE  50   7.613  -0.592  -3.672
  424   1HB   PHE  50          2HB       PHE  50   6.263   0.750  -5.984
  425   2HB   PHE  50          1HB       PHE  50   8.005   0.978  -5.792
  426    HD1  PHE  50           HD2      PHE  50   7.109  -2.147  -4.377
  427    HD2  PHE  50           HD1      PHE  50   7.741  -0.213  -8.161
  428    HE1  PHE  50           HE2      PHE  50   7.461  -4.348  -5.446
  429    HE2  PHE  50           HE1      PHE  50   8.092  -2.420  -9.226
  430    HZ   PHE  50           HZ       PHE  50   7.953  -4.490  -7.869
  431    H    VAL  51           H        VAL  51   9.272   1.418  -4.019
  432    HA   VAL  51           HA       VAL  51   8.182   3.904  -2.836
  433    HB   VAL  51           HB       VAL  51  10.481   3.613  -1.346
  434   1HG1  VAL  51          3HG1      VAL  51   8.050   4.341  -0.778
  435   2HG1  VAL  51          2HG1      VAL  51   7.818   2.655  -0.312
  436   3HG1  VAL  51          1HG1      VAL  51   9.035   3.639   0.507
  437   1HG2  VAL  51          3HG2      VAL  51  10.253   1.108  -2.207
  438   2HG2  VAL  51          2HG2      VAL  51  10.717   1.446  -0.539
  439   3HG2  VAL  51          1HG2      VAL  51   9.051   1.012  -0.919
  440    H    ASP  52           H        ASP  52  10.408   5.327  -2.392
  441    HA   ASP  52           HA       ASP  52  11.911   5.130  -4.965
  442   1HB   ASP  52          2HB       ASP  52  11.907   7.461  -5.193
  443   2HB   ASP  52          1HB       ASP  52  10.302   7.145  -4.548
  444    H    LYS  53           H        LYS  53  13.642   7.367  -3.917
  445    HA   LYS  53           HA       LYS  53  15.747   5.790  -2.865
  446   1HB   LYS  53          2HB       LYS  53  15.349   8.774  -2.593
  447   2HB   LYS  53          1HB       LYS  53  16.887   7.904  -2.587
  448   1HG   LYS  53          2HG       LYS  53  14.938   7.975  -4.918
  449   2HG   LYS  53          1HG       LYS  53  16.399   8.958  -4.796
  450   1HD   LYS  53          2HD       LYS  53  17.748   6.866  -4.603
  451   2HD   LYS  53          1HD       LYS  53  16.274   5.931  -4.856
  452   1HE   LYS  53          2HE       LYS  53  16.662   6.102  -7.069
  453   2HE   LYS  53          1HE       LYS  53  16.275   7.816  -6.925
  454   1HZ   LYS  53          2HZ       LYS  53  18.865   7.529  -6.012
  455   2HZ   LYS  53          1HZ       LYS  53  18.777   6.595  -7.429
  456   3HZ   LYS  53          3HZ       LYS  53  18.364   8.239  -7.472
  457    H    LEU  54           H        LEU  54  13.719   8.245  -1.170
  458    HA   LEU  54           HA       LEU  54  14.580   7.007   1.397
  459   1HB   LEU  54          2HB       LEU  54  13.074   9.599   1.008
  460   2HB   LEU  54          1HB       LEU  54  13.925   9.057   2.456
  461    HG   LEU  54           HG       LEU  54  15.927   8.914   0.606
  462   1HD1  LEU  54          1HD1      LEU  54  13.838  10.531  -0.551
  463   2HD1  LEU  54          3HD1      LEU  54  15.248  11.539  -0.221
  464   3HD1  LEU  54          2HD1      LEU  54  15.407  10.105  -1.235
  465   1HD2  LEU  54          2HD2      LEU  54  15.014  11.179   2.391
  466   2HD2  LEU  54          1HD2      LEU  54  16.266   9.979   2.711
  467   3HD2  LEU  54          3HD2      LEU  54  16.543  11.243   1.514
  468    H    ASP  55           H        ASP  55  12.243   6.167  -0.544
  469    HA   ASP  55           HA       ASP  55  10.346   4.858  -0.007
  470   1HB   ASP  55          2HB       ASP  55   9.644   4.512   2.140
  471   2HB   ASP  55          1HB       ASP  55  11.238   5.168   2.485
  472    H    ASN  56           H        ASN  56  10.254   6.979  -1.618
  473    HA   ASN  56           HA       ASN  56   7.792   8.488  -0.874
  474   1HB   ASN  56          2HB       ASN  56  10.084   9.575  -1.747
  475   2HB   ASN  56          1HB       ASN  56   9.366   9.182  -3.313
  476   1HD2  ASN  56          2HD2      ASN  56   7.448  11.922  -0.909
  477   2HD2  ASN  56          1HD2      ASN  56   8.461  10.763  -0.194
  478    H    ILE  57           H        ILE  57   6.257   7.035  -1.415
  479    HA   ILE  57           HA       ILE  57   6.047   5.119  -3.320
  480    HB   ILE  57           HB       ILE  57   3.852   7.146  -2.853
  481   1HG1  ILE  57          2HG1      ILE  57   4.584   4.649  -1.301
  482   2HG1  ILE  57          1HG1      ILE  57   4.758   6.303  -0.720
  483   1HG2  ILE  57          2HG2      ILE  57   4.055   4.493  -4.157
  484   2HG2  ILE  57          1HG2      ILE  57   2.668   4.717  -3.091
  485   3HG2  ILE  57          3HG2      ILE  57   2.918   5.809  -4.452
  486   1HD1  ILE  57          3HD1      ILE  57   2.087   5.440  -1.731
  487   2HD1  ILE  57          2HD1      ILE  57   2.602   4.878  -0.144
  488   3HD1  ILE  57          1HD1      ILE  57   2.483   6.605  -0.468
  489    H    ALA  58           H        ALA  58   7.336   5.644  -5.140
  490    HA   ALA  58           HA       ALA  58   6.438   7.841  -6.903
  491   1HB   ALA  58          3HB       ALA  58   8.902   6.603  -6.470
  492   2HB   ALA  58          2HB       ALA  58   8.385   5.976  -8.035
  493   3HB   ALA  58          1HB       ALA  58   8.525   7.717  -7.785
  494    H    GLN  59           H        GLN  59   6.306   4.354  -6.602
  495    HA   GLN  59           HA       GLN  59   4.863   4.142  -9.199
  496   1HB   GLN  59          2HB       GLN  59   6.727   2.470  -7.926
  497   2HB   GLN  59          1HB       GLN  59   5.177   1.650  -7.725
  498   1HG   GLN  59          2HG       GLN  59   6.196   0.944  -9.828
  499   2HG   GLN  59          1HG       GLN  59   4.762   1.914 -10.171
  500   1HE2  GLN  59          2HE2      GLN  59   7.002   3.599 -12.404
  501   2HE2  GLN  59          1HE2      GLN  59   5.808   2.397 -12.319
  502    H    VAL  60           H        VAL  60   2.652   3.766  -9.200
  503    HA   VAL  60           HA       VAL  60   1.311   3.921  -6.586
  504    HB   VAL  60           HB       VAL  60   0.169   3.882  -9.387
  505   1HG1  VAL  60          1HG1      VAL  60  -1.178   3.220  -7.149
  506   2HG1  VAL  60          3HG1      VAL  60  -1.289   4.975  -7.039
  507   3HG1  VAL  60          2HG1      VAL  60  -1.920   4.143  -8.458
  508   1HG2  VAL  60          2HG2      VAL  60   1.697   5.832  -8.412
  509   2HG2  VAL  60          1HG2      VAL  60   0.247   6.194  -9.349
  510   3HG2  VAL  60          3HG2      VAL  60   0.201   6.269  -7.588
  511    HA   PRO  61           HA       PRO  61   0.484  -0.461  -6.647
  512   1HB   PRO  61          2HB       PRO  61  -0.802  -0.487  -4.219
  513   2HB   PRO  61          1HB       PRO  61   0.962  -0.449  -4.381
  514   1HG   PRO  61          2HG       PRO  61  -0.890   1.733  -3.564
  515   2HG   PRO  61          1HG       PRO  61   0.833   1.529  -3.204
  516   1HD   PRO  61          2HD       PRO  61  -0.289   3.257  -5.169
  517   2HD   PRO  61          1HD       PRO  61   1.431   2.864  -4.960
  518    H    ARG  62           H        ARG  62  -1.597  -1.771  -6.636
  519    HA   ARG  62           HA       ARG  62  -4.084  -0.179  -6.712
  520   1HB   ARG  62          2HB       ARG  62  -2.642  -0.864  -9.076
  521   2HB   ARG  62          1HB       ARG  62  -4.140  -1.796  -9.054
  522   1HG   ARG  62          2HG       ARG  62  -4.806   0.221 -10.056
  523   2HG   ARG  62          1HG       ARG  62  -5.246   0.464  -8.365
  524   1HD   ARG  62          2HD       ARG  62  -3.763   2.150  -8.127
  525   2HD   ARG  62          1HD       ARG  62  -2.476   1.215  -8.888
  526    HE   ARG  62           HE       ARG  62  -4.532   2.691 -10.484
  527   1HH1  ARG  62          1HH2      ARG  62  -1.727   0.841 -10.587
  528   2HH1  ARG  62          2HH2      ARG  62  -0.866   1.892 -11.660
  529   1HH2  ARG  62          2HH1      ARG  62  -3.254   4.402 -11.541
  530   2HH2  ARG  62          1HH1      ARG  62  -1.733   3.907 -12.205
  531    H    VAL  63           H        VAL  63  -5.775  -1.352  -5.953
  532    HA   VAL  63           HA       VAL  63  -5.389  -4.300  -5.647
  533    HB   VAL  63           HB       VAL  63  -6.656  -2.184  -3.961
  534   1HG1  VAL  63          2HG1      VAL  63  -8.534  -3.773  -4.501
  535   2HG1  VAL  63          1HG1      VAL  63  -7.560  -5.080  -3.828
  536   3HG1  VAL  63          3HG1      VAL  63  -8.099  -3.756  -2.791
  537   1HG2  VAL  63          2HG2      VAL  63  -4.400  -3.412  -3.614
  538   2HG2  VAL  63          1HG2      VAL  63  -5.472  -3.263  -2.223
  539   3HG2  VAL  63          3HG2      VAL  63  -5.385  -4.785  -3.109
  540    H    GLY  64           H        GLY  64  -6.799  -5.616  -6.740
  541   1HA   GLY  64          2HA       GLY  64  -9.521  -5.254  -7.188
  542   2HA   GLY  64          1HA       GLY  64  -8.743  -4.452  -8.552
   
  No H/Q in entry =         542
  Start of MODEL          12
 Raw file had  552 H/Q atoms
  Start of MODEL   12
    1   1H    MET   1          2H        MET   1 -11.977   8.100  -4.935
    2   2H    MET   1          1H        MET   1 -11.791   7.303  -6.423
    3   3H    MET   1          3H        MET   1 -13.336   7.493  -5.752
    4    HA   MET   1           HA       MET   1 -12.771   6.047  -3.917
    5   1HB   MET   1          2HB       MET   1 -12.115   4.924  -6.658
    6   2HB   MET   1          1HB       MET   1 -12.485   3.948  -5.234
    7   1HG   MET   1          2HG       MET   1 -14.650   4.106  -5.859
    8   2HG   MET   1          1HG       MET   1 -14.571   5.783  -5.320
    9   1HE   MET   1          3HE       MET   1 -15.375   3.447  -7.981
   10   2HE   MET   1          2HE       MET   1 -14.759   4.078  -9.506
   11   3HE   MET   1          1HE       MET   1 -13.638   3.425  -8.315
   12    H    LYS   2           H        LYS   2 -11.159   5.212  -2.629
   13    HA   LYS   2           HA       LYS   2  -8.385   5.838  -3.423
   14   1HB   LYS   2          2HB       LYS   2  -9.624   6.125  -1.049
   15   2HB   LYS   2          1HB       LYS   2  -8.948   4.512  -0.825
   16   1HG   LYS   2          2HG       LYS   2  -7.074   5.647  -0.201
   17   2HG   LYS   2          1HG       LYS   2  -6.825   5.795  -1.942
   18   1HD   LYS   2          2HD       LYS   2  -6.615   7.989  -0.880
   19   2HD   LYS   2          1HD       LYS   2  -8.040   7.953  -1.919
   20   1HE   LYS   2          2HE       LYS   2  -8.627   7.050   0.798
   21   2HE   LYS   2          1HE       LYS   2  -8.007   8.700   0.758
   22   1HZ   LYS   2          2HZ       LYS   2 -10.037   7.940  -1.209
   23   2HZ   LYS   2          1HZ       LYS   2 -10.538   8.188   0.396
   24   3HZ   LYS   2          3HZ       LYS   2  -9.766   9.437  -0.453
   25    H    THR   3           H        THR   3  -9.740   3.650  -4.803
   26    HA   THR   3           HA       THR   3  -8.539   1.177  -3.691
   27    HB   THR   3           HB       THR   3  -9.518   0.188  -5.838
   28    HG1  THR   3           HG1      THR   3 -10.962   2.588  -5.994
   29   1HG2  THR   3          3HG2      THR   3 -11.094   1.505  -3.660
   30   2HG2  THR   3          2HG2      THR   3 -11.964   0.773  -5.008
   31   3HG2  THR   3          1HG2      THR   3 -10.890  -0.210  -4.016
   32    H    GLU   4           H        GLU   4  -7.843   3.687  -5.942
   33    HA   GLU   4           HA       GLU   4  -5.658   2.088  -7.191
   34   1HB   GLU   4          2HB       GLU   4  -7.146   4.593  -7.956
   35   2HB   GLU   4          1HB       GLU   4  -5.537   4.300  -8.612
   36   1HG   GLU   4          2HG       GLU   4  -6.598   3.079 -10.207
   37   2HG   GLU   4          1HG       GLU   4  -6.774   1.849  -8.955
   38    H    TRP   5           H        TRP   5  -6.361   4.848  -5.168
   39    HA   TRP   5           HA       TRP   5  -4.933   6.307  -4.009
   40   1HB   TRP   5          2HB       TRP   5  -2.976   4.015  -4.344
   41   2HB   TRP   5          1HB       TRP   5  -2.857   5.323  -3.173
   42    HD1  TRP   5           HD1      TRP   5  -4.981   5.429  -1.343
   43    HE1  TRP   5           HE1      TRP   5  -6.171   3.465  -0.186
   44    HE3  TRP   5           HE3      TRP   5  -3.735   1.619  -4.531
   45    HZ2  TRP   5           HZ2      TRP   5  -6.543   0.660  -0.542
   46    HZ3  TRP   5           HZ3      TRP   5  -4.522  -0.687  -4.082
   47    HH2  TRP   5           HH2      TRP   5  -5.924  -1.169  -2.093
   48    HA   PRO   6           HA       PRO   6  -2.455   6.832  -8.027
   49   1HB   PRO   6          2HB       PRO   6  -4.116   8.526  -9.423
   50   2HB   PRO   6          1HB       PRO   6  -4.137   6.764  -9.631
   51   1HG   PRO   6          2HG       PRO   6  -6.068   8.507  -8.155
   52   2HG   PRO   6          1HG       PRO   6  -6.352   6.964  -8.979
   53   1HD   PRO   6          2HD       PRO   6  -6.088   7.279  -6.201
   54   2HD   PRO   6          1HD       PRO   6  -5.914   5.757  -7.088
   55    H    GLU   7           H        GLU   7  -4.588   8.884  -6.259
   56    HA   GLU   7           HA       GLU   7  -3.048  11.333  -6.553
   57   1HB   GLU   7          2HB       GLU   7  -5.394  10.428  -5.041
   58   2HB   GLU   7          1HB       GLU   7  -4.367  11.532  -4.124
   59   1HG   GLU   7          2HG       GLU   7  -5.106  13.283  -5.332
   60   2HG   GLU   7          1HG       GLU   7  -4.621  12.490  -6.831
   61    H    LEU   8           H        LEU   8  -2.579   8.406  -4.876
   62    HA   LEU   8           HA       LEU   8  -1.102   9.557  -2.638
   63   1HB   LEU   8          2HB       LEU   8  -2.332   7.382  -2.496
   64   2HB   LEU   8          1HB       LEU   8  -1.174   6.697  -3.635
   65    HG   LEU   8           HG       LEU   8   0.661   7.365  -2.024
   66   1HD1  LEU   8          2HD1      LEU   8  -0.974   9.018  -0.853
   67   2HD1  LEU   8          1HD1      LEU   8  -1.541   7.595   0.021
   68   3HD1  LEU   8          3HD1      LEU   8   0.144   8.099   0.154
   69   1HD2  LEU   8          1HD2      LEU   8  -0.256   5.055  -2.169
   70   2HD2  LEU   8          3HD2      LEU   8   0.261   5.460  -0.533
   71   3HD2  LEU   8          2HD2      LEU   8  -1.454   5.475  -0.945
   72    H    VAL   9           H        VAL   9  -0.441   9.134  -5.891
   73    HA   VAL   9           HA       VAL   9   2.194   8.132  -5.931
   74    HB   VAL   9           HB       VAL   9   0.824  10.230  -7.624
   75   1HG1  VAL   9          1HG1      VAL   9   3.332  10.667  -7.446
   76   2HG1  VAL   9          3HG1      VAL   9   3.576   9.064  -8.148
   77   3HG1  VAL   9          2HG1      VAL   9   2.751  10.314  -9.078
   78   1HG2  VAL   9          1HG2      VAL   9   1.740   7.373  -8.076
   79   2HG2  VAL   9          3HG2      VAL   9   0.075   7.948  -7.971
   80   3HG2  VAL   9          2HG2      VAL   9   1.083   8.411  -9.343
   81    H    GLY  10           H        GLY  10   4.228   9.210  -5.846
   82   1HA   GLY  10          2HA       GLY  10   5.767  10.740  -4.992
   83   2HA   GLY  10          1HA       GLY  10   4.524  11.966  -5.229
   84    H    LYS  11           H        LYS  11   3.293   9.498  -3.270
   85    HA   LYS  11           HA       LYS  11   3.648  11.230  -0.890
   86   1HB   LYS  11          2HB       LYS  11   1.421  10.040  -1.783
   87   2HB   LYS  11          1HB       LYS  11   2.028   8.727  -0.773
   88   1HG   LYS  11          2HG       LYS  11   0.914   9.866   0.872
   89   2HG   LYS  11          1HG       LYS  11   2.401  10.816   0.910
   90   1HD   LYS  11          2HD       LYS  11   1.437  12.626  -0.117
   91   2HD   LYS  11          1HD       LYS  11   0.374  11.625  -1.107
   92   1HE   LYS  11          2HE       LYS  11  -1.055  11.178   0.834
   93   2HE   LYS  11          1HE       LYS  11   0.024  12.119   1.864
   94   1HZ   LYS  11          2HZ       LYS  11  -0.572  13.745  -0.274
   95   2HZ   LYS  11          1HZ       LYS  11  -2.049  13.021   0.150
   96   3HZ   LYS  11          3HZ       LYS  11  -1.167  13.887   1.311
   97    H    SER  12           H        SER  12   3.119   8.663   0.766
   98    HA   SER  12           HA       SER  12   5.729   7.308   0.474
   99   1HB   SER  12          2HB       SER  12   4.937   8.943   2.885
  100   2HB   SER  12          1HB       SER  12   6.204   7.717   2.936
  101    HG   SER  12           HG       SER  12   6.804   9.088   0.860
  102    H    VAL  13           H        VAL  13   5.920   5.501   2.098
  103    HA   VAL  13           HA       VAL  13   3.772   3.712   1.979
  104    HB   VAL  13           HB       VAL  13   5.921   3.918   4.107
  105   1HG1  VAL  13          1HG1      VAL  13   3.636   2.149   3.807
  106   2HG1  VAL  13          3HG1      VAL  13   5.151   1.249   3.730
  107   3HG1  VAL  13          2HG1      VAL  13   4.795   2.257   5.132
  108   1HG2  VAL  13          1HG2      VAL  13   5.741   2.697   1.369
  109   2HG2  VAL  13          3HG2      VAL  13   7.077   3.578   2.112
  110   3HG2  VAL  13          2HG2      VAL  13   6.743   1.914   2.592
  111    H    GLU  14           H        GLU  14   4.429   6.214   4.389
  112    HA   GLU  14           HA       GLU  14   2.732   5.513   6.470
  113   1HB   GLU  14          2HB       GLU  14   3.344   8.178   5.204
  114   2HB   GLU  14          1HB       GLU  14   2.200   8.069   6.540
  115   1HG   GLU  14          2HG       GLU  14   3.830   7.307   8.046
  116   2HG   GLU  14          1HG       GLU  14   4.907   6.771   6.756
  117    H    GLU  15           H        GLU  15   1.549   7.887   4.105
  118    HA   GLU  15           HA       GLU  15  -1.195   7.348   4.548
  119   1HB   GLU  15          2HB       GLU  15   0.400   8.690   2.431
  120   2HB   GLU  15          1HB       GLU  15  -1.225   8.179   1.969
  121   1HG   GLU  15          2HG       GLU  15  -1.610   9.290   4.479
  122   2HG   GLU  15          1HG       GLU  15  -0.397  10.346   3.757
  123    H    ALA  16           H        ALA  16   1.148   5.749   2.462
  124    HA   ALA  16           HA       ALA  16  -0.695   4.305   0.840
  125   1HB   ALA  16          2HB       ALA  16   2.141   4.311   1.321
  126   2HB   ALA  16          1HB       ALA  16   1.553   2.649   1.265
  127   3HB   ALA  16          3HB       ALA  16   1.265   3.734  -0.095
  128    H    LYS  17           H        LYS  17   1.313   2.451   3.102
  129    HA   LYS  17           HA       LYS  17  -0.524   0.376   3.454
  130   1HB   LYS  17          2HB       LYS  17   1.787   1.406   4.957
  131   2HB   LYS  17          1HB       LYS  17   0.622   0.540   5.958
  132   1HG   LYS  17          2HG       LYS  17   1.155  -0.786   3.394
  133   2HG   LYS  17          1HG       LYS  17   2.583  -0.650   4.422
  134   1HD   LYS  17          2HD       LYS  17  -0.090  -1.733   5.353
  135   2HD   LYS  17          1HD       LYS  17   1.268  -2.738   4.846
  136   1HE   LYS  17          2HE       LYS  17   1.693  -0.637   6.950
  137   2HE   LYS  17          1HE       LYS  17   0.953  -2.175   7.396
  138   1HZ   LYS  17          1HZ       LYS  17   3.289  -2.415   5.721
  139   2HZ   LYS  17          3HZ       LYS  17   3.602  -1.734   7.242
  140   3HZ   LYS  17          2HZ       LYS  17   2.870  -3.264   7.131
  141    H    LYS  18           H        LYS  18  -0.483   3.539   4.912
  142    HA   LYS  18           HA       LYS  18  -2.249   3.174   7.081
  143   1HB   LYS  18          2HB       LYS  18  -1.030   5.246   6.763
  144   2HB   LYS  18          1HB       LYS  18  -1.875   5.552   5.240
  145   1HG   LYS  18          2HG       LYS  18  -3.072   6.874   6.772
  146   2HG   LYS  18          1HG       LYS  18  -4.036   5.400   6.711
  147   1HD   LYS  18          2HD       LYS  18  -1.957   5.072   8.667
  148   2HD   LYS  18          1HD       LYS  18  -2.816   6.578   8.989
  149   1HE   LYS  18          2HE       LYS  18  -4.784   5.512   9.478
  150   2HE   LYS  18          1HE       LYS  18  -4.501   4.229   8.301
  151   1HZ   LYS  18          3HZ       LYS  18  -2.523   3.872  10.125
  152   2HZ   LYS  18          2HZ       LYS  18  -3.846   4.323  11.091
  153   3HZ   LYS  18          1HZ       LYS  18  -3.966   2.986  10.050
  154    H    VAL  19           H        VAL  19  -3.387   5.004   4.277
  155    HA   VAL  19           HA       VAL  19  -6.119   4.265   4.713
  156    HB   VAL  19           HB       VAL  19  -5.117   5.155   2.024
  157   1HG1  VAL  19          1HG1      VAL  19  -7.584   5.351   3.685
  158   2HG1  VAL  19          3HG1      VAL  19  -7.211   6.721   2.640
  159   3HG1  VAL  19          2HG1      VAL  19  -7.416   5.114   1.946
  160   1HG2  VAL  19          2HG2      VAL  19  -4.991   6.640   4.638
  161   2HG2  VAL  19          1HG2      VAL  19  -3.827   6.629   3.313
  162   3HG2  VAL  19          3HG2      VAL  19  -5.339   7.525   3.153
  163    H    ILE  20           H        ILE  20  -3.680   3.023   2.468
  164    HA   ILE  20           HA       ILE  20  -5.268   1.358   0.878
  165    HB   ILE  20           HB       ILE  20  -2.494   0.813   1.976
  166   1HG1  ILE  20          2HG1      ILE  20  -3.359   1.951  -0.699
  167   2HG1  ILE  20          1HG1      ILE  20  -2.836   2.942   0.664
  168   1HG2  ILE  20          2HG2      ILE  20  -4.230  -0.585  -0.019
  169   2HG2  ILE  20          1HG2      ILE  20  -2.502  -0.477  -0.354
  170   3HG2  ILE  20          3HG2      ILE  20  -3.067  -1.260   1.122
  171   1HD1  ILE  20          3HD1      ILE  20  -0.816   1.092   0.524
  172   2HD1  ILE  20          2HD1      ILE  20  -1.235   1.288  -1.178
  173   3HD1  ILE  20          1HD1      ILE  20  -0.759   2.689  -0.219
  174    H    LEU  21           H        LEU  21  -3.605   0.389   3.913
  175    HA   LEU  21           HA       LEU  21  -4.426  -2.190   4.264
  176   1HB   LEU  21          2HB       LEU  21  -3.182  -1.088   6.005
  177   2HB   LEU  21          1HB       LEU  21  -4.510   0.038   6.312
  178    HG   LEU  21           HG       LEU  21  -5.554  -2.610   6.508
  179   1HD1  LEU  21          3HD1      LEU  21  -2.870  -2.747   7.031
  180   2HD1  LEU  21          2HD1      LEU  21  -3.514  -2.383   8.631
  181   3HD1  LEU  21          1HD1      LEU  21  -4.076  -3.809   7.758
  182   1HD2  LEU  21          2HD2      LEU  21  -4.997  -0.350   8.440
  183   2HD2  LEU  21          1HD2      LEU  21  -6.538  -0.800   7.711
  184   3HD2  LEU  21          3HD2      LEU  21  -5.811  -1.831   8.943
  185    H    GLN  22           H        GLN  22  -6.568   0.591   4.345
  186    HA   GLN  22           HA       GLN  22  -8.843  -1.291   4.269
  187   1HB   GLN  22          2HB       GLN  22  -8.123   0.243   6.612
  188   2HB   GLN  22          1HB       GLN  22  -9.699   0.756   6.006
  189   1HG   GLN  22          2HG       GLN  22 -10.595  -1.442   6.162
  190   2HG   GLN  22          1HG       GLN  22  -8.996  -2.166   6.347
  191   1HE2  GLN  22          2HE2      GLN  22 -10.936  -1.353   9.664
  192   2HE2  GLN  22          1HE2      GLN  22 -11.624  -1.734   8.159
  193    H    ASP  23           H        ASP  23  -8.038   0.112   2.086
  194    HA   ASP  23           HA       ASP  23  -8.971   2.755   1.791
  195   1HB   ASP  23          2HB       ASP  23  -7.777   1.960  -0.064
  196   2HB   ASP  23          1HB       ASP  23  -8.701   0.454  -0.134
  197    H    LYS  24           H        LYS  24 -10.821  -0.202   0.832
  198    HA   LYS  24           HA       LYS  24 -13.236   1.365   1.604
  199   1HB   LYS  24          2HB       LYS  24 -13.726  -0.863  -0.274
  200   2HB   LYS  24          1HB       LYS  24 -14.381   0.759  -0.247
  201   1HG   LYS  24          2HG       LYS  24 -13.073   0.894  -2.148
  202   2HG   LYS  24          1HG       LYS  24 -11.932   1.454  -0.931
  203   1HD   LYS  24          2HD       LYS  24 -10.694  -0.130  -2.174
  204   2HD   LYS  24          1HD       LYS  24 -11.203  -1.029  -0.758
  205   1HE   LYS  24          2HE       LYS  24 -12.812  -2.249  -1.945
  206   2HE   LYS  24          1HE       LYS  24 -12.945  -1.023  -3.205
  207   1HZ   LYS  24          2HZ       LYS  24 -10.297  -2.024  -3.041
  208   2HZ   LYS  24          1HZ       LYS  24 -11.397  -3.300  -3.265
  209   3HZ   LYS  24          3HZ       LYS  24 -11.358  -2.012  -4.367
  210    HA   PRO  25           HA       PRO  25 -14.090  -2.835   3.458
  211   1HB   PRO  25          2HB       PRO  25 -12.954  -5.120   2.461
  212   2HB   PRO  25          1HB       PRO  25 -14.404  -4.390   1.746
  213   1HG   PRO  25          2HG       PRO  25 -11.656  -4.492   0.664
  214   2HG   PRO  25          1HG       PRO  25 -13.175  -4.157  -0.179
  215   1HD   PRO  25          2HD       PRO  25 -11.193  -2.249   0.741
  216   2HD   PRO  25          1HD       PRO  25 -12.685  -1.942  -0.149
  217    H    GLU  26           H        GLU  26 -11.088  -4.310   2.400
  218    HA   GLU  26           HA       GLU  26  -9.419  -3.271   4.544
  219   1HB   GLU  26          2HB       GLU  26  -9.846  -6.250   4.597
  220   2HB   GLU  26          1HB       GLU  26  -9.206  -5.198   5.856
  221   1HG   GLU  26          2HG       GLU  26 -11.444  -4.231   6.201
  222   2HG   GLU  26          1HG       GLU  26 -12.091  -5.255   4.914
  223    H    ALA  27           H        ALA  27  -8.672  -2.866   2.130
  224    HA   ALA  27           HA       ALA  27  -7.358  -5.225   0.967
  225   1HB   ALA  27          3HB       ALA  27  -7.995  -2.471   0.068
  226   2HB   ALA  27          2HB       ALA  27  -6.482  -3.131  -0.550
  227   3HB   ALA  27          1HB       ALA  27  -7.999  -3.980  -0.846
  228    H    GLN  28           H        GLN  28  -5.418  -5.826   1.775
  229    HA   GLN  28           HA       GLN  28  -3.758  -3.871   3.224
  230   1HB   GLN  28          2HB       GLN  28  -4.201  -6.564   3.571
  231   2HB   GLN  28          1HB       GLN  28  -2.651  -6.558   2.725
  232   1HG   GLN  28          2HG       GLN  28  -1.863  -4.821   4.401
  233   2HG   GLN  28          1HG       GLN  28  -3.339  -5.140   5.313
  234   1HE2  GLN  28          2HE2      GLN  28  -2.279  -8.610   5.980
  235   2HE2  GLN  28          1HE2      GLN  28  -3.655  -7.813   5.386
  236    H    ILE  29           H        ILE  29  -1.313  -3.969   2.686
  237    HA   ILE  29           HA       ILE  29  -0.890  -4.410  -0.207
  238    HB   ILE  29           HB       ILE  29  -1.526  -2.068  -0.051
  239   1HG1  ILE  29          2HG1      ILE  29   1.479  -2.154  -0.306
  240   2HG1  ILE  29          1HG1      ILE  29   0.425  -2.907  -1.504
  241   1HG2  ILE  29          2HG2      ILE  29   0.569  -2.039   2.123
  242   2HG2  ILE  29          1HG2      ILE  29   0.121  -0.562   1.268
  243   3HG2  ILE  29          3HG2      ILE  29  -1.094  -1.451   2.189
  244   1HD1  ILE  29          2HD1      ILE  29  -0.724  -0.750  -1.855
  245   2HD1  ILE  29          1HD1      ILE  29   0.332   0.007  -0.662
  246   3HD1  ILE  29          3HD1      ILE  29   1.004  -0.602  -2.175
  247    H    ILE  30           H        ILE  30   1.059  -5.254  -0.639
  248    HA   ILE  30           HA       ILE  30   2.940  -5.729   1.583
  249    HB   ILE  30           HB       ILE  30   2.730  -6.670  -1.283
  250   1HG1  ILE  30          2HG1      ILE  30   1.321  -7.765   0.443
  251   2HG1  ILE  30          1HG1      ILE  30   2.528  -8.873  -0.210
  252   1HG2  ILE  30          2HG2      ILE  30   5.097  -6.585   0.480
  253   2HG2  ILE  30          1HG2      ILE  30   4.763  -8.162  -0.242
  254   3HG2  ILE  30          3HG2      ILE  30   4.999  -6.751  -1.276
  255   1HD1  ILE  30          3HD1      ILE  30   3.998  -7.987   1.790
  256   2HD1  ILE  30          2HD1      ILE  30   2.437  -7.550   2.482
  257   3HD1  ILE  30          1HD1      ILE  30   2.781  -9.232   2.078
  258    H    VAL  31           H        VAL  31   4.224  -3.941   1.973
  259    HA   VAL  31           HA       VAL  31   5.029  -2.258  -0.294
  260    HB   VAL  31           HB       VAL  31   5.786  -1.957   2.620
  261   1HG1  VAL  31          1HG1      VAL  31   5.941  -0.236   0.156
  262   2HG1  VAL  31          3HG1      VAL  31   5.805   0.511   1.748
  263   3HG1  VAL  31          2HG1      VAL  31   7.177  -0.534   1.379
  264   1HG2  VAL  31          2HG2      VAL  31   3.329  -2.030   2.335
  265   2HG2  VAL  31          1HG2      VAL  31   3.867  -0.403   2.751
  266   3HG2  VAL  31          3HG2      VAL  31   3.438  -0.793   1.084
  267    H    LEU  32           H        LEU  32   7.130  -1.901  -0.954
  268    HA   LEU  32           HA       LEU  32   9.337  -3.451   0.250
  269   1HB   LEU  32          2HB       LEU  32   9.886  -4.551  -1.884
  270   2HB   LEU  32          1HB       LEU  32   8.262  -4.994  -1.381
  271    HG   LEU  32           HG       LEU  32   8.108  -2.598  -2.931
  272   1HD1  LEU  32          3HD1      LEU  32  10.341  -4.028  -3.688
  273   2HD1  LEU  32          2HD1      LEU  32   9.098  -4.701  -4.741
  274   3HD1  LEU  32          1HD1      LEU  32   9.420  -2.968  -4.755
  275   1HD2  LEU  32          2HD2      LEU  32   6.555  -4.719  -2.470
  276   2HD2  LEU  32          1HD2      LEU  32   6.396  -3.792  -3.959
  277   3HD2  LEU  32          3HD2      LEU  32   7.307  -5.301  -3.954
  278    HA   PRO  33           HA       PRO  33  11.610   0.007  -1.136
  279   1HB   PRO  33          2HB       PRO  33  14.068  -1.115  -1.612
  280   2HB   PRO  33          1HB       PRO  33  13.403  -0.845   0.006
  281   1HG   PRO  33          2HG       PRO  33  13.685  -3.399  -1.498
  282   2HG   PRO  33          1HG       PRO  33  13.644  -3.124   0.251
  283   1HD   PRO  33          2HD       PRO  33  11.501  -4.064  -1.335
  284   2HD   PRO  33          1HD       PRO  33  11.383  -3.486   0.340
  285    H    VAL  34           H        VAL  34  10.227  -1.668  -3.337
  286    HA   VAL  34           HA       VAL  34  10.023  -1.316  -5.644
  287    HB   VAL  34           HB       VAL  34  11.641   0.798  -4.831
  288   1HG1  VAL  34          3HG1      VAL  34  13.622  -0.565  -5.635
  289   2HG1  VAL  34          2HG1      VAL  34  12.944  -0.453  -7.260
  290   3HG1  VAL  34          1HG1      VAL  34  13.439   1.010  -6.406
  291   1HG2  VAL  34          1HG2      VAL  34   9.884   0.075  -6.991
  292   2HG2  VAL  34          3HG2      VAL  34  10.213   1.675  -6.325
  293   3HG2  VAL  34          2HG2      VAL  34  11.224   1.033  -7.622
  294    H    GLY  35           H        GLY  35  12.614  -2.845  -4.055
  295   1HA   GLY  35          2HA       GLY  35  14.208  -3.807  -6.177
  296   2HA   GLY  35          1HA       GLY  35  13.914  -4.694  -4.680
  297    H    THR  36           H        THR  36  14.077  -6.408  -6.619
  298    HA   THR  36           HA       THR  36  12.052  -6.857  -8.466
  299    HB   THR  36           HB       THR  36  12.408  -9.335  -7.981
  300    HG1  THR  36           HG1      THR  36  13.585  -8.177  -5.798
  301   1HG2  THR  36          2HG2      THR  36  14.504  -7.335  -8.678
  302   2HG2  THR  36          1HG2      THR  36  15.029  -8.999  -8.419
  303   3HG2  THR  36          3HG2      THR  36  13.821  -8.636  -9.654
  304    H    ILE  37           H        ILE  37  10.208  -8.528  -8.223
  305    HA   ILE  37           HA       ILE  37   8.538  -7.660  -5.956
  306    HB   ILE  37           HB       ILE  37   6.728  -8.819  -7.118
  307   1HG1  ILE  37          2HG1      ILE  37   7.903  -9.673  -9.523
  308   2HG1  ILE  37          1HG1      ILE  37   8.972 -10.276  -8.255
  309   1HG2  ILE  37          1HG2      ILE  37   8.490  -6.877  -8.445
  310   2HG2  ILE  37          3HG2      ILE  37   7.477  -7.784  -9.568
  311   3HG2  ILE  37          2HG2      ILE  37   6.737  -6.860  -8.261
  312   1HD1  ILE  37          3HD1      ILE  37   5.966 -10.617  -8.155
  313   2HD1  ILE  37          2HD1      ILE  37   7.038 -11.814  -8.883
  314   3HD1  ILE  37          1HD1      ILE  37   7.180 -11.432  -7.168
  315    H    VAL  38           H        VAL  38  10.721 -10.156  -6.557
  316    HA   VAL  38           HA       VAL  38   9.288 -12.147  -4.907
  317    HB   VAL  38           HB       VAL  38  11.139 -13.630  -5.434
  318   1HG1  VAL  38          3HG1      VAL  38   9.373 -13.087  -7.191
  319   2HG1  VAL  38          2HG1      VAL  38  10.561 -12.012  -7.926
  320   3HG1  VAL  38          1HG1      VAL  38  10.886 -13.742  -7.813
  321   1HG2  VAL  38          3HG2      VAL  38  12.450 -11.040  -6.141
  322   2HG2  VAL  38          2HG2      VAL  38  13.129 -12.458  -5.344
  323   3HG2  VAL  38          1HG2      VAL  38  12.891 -12.459  -7.092
  324    H    THR  39           H        THR  39   9.401 -11.867  -2.729
  325    HA   THR  39           HA       THR  39  11.926 -10.729  -1.599
  326    HB   THR  39           HB       THR  39   9.241 -10.855  -0.210
  327    HG1  THR  39           HG1      THR  39   9.449  -8.475  -0.858
  328   1HG2  THR  39          2HG2      THR  39  11.914  -9.986   0.475
  329   2HG2  THR  39          1HG2      THR  39  10.780  -8.639   0.579
  330   3HG2  THR  39          3HG2      THR  39  10.489 -10.111   1.506
  331   1H    GLU  41          1H        GLU  41  -9.338  -9.436  -9.095
  332   2H    GLU  41          3H        GLU  41  -9.933 -10.983  -9.456
  333   3H    GLU  41          2H        GLU  41  -9.149 -10.074 -10.658
  334    HA   GLU  41           HA       GLU  41 -10.912  -8.516 -10.775
  335   1HB   GLU  41          2HB       GLU  41 -11.136 -11.059 -11.633
  336   2HB   GLU  41          1HB       GLU  41 -12.503 -11.020 -10.520
  337   1HG   GLU  41          2HG       GLU  41 -13.691  -9.982 -12.126
  338   2HG   GLU  41          1HG       GLU  41 -12.623  -8.591 -11.939
  339    H    TYR  42           H        TYR  42 -10.564  -9.937  -7.786
  340    HA   TYR  42           HA       TYR  42 -13.187  -8.869  -6.845
  341   1HB   TYR  42          2HB       TYR  42 -12.755 -10.336  -4.824
  342   2HB   TYR  42          1HB       TYR  42 -12.981 -11.211  -6.333
  343    HD1  TYR  42           HD1      TYR  42 -11.058 -12.184  -7.538
  344    HD2  TYR  42           HD2      TYR  42 -10.605 -10.299  -3.706
  345    HE1  TYR  42           HE1      TYR  42  -8.839 -13.247  -7.279
  346    HE2  TYR  42           HE2      TYR  42  -8.385 -11.360  -3.446
  347    HH   TYR  42           HH       TYR  42  -6.602 -12.492  -5.747
  348    H    ARG  43           H        ARG  43 -12.067  -8.941  -4.024
  349    HA   ARG  43           HA       ARG  43 -10.592  -6.356  -4.223
  350   1HB   ARG  43          2HB       ARG  43 -11.485  -5.806  -2.079
  351   2HB   ARG  43          1HB       ARG  43 -12.826  -6.508  -2.984
  352   1HG   ARG  43          2HG       ARG  43 -11.422  -8.646  -1.708
  353   2HG   ARG  43          1HG       ARG  43 -11.712  -7.397  -0.496
  354   1HD   ARG  43          2HD       ARG  43 -14.032  -7.836  -2.228
  355   2HD   ARG  43          1HD       ARG  43 -13.558  -9.295  -1.358
  356    HE   ARG  43           HE       ARG  43 -13.560  -7.175   0.516
  357   1HH1  ARG  43          1HH2      ARG  43 -15.919  -7.643  -1.803
  358   2HH1  ARG  43          2HH2      ARG  43 -17.210  -7.965  -0.693
  359   1HH2  ARG  43          2HH1      ARG  43 -15.139  -8.127   2.083
  360   2HH2  ARG  43          1HH1      ARG  43 -16.767  -8.239   1.506
  361    H    ILE  44           H        ILE  44  -8.828  -8.360  -4.656
  362    HA   ILE  44           HA       ILE  44  -7.771  -9.814  -2.525
  363    HB   ILE  44           HB       ILE  44  -6.695  -9.991  -4.682
  364   1HG1  ILE  44          2HG1      ILE  44  -4.369  -8.754  -3.527
  365   2HG1  ILE  44          1HG1      ILE  44  -5.316  -9.497  -2.233
  366   1HG2  ILE  44          1HG2      ILE  44  -7.153  -7.467  -5.144
  367   2HG2  ILE  44          3HG2      ILE  44  -5.595  -7.201  -4.363
  368   3HG2  ILE  44          2HG2      ILE  44  -5.693  -8.185  -5.823
  369   1HD1  ILE  44          1HD1      ILE  44  -5.088 -11.158  -4.659
  370   2HD1  ILE  44          3HD1      ILE  44  -3.549 -10.851  -3.853
  371   3HD1  ILE  44          2HD1      ILE  44  -4.875 -11.603  -2.966
  372    H    ASP  45           H        ASP  45  -6.593  -9.307  -0.693
  373    HA   ASP  45           HA       ASP  45  -6.490  -6.418  -0.049
  374   1HB   ASP  45          2HB       ASP  45  -6.737  -7.026   2.191
  375   2HB   ASP  45          1HB       ASP  45  -7.606  -8.324   1.373
  376    H    ARG  46           H        ARG  46  -4.549  -7.223  -1.841
  377    HA   ARG  46           HA       ARG  46  -2.113  -6.672  -0.274
  378   1HB   ARG  46          2HB       ARG  46  -1.443  -8.843  -0.303
  379   2HB   ARG  46          1HB       ARG  46  -2.742  -9.301  -1.396
  380   1HG   ARG  46          2HG       ARG  46  -1.450  -8.754  -3.326
  381   2HG   ARG  46          1HG       ARG  46  -0.252  -7.883  -2.369
  382   1HD   ARG  46          2HD       ARG  46   0.701  -9.850  -1.529
  383   2HD   ARG  46          1HD       ARG  46  -0.751 -10.803  -1.846
  384    HE   ARG  46           HE       ARG  46   0.169  -9.947  -4.359
  385   1HH1  ARG  46          1HH2      ARG  46   2.446 -10.734  -2.135
  386   2HH1  ARG  46          2HH2      ARG  46   2.967 -12.212  -2.873
  387   1HH2  ARG  46          2HH1      ARG  46   0.345 -12.319  -5.137
  388   2HH2  ARG  46          1HH1      ARG  46   1.779 -13.107  -4.570
  389    H    VAL  47           H        VAL  47  -0.548  -5.581  -1.536
  390    HA   VAL  47           HA       VAL  47  -0.995  -5.280  -4.432
  391    HB   VAL  47           HB       VAL  47  -1.132  -2.908  -2.544
  392   1HG1  VAL  47          1HG1      VAL  47  -1.047  -3.211  -5.544
  393   2HG1  VAL  47          3HG1      VAL  47  -1.777  -1.801  -4.781
  394   3HG1  VAL  47          2HG1      VAL  47  -0.070  -2.155  -4.522
  395   1HG2  VAL  47          2HG2      VAL  47  -3.198  -4.272  -4.289
  396   2HG2  VAL  47          1HG2      VAL  47  -3.206  -4.170  -2.528
  397   3HG2  VAL  47          3HG2      VAL  47  -3.439  -2.714  -3.497
  398    H    ARG  48           H        ARG  48   0.810  -3.807  -5.370
  399    HA   ARG  48           HA       ARG  48   3.322  -4.477  -3.920
  400   1HB   ARG  48          2HB       ARG  48   2.608  -4.661  -6.615
  401   2HB   ARG  48          1HB       ARG  48   3.670  -3.249  -6.539
  402   1HG   ARG  48          2HG       ARG  48   4.979  -5.307  -6.904
  403   2HG   ARG  48          1HG       ARG  48   5.363  -4.586  -5.341
  404   1HD   ARG  48          2HD       ARG  48   4.551  -6.366  -4.193
  405   2HD   ARG  48          1HD       ARG  48   3.123  -6.481  -5.225
  406    HE   ARG  48           HE       ARG  48   5.664  -7.426  -6.402
  407   1HH1  ARG  48          1HH1      ARG  48   2.729  -9.785  -6.739
  408   2HH1  ARG  48          2HH1      ARG  48   2.867  -8.163  -7.332
  409   1HH2  ARG  48          1HH2      ARG  48   5.408  -9.500  -4.558
  410   2HH2  ARG  48          2HH2      ARG  48   4.167 -10.542  -5.172
  411    H    LEU  49           H        LEU  49   3.487  -2.764  -2.409
  412    HA   LEU  49           HA       LEU  49   3.249  -0.005  -3.423
  413   1HB   LEU  49          2HB       LEU  49   2.555  -0.885  -1.044
  414   2HB   LEU  49          1HB       LEU  49   4.259  -0.653  -0.677
  415    HG   LEU  49           HG       LEU  49   2.216   1.404  -1.489
  416   1HD1  LEU  49          2HD1      LEU  49   4.303   1.148   0.690
  417   2HD1  LEU  49          1HD1      LEU  49   3.345   2.604   0.420
  418   3HD1  LEU  49          3HD1      LEU  49   2.551   1.098   0.882
  419   1HD2  LEU  49          2HD2      LEU  49   4.198   1.630  -3.017
  420   2HD2  LEU  49          1HD2      LEU  49   4.025   3.001  -1.915
  421   3HD2  LEU  49          3HD2      LEU  49   5.234   1.757  -1.594
  422    H    PHE  50           H        PHE  50   5.020  -0.111  -4.906
  423    HA   PHE  50           HA       PHE  50   7.730  -0.674  -4.028
  424   1HB   PHE  50          2HB       PHE  50   6.395   0.525  -6.433
  425   2HB   PHE  50          1HB       PHE  50   8.135   0.767  -6.230
  426    HD1  PHE  50           HD1      PHE  50   7.122  -2.283  -4.691
  427    HD2  PHE  50           HD2      PHE  50   8.011  -0.527  -8.506
  428    HE1  PHE  50           HE1      PHE  50   7.474  -4.541  -5.655
  429    HE2  PHE  50           HE2      PHE  50   8.380  -2.781  -9.461
  430    HZ   PHE  50           HZ       PHE  50   8.110  -4.791  -8.035
  431    H    VAL  51           H        VAL  51   9.215   0.855  -3.175
  432    HA   VAL  51           HA       VAL  51   8.184   3.654  -2.959
  433    HB   VAL  51           HB       VAL  51   9.605   3.688  -0.786
  434   1HG1  VAL  51          3HG1      VAL  51   6.944   3.313  -1.292
  435   2HG1  VAL  51          2HG1      VAL  51   7.312   1.883  -0.330
  436   3HG1  VAL  51          1HG1      VAL  51   7.627   3.491   0.323
  437   1HG2  VAL  51          3HG2      VAL  51  10.193   1.103  -1.628
  438   2HG2  VAL  51          2HG2      VAL  51  10.472   1.746  -0.012
  439   3HG2  VAL  51          1HG2      VAL  51   8.988   0.860  -0.363
  440    H    ASP  52           H        ASP  52  10.351   4.950  -1.976
  441    HA   ASP  52           HA       ASP  52  12.537   4.302  -3.899
  442   1HB   ASP  52          2HB       ASP  52  12.300   6.278  -4.972
  443   2HB   ASP  52          1HB       ASP  52  10.770   6.454  -4.122
  444    H    LYS  53           H        LYS  53  14.284   6.271  -3.234
  445    HA   LYS  53           HA       LYS  53  15.775   5.374  -1.117
  446   1HB   LYS  53          2HB       LYS  53  15.442   8.287  -1.808
  447   2HB   LYS  53          1HB       LYS  53  16.909   7.481  -1.245
  448   1HG   LYS  53          2HG       LYS  53  16.618   6.030  -3.399
  449   2HG   LYS  53          1HG       LYS  53  15.563   7.342  -3.940
  450   1HD   LYS  53          2HD       LYS  53  17.457   8.945  -3.413
  451   2HD   LYS  53          1HD       LYS  53  18.490   7.537  -3.162
  452   1HE   LYS  53          2HE       LYS  53  17.020   7.288  -5.647
  453   2HE   LYS  53          1HE       LYS  53  17.933   8.797  -5.612
  454   1HZ   LYS  53          3HZ       LYS  53  19.453   6.635  -4.561
  455   2HZ   LYS  53          2HZ       LYS  53  18.924   6.294  -6.137
  456   3HZ   LYS  53          1HZ       LYS  53  19.830   7.697  -5.829
  457    H    LEU  54           H        LEU  54  13.852   8.383  -0.822
  458    HA   LEU  54           HA       LEU  54  13.686   7.944   2.093
  459   1HB   LEU  54          2HB       LEU  54  14.236  10.195   1.208
  460   2HB   LEU  54          1HB       LEU  54  12.670  10.245   0.398
  461    HG   LEU  54           HG       LEU  54  12.139   9.526   3.078
  462   1HD1  LEU  54          3HD1      LEU  54  14.550  10.531   3.316
  463   2HD1  LEU  54          2HD1      LEU  54  13.733  12.075   3.072
  464   3HD1  LEU  54          1HD1      LEU  54  13.287  11.047   4.434
  465   1HD2  LEU  54          2HD2      LEU  54  11.200  11.270   1.143
  466   2HD2  LEU  54          1HD2      LEU  54  10.573  11.141   2.785
  467   3HD2  LEU  54          3HD2      LEU  54  11.786  12.360   2.399
  468    H    ASP  55           H        ASP  55  12.249   5.996   0.763
  469    HA   ASP  55           HA       ASP  55  10.100   5.081   0.505
  470   1HB   ASP  55          2HB       ASP  55   8.663   6.519   2.494
  471   2HB   ASP  55          1HB       ASP  55   9.362   4.905   2.622
  472    H    ASN  56           H        ASN  56  10.301   6.820  -1.470
  473    HA   ASN  56           HA       ASN  56   7.945   8.641  -1.260
  474   1HB   ASN  56          2HB       ASN  56   9.829   9.912  -1.958
  475   2HB   ASN  56          1HB       ASN  56  10.368   8.643  -3.058
  476   1HD2  ASN  56          2HD2      ASN  56   8.763  10.359  -5.681
  477   2HD2  ASN  56          1HD2      ASN  56  10.199   9.678  -5.083
  478    H    ILE  57           H        ILE  57   6.296   7.250  -1.677
  479    HA   ILE  57           HA       ILE  57   6.102   5.090  -3.371
  480    HB   ILE  57           HB       ILE  57   3.952   7.222  -3.251
  481   1HG1  ILE  57          2HG1      ILE  57   4.697   5.058  -1.254
  482   2HG1  ILE  57          1HG1      ILE  57   4.662   6.798  -0.970
  483   1HG2  ILE  57          3HG2      ILE  57   4.024   4.246  -3.770
  484   2HG2  ILE  57          2HG2      ILE  57   2.539   5.065  -3.286
  485   3HG2  ILE  57          1HG2      ILE  57   3.346   5.518  -4.787
  486   1HD1  ILE  57          1HD1      ILE  57   2.208   5.243  -1.803
  487   2HD1  ILE  57          3HD1      ILE  57   2.639   5.503  -0.113
  488   3HD1  ILE  57          2HD1      ILE  57   2.280   6.881  -1.155
  489    H    ALA  58           H        ALA  58   7.421   5.341  -5.204
  490    HA   ALA  58           HA       ALA  58   6.823   7.503  -7.123
  491   1HB   ALA  58          3HB       ALA  58   8.985   5.565  -6.693
  492   2HB   ALA  58          2HB       ALA  58   8.538   5.726  -8.391
  493   3HB   ALA  58          1HB       ALA  58   9.037   7.146  -7.471
  494    H    GLN  59           H        GLN  59   5.861   4.282  -6.471
  495    HA   GLN  59           HA       GLN  59   4.413   4.203  -9.082
  496   1HB   GLN  59          2HB       GLN  59   6.394   2.364  -8.158
  497   2HB   GLN  59          1HB       GLN  59   4.834   1.542  -8.098
  498   1HG   GLN  59          2HG       GLN  59   4.454   2.507 -10.467
  499   2HG   GLN  59          1HG       GLN  59   6.193   2.813 -10.474
  500   1HE2  GLN  59          2HE2      GLN  59   5.264  -0.712 -11.716
  501   2HE2  GLN  59          1HE2      GLN  59   4.523   0.783 -12.039
  502    H    VAL  60           H        VAL  60   2.451   4.885  -8.201
  503    HA   VAL  60           HA       VAL  60   1.409   4.173  -5.686
  504    HB   VAL  60           HB       VAL  60   0.299   5.242  -8.223
  505   1HG1  VAL  60          3HG1      VAL  60  -1.374   3.773  -6.183
  506   2HG1  VAL  60          2HG1      VAL  60  -2.042   5.119  -7.106
  507   3HG1  VAL  60          1HG1      VAL  60  -1.455   3.684  -7.942
  508   1HG2  VAL  60          1HG2      VAL  60   0.017   5.932  -5.284
  509   2HG2  VAL  60          3HG2      VAL  60   1.109   6.701  -6.436
  510   3HG2  VAL  60          2HG2      VAL  60  -0.635   6.893  -6.610
  511    HA   PRO  61           HA       PRO  61   0.354  -0.084  -6.334
  512   1HB   PRO  61          2HB       PRO  61  -0.943  -0.401  -3.929
  513   2HB   PRO  61          1HB       PRO  61   0.821  -0.368  -4.088
  514   1HG   PRO  61          2HG       PRO  61  -1.010   1.713  -3.006
  515   2HG   PRO  61          1HG       PRO  61   0.708   1.445  -2.667
  516   1HD   PRO  61          2HD       PRO  61  -0.379   3.424  -4.394
  517   2HD   PRO  61          1HD       PRO  61   1.334   2.977  -4.244
  518    H    ARG  62           H        ARG  62  -1.648  -1.385  -6.559
  519    HA   ARG  62           HA       ARG  62  -4.190   0.154  -6.519
  520   1HB   ARG  62          2HB       ARG  62  -2.745  -0.357  -8.871
  521   2HB   ARG  62          1HB       ARG  62  -4.053  -1.540  -8.865
  522   1HG   ARG  62          2HG       ARG  62  -5.103   0.282  -9.863
  523   2HG   ARG  62          1HG       ARG  62  -5.521   0.536  -8.168
  524   1HD   ARG  62          2HD       ARG  62  -4.689   2.625  -9.194
  525   2HD   ARG  62          1HD       ARG  62  -3.602   2.069  -7.921
  526    HE   ARG  62           HE       ARG  62  -2.521   0.942 -10.188
  527   1HH1  ARG  62          2HH1      ARG  62  -3.283   4.079  -9.001
  528   2HH1  ARG  62          1HH1      ARG  62  -2.263   4.904 -10.131
  529   1HH2  ARG  62          1HH2      ARG  62  -1.292   2.012 -11.775
  530   2HH2  ARG  62          2HH2      ARG  62  -1.135   3.736 -11.699
  531    H    VAL  63           H        VAL  63  -5.883  -1.102  -5.800
  532    HA   VAL  63           HA       VAL  63  -5.334  -4.023  -5.481
  533    HB   VAL  63           HB       VAL  63  -6.269  -2.015  -3.651
  534   1HG1  VAL  63          3HG1      VAL  63  -8.195  -4.327  -4.032
  535   2HG1  VAL  63          2HG1      VAL  63  -8.230  -3.169  -2.700
  536   3HG1  VAL  63          1HG1      VAL  63  -8.556  -2.629  -4.348
  537   1HG2  VAL  63          3HG2      VAL  63  -5.071  -4.632  -3.686
  538   2HG2  VAL  63          2HG2      VAL  63  -5.029  -3.417  -2.409
  539   3HG2  VAL  63          1HG2      VAL  63  -6.348  -4.586  -2.470
  540    H    GLY  64           H        GLY  64  -6.983  -5.503  -6.090
  541   1HA   GLY  64          2HA       GLY  64  -9.327  -5.876  -6.831
  542   2HA   GLY  64          1HA       GLY  64  -9.246  -4.309  -7.640
   
  No H/Q in entry =         542
  Start of MODEL          13
 Raw file had  552 H/Q atoms
  Start of MODEL   13
    1   1H    MET   1          2H        MET   1 -12.702   7.090  -4.332
    2   2H    MET   1          1H        MET   1 -13.553   6.370  -5.614
    3   3H    MET   1          3H        MET   1 -14.293   6.542  -4.098
    4    HA   MET   1           HA       MET   1 -13.305   4.741  -3.229
    5   1HB   MET   1          2HB       MET   1 -12.736   4.198  -6.159
    6   2HB   MET   1          1HB       MET   1 -12.970   2.995  -4.890
    7   1HG   MET   1          2HG       MET   1 -15.134   5.009  -5.266
    8   2HG   MET   1          1HG       MET   1 -14.971   3.763  -6.503
    9   1HE   MET   1          3HE       MET   1 -16.304   4.943  -3.526
   10   2HE   MET   1          2HE       MET   1 -17.625   4.066  -4.293
   11   3HE   MET   1          1HE       MET   1 -17.082   3.595  -2.684
   12    H    LYS   2           H        LYS   2 -11.403   4.417  -2.181
   13    HA   LYS   2           HA       LYS   2  -8.935   5.552  -3.338
   14   1HB   LYS   2          2HB       LYS   2  -9.786   4.577  -0.636
   15   2HB   LYS   2          1HB       LYS   2  -8.063   4.621  -1.014
   16   1HG   LYS   2          2HG       LYS   2  -9.970   6.965  -1.285
   17   2HG   LYS   2          1HG       LYS   2  -8.818   6.739   0.031
   18   1HD   LYS   2          2HD       LYS   2  -7.126   6.466  -2.035
   19   2HD   LYS   2          1HD       LYS   2  -8.327   7.503  -2.807
   20   1HE   LYS   2          2HE       LYS   2  -7.122   8.130  -0.104
   21   2HE   LYS   2          1HE       LYS   2  -6.436   8.724  -1.617
   22   1HZ   LYS   2          3HZ       LYS   2  -9.149   9.233  -1.740
   23   2HZ   LYS   2          2HZ       LYS   2  -8.671   9.689  -0.174
   24   3HZ   LYS   2          1HZ       LYS   2  -7.902  10.364  -1.531
   25    H    THR   3           H        THR   3  -9.874   3.321  -4.771
   26    HA   THR   3           HA       THR   3  -8.294   0.991  -3.857
   27    HB   THR   3           HB       THR   3  -9.457   0.832  -6.539
   28    HG1  THR   3           HG1      THR   3 -11.412   1.450  -6.100
   29   1HG2  THR   3          2HG2      THR   3  -9.581  -0.684  -3.941
   30   2HG2  THR   3          1HG2      THR   3 -10.644  -1.106  -5.284
   31   3HG2  THR   3          3HG2      THR   3  -8.895  -1.192  -5.485
   32    H    GLU   4           H        GLU   4  -7.948   3.729  -5.894
   33    HA   GLU   4           HA       GLU   4  -5.775   2.443  -7.465
   34   1HB   GLU   4          2HB       GLU   4  -7.269   5.060  -7.718
   35   2HB   GLU   4          1HB       GLU   4  -5.801   4.736  -8.638
   36   1HG   GLU   4          2HG       GLU   4  -6.803   3.088  -9.930
   37   2HG   GLU   4          1HG       GLU   4  -7.976   2.674  -8.678
   38    H    TRP   5           H        TRP   5  -6.351   5.211  -5.323
   39    HA   TRP   5           HA       TRP   5  -4.818   6.439  -4.029
   40   1HB   TRP   5          2HB       TRP   5  -2.969   4.114  -4.628
   41   2HB   TRP   5          1HB       TRP   5  -2.760   5.315  -3.356
   42    HD1  TRP   5           HD1      TRP   5  -4.908   5.385  -1.532
   43    HE1  TRP   5           HE1      TRP   5  -6.077   3.359  -0.451
   44    HE3  TRP   5           HE3      TRP   5  -3.686   1.751  -4.920
   45    HZ2  TRP   5           HZ2      TRP   5  -6.420   0.561  -0.943
   46    HZ3  TRP   5           HZ3      TRP   5  -4.427  -0.582  -4.572
   47    HH2  TRP   5           HH2      TRP   5  -5.783  -1.182  -2.591
   48    HA   PRO   6           HA       PRO   6  -2.445   7.217  -8.069
   49   1HB   PRO   6          2HB       PRO   6  -4.091   9.091  -9.242
   50   2HB   PRO   6          1HB       PRO   6  -4.173   7.361  -9.619
   51   1HG   PRO   6          2HG       PRO   6  -6.004   9.007  -7.919
   52   2HG   PRO   6          1HG       PRO   6  -6.360   7.558  -8.876
   53   1HD   PRO   6          2HD       PRO   6  -6.006   7.593  -6.093
   54   2HD   PRO   6          1HD       PRO   6  -5.892   6.159  -7.126
   55    H    GLU   7           H        GLU   7  -4.442   9.131  -6.023
   56    HA   GLU   7           HA       GLU   7  -2.835  11.555  -6.092
   57   1HB   GLU   7          2HB       GLU   7  -4.685  10.525  -3.915
   58   2HB   GLU   7          1HB       GLU   7  -4.087  12.177  -4.069
   59   1HG   GLU   7          2HG       GLU   7  -5.852  10.732  -6.069
   60   2HG   GLU   7          1HG       GLU   7  -6.359  12.033  -4.989
   61    H    LEU   8           H        LEU   8  -2.436   8.437  -4.788
   62    HA   LEU   8           HA       LEU   8  -0.877   9.195  -2.471
   63   1HB   LEU   8          2HB       LEU   8  -2.116   6.985  -2.808
   64   2HB   LEU   8          1HB       LEU   8  -0.812   6.530  -3.904
   65    HG   LEU   8           HG       LEU   8   0.824   6.937  -2.078
   66   1HD1  LEU   8          2HD1      LEU   8  -1.572   8.026  -0.822
   67   2HD1  LEU   8          1HD1      LEU   8  -0.771   6.844   0.212
   68   3HD1  LEU   8          3HD1      LEU   8   0.118   8.246  -0.377
   69   1HD2  LEU   8          1HD2      LEU   8  -0.707   4.743  -2.505
   70   2HD2  LEU   8          3HD2      LEU   8   0.545   4.809  -1.269
   71   3HD2  LEU   8          2HD2      LEU   8  -1.139   5.086  -0.830
   72    H    VAL   9           H        VAL   9  -0.259   9.332  -5.771
   73    HA   VAL   9           HA       VAL   9   2.429   8.394  -5.914
   74    HB   VAL   9           HB       VAL   9   0.940  10.553  -7.430
   75   1HG1  VAL   9          1HG1      VAL   9   3.437  11.097  -7.185
   76   2HG1  VAL   9          3HG1      VAL   9   3.748   9.598  -8.068
   77   3HG1  VAL   9          2HG1      VAL   9   2.854  10.904  -8.843
   78   1HG2  VAL   9          2HG2      VAL   9   1.848   7.727  -7.927
   79   2HG2  VAL   9          1HG2      VAL   9   0.254   8.440  -8.177
   80   3HG2  VAL   9          3HG2      VAL   9   1.571   8.814  -9.288
   81    H    GLY  10           H        GLY  10   4.399   9.523  -5.625
   82   1HA   GLY  10          2HA       GLY  10   5.832  11.055  -4.602
   83   2HA   GLY  10          1HA       GLY  10   4.558  12.247  -4.848
   84    H    LYS  11           H        LYS  11   3.315   9.637  -3.085
   85    HA   LYS  11           HA       LYS  11   3.573  11.229  -0.580
   86   1HB   LYS  11          2HB       LYS  11   1.421   9.783  -1.782
   87   2HB   LYS  11          1HB       LYS  11   1.811   8.995  -0.256
   88   1HG   LYS  11          2HG       LYS  11   1.648  11.986  -0.330
   89   2HG   LYS  11          1HG       LYS  11   0.147  11.058  -0.324
   90   1HD   LYS  11          2HD       LYS  11   0.468  11.218   1.949
   91   2HD   LYS  11          1HD       LYS  11   1.418   9.763   1.647
   92   1HE   LYS  11          2HE       LYS  11   3.454  10.903   1.788
   93   2HE   LYS  11          1HE       LYS  11   2.718  12.461   1.412
   94   1HZ   LYS  11          2HZ       LYS  11   1.901  11.056   3.854
   95   2HZ   LYS  11          1HZ       LYS  11   3.391  11.872   3.841
   96   3HZ   LYS  11          3HZ       LYS  11   1.957  12.724   3.535
   97    H    SER  12           H        SER  12   2.988   8.895   1.139
   98    HA   SER  12           HA       SER  12   5.487   7.310   0.735
   99   1HB   SER  12          2HB       SER  12   4.956   9.256   2.787
  100   2HB   SER  12          1HB       SER  12   5.159   7.662   3.516
  101    HG   SER  12           HG       SER  12   7.028   9.277   2.597
  102    H    VAL  13           H        VAL  13   5.530   5.303   1.996
  103    HA   VAL  13           HA       VAL  13   3.214   3.725   1.740
  104    HB   VAL  13           HB       VAL  13   5.407   3.331   3.797
  105   1HG1  VAL  13          3HG1      VAL  13   3.100   1.780   2.926
  106   2HG1  VAL  13          2HG1      VAL  13   4.603   0.892   2.682
  107   3HG1  VAL  13          1HG1      VAL  13   4.186   1.493   4.287
  108   1HG2  VAL  13          2HG2      VAL  13   5.397   3.195   0.855
  109   2HG2  VAL  13          1HG2      VAL  13   6.759   3.304   1.969
  110   3HG2  VAL  13          3HG2      VAL  13   6.015   1.740   1.636
  111    H    GLU  14           H        GLU  14   4.267   5.774   4.415
  112    HA   GLU  14           HA       GLU  14   2.645   4.900   6.499
  113   1HB   GLU  14          2HB       GLU  14   3.050   7.788   5.653
  114   2HB   GLU  14          1HB       GLU  14   2.538   7.244   7.252
  115   1HG   GLU  14          2HG       GLU  14   5.205   6.772   5.904
  116   2HG   GLU  14          1HG       GLU  14   4.893   7.634   7.411
  117    H    GLU  15           H        GLU  15   1.611   7.510   4.284
  118    HA   GLU  15           HA       GLU  15  -1.172   7.277   4.906
  119   1HB   GLU  15          2HB       GLU  15   0.124   9.170   3.675
  120   2HB   GLU  15          1HB       GLU  15  -0.131   8.195   2.228
  121   1HG   GLU  15          2HG       GLU  15  -2.020   9.578   2.223
  122   2HG   GLU  15          1HG       GLU  15  -2.624   8.126   3.023
  123    H    ALA  16           H        ALA  16   0.889   5.596   2.591
  124    HA   ALA  16           HA       ALA  16  -1.265   4.476   1.053
  125   1HB   ALA  16          1HB       ALA  16   1.205   4.592   0.417
  126   2HB   ALA  16          3HB       ALA  16   1.448   3.194   1.456
  127   3HB   ALA  16          2HB       ALA  16   0.391   3.076   0.051
  128    H    LYS  17           H        LYS  17   0.899   2.371   2.967
  129    HA   LYS  17           HA       LYS  17  -0.899   0.304   3.397
  130   1HB   LYS  17          2HB       LYS  17   1.607   0.931   4.366
  131   2HB   LYS  17          1HB       LYS  17   0.623   0.973   5.829
  132   1HG   LYS  17          2HG       LYS  17   0.339  -1.315   3.898
  133   2HG   LYS  17          1HG       LYS  17   1.661  -1.306   5.065
  134   1HD   LYS  17          2HD       LYS  17  -0.651  -0.565   6.509
  135   2HD   LYS  17          1HD       LYS  17  -1.124  -1.930   5.497
  136   1HE   LYS  17          2HE       LYS  17   1.345  -1.898   7.256
  137   2HE   LYS  17          1HE       LYS  17  -0.195  -2.620   7.724
  138   1HZ   LYS  17          2HZ       LYS  17   0.270  -3.658   5.260
  139   2HZ   LYS  17          1HZ       LYS  17   1.823  -3.618   5.948
  140   3HZ   LYS  17          3HZ       LYS  17   0.571  -4.446   6.736
  141    H    LYS  18           H        LYS  18  -0.608   3.313   5.226
  142    HA   LYS  18           HA       LYS  18  -2.370   2.878   7.345
  143   1HB   LYS  18          2HB       LYS  18  -1.153   4.949   7.171
  144   2HB   LYS  18          1HB       LYS  18  -1.943   5.343   5.639
  145   1HG   LYS  18          2HG       LYS  18  -4.089   5.586   6.752
  146   2HG   LYS  18          1HG       LYS  18  -3.408   5.016   8.277
  147   1HD   LYS  18          2HD       LYS  18  -1.702   7.035   7.799
  148   2HD   LYS  18          1HD       LYS  18  -3.109   7.663   6.940
  149   1HE   LYS  18          2HE       LYS  18  -2.841   6.975   9.861
  150   2HE   LYS  18          1HE       LYS  18  -3.407   8.476   9.129
  151   1HZ   LYS  18          2HZ       LYS  18  -5.161   6.736   8.139
  152   2HZ   LYS  18          1HZ       LYS  18  -4.841   6.009   9.641
  153   3HZ   LYS  18          3HZ       LYS  18  -5.413   7.604   9.578
  154    H    VAL  19           H        VAL  19  -3.414   4.689   4.468
  155    HA   VAL  19           HA       VAL  19  -6.203   4.085   4.960
  156    HB   VAL  19           HB       VAL  19  -5.088   5.072   2.332
  157   1HG1  VAL  19          1HG1      VAL  19  -7.651   4.639   3.256
  158   2HG1  VAL  19          3HG1      VAL  19  -7.416   6.355   3.588
  159   3HG1  VAL  19          2HG1      VAL  19  -7.221   5.741   1.947
  160   1HG2  VAL  19          2HG2      VAL  19  -5.381   6.594   4.941
  161   2HG2  VAL  19          1HG2      VAL  19  -3.906   6.392   3.995
  162   3HG2  VAL  19          3HG2      VAL  19  -5.229   7.379   3.371
  163    H    ILE  20           H        ILE  20  -4.054   3.155   2.236
  164    HA   ILE  20           HA       ILE  20  -5.595   1.455   0.779
  165    HB   ILE  20           HB       ILE  20  -2.758   1.053   1.738
  166   1HG1  ILE  20          2HG1      ILE  20  -3.478   1.318  -1.119
  167   2HG1  ILE  20          1HG1      ILE  20  -3.796   2.742  -0.126
  168   1HG2  ILE  20          1HG2      ILE  20  -4.545  -0.864   0.393
  169   2HG2  ILE  20          3HG2      ILE  20  -3.022  -0.587  -0.452
  170   3HG2  ILE  20          2HG2      ILE  20  -3.015  -1.144   1.223
  171   1HD1  ILE  20          2HD1      ILE  20  -1.254   1.750   0.640
  172   2HD1  ILE  20          1HD1      ILE  20  -1.286   1.763  -1.123
  173   3HD1  ILE  20          3HD1      ILE  20  -1.610   3.243  -0.227
  174    H    LEU  21           H        LEU  21  -3.928   0.370   3.769
  175    HA   LEU  21           HA       LEU  21  -4.730  -2.230   4.014
  176   1HB   LEU  21          2HB       LEU  21  -3.520  -0.827   5.756
  177   2HB   LEU  21          1HB       LEU  21  -5.110  -0.275   6.294
  178    HG   LEU  21           HG       LEU  21  -5.002  -3.176   6.000
  179   1HD1  LEU  21          3HD1      LEU  21  -2.996  -1.770   7.768
  180   2HD1  LEU  21          2HD1      LEU  21  -3.591  -3.386   8.148
  181   3HD1  LEU  21          1HD1      LEU  21  -2.717  -3.099   6.644
  182   1HD2  LEU  21          3HD2      LEU  21  -5.791  -1.125   8.052
  183   2HD2  LEU  21          2HD2      LEU  21  -6.792  -2.336   7.251
  184   3HD2  LEU  21          1HD2      LEU  21  -5.670  -2.820   8.523
  185    H    GLN  22           H        GLN  22  -6.818   0.509   4.988
  186    HA   GLN  22           HA       GLN  22  -9.144  -1.296   4.480
  187   1HB   GLN  22          2HB       GLN  22  -8.403   0.194   6.900
  188   2HB   GLN  22          1HB       GLN  22 -10.060   0.481   6.371
  189   1HG   GLN  22          2HG       GLN  22 -10.720  -1.670   6.800
  190   2HG   GLN  22          1HG       GLN  22  -9.172  -2.356   6.302
  191   1HE2  GLN  22          2HE2      GLN  22  -9.036  -0.682  10.047
  192   2HE2  GLN  22          1HE2      GLN  22  -9.636   0.223   8.742
  193    H    ASP  23           H        ASP  23  -7.900   0.719   2.705
  194    HA   ASP  23           HA       ASP  23  -9.220   3.198   2.665
  195   1HB   ASP  23          2HB       ASP  23  -8.932   3.135   0.194
  196   2HB   ASP  23          1HB       ASP  23  -7.468   2.631   1.038
  197    H    LYS  24           H        LYS  24 -10.301   0.095   1.267
  198    HA   LYS  24           HA       LYS  24 -13.037   1.252   1.156
  199   1HB   LYS  24          2HB       LYS  24 -11.813  -1.034  -0.415
  200   2HB   LYS  24          1HB       LYS  24 -13.503  -0.539  -0.524
  201   1HG   LYS  24          2HG       LYS  24 -12.998   1.304  -1.755
  202   2HG   LYS  24          1HG       LYS  24 -11.529   1.635  -0.836
  203   1HD   LYS  24          2HD       LYS  24 -11.113   0.949  -3.229
  204   2HD   LYS  24          1HD       LYS  24 -10.308  -0.073  -2.039
  205   1HE   LYS  24          2HE       LYS  24 -11.324  -1.567  -3.611
  206   2HE   LYS  24          1HE       LYS  24 -12.338  -1.611  -2.171
  207   1HZ   LYS  24          1HZ       LYS  24 -13.607   0.276  -3.359
  208   2HZ   LYS  24          3HZ       LYS  24 -12.856  -0.311  -4.762
  209   3HZ   LYS  24          2HZ       LYS  24 -13.866  -1.329  -3.850
  210    HA   PRO  25           HA       PRO  25 -14.193  -2.368   3.720
  211   1HB   PRO  25          2HB       PRO  25 -13.612  -4.952   3.004
  212   2HB   PRO  25          1HB       PRO  25 -14.987  -4.053   2.338
  213   1HG   PRO  25          2HG       PRO  25 -12.399  -4.748   1.045
  214   2HG   PRO  25          1HG       PRO  25 -13.976  -4.433   0.304
  215   1HD   PRO  25          2HD       PRO  25 -11.805  -2.625   0.415
  216   2HD   PRO  25          1HD       PRO  25 -13.482  -2.242  -0.029
  217    H    GLU  26           H        GLU  26 -11.371  -4.161   2.489
  218    HA   GLU  26           HA       GLU  26  -9.638  -3.297   4.668
  219   1HB   GLU  26          2HB       GLU  26 -10.385  -6.232   4.585
  220   2HB   GLU  26          1HB       GLU  26  -9.380  -5.405   5.772
  221   1HG   GLU  26          2HG       GLU  26 -11.359  -4.077   6.487
  222   2HG   GLU  26          1HG       GLU  26 -12.352  -4.978   5.338
  223    H    ALA  27           H        ALA  27  -8.892  -2.844   2.241
  224    HA   ALA  27           HA       ALA  27  -7.613  -5.208   1.049
  225   1HB   ALA  27          1HB       ALA  27  -8.389  -2.553   0.134
  226   2HB   ALA  27          3HB       ALA  27  -6.734  -2.938  -0.337
  227   3HB   ALA  27          2HB       ALA  27  -8.058  -4.002  -0.812
  228    H    GLN  28           H        GLN  28  -5.644  -5.824   1.817
  229    HA   GLN  28           HA       GLN  28  -3.992  -3.869   3.287
  230   1HB   GLN  28          2HB       GLN  28  -2.969  -6.610   2.743
  231   2HB   GLN  28          1HB       GLN  28  -2.937  -5.674   4.239
  232   1HG   GLN  28          2HG       GLN  28  -5.610  -6.038   3.985
  233   2HG   GLN  28          1HG       GLN  28  -5.030  -7.506   3.200
  234   1HE2  GLN  28          2HE2      GLN  28  -5.140  -7.555   7.127
  235   2HE2  GLN  28          1HE2      GLN  28  -6.140  -6.642   6.104
  236    H    ILE  29           H        ILE  29  -1.597  -3.803   2.751
  237    HA   ILE  29           HA       ILE  29  -1.086  -4.292  -0.132
  238    HB   ILE  29           HB       ILE  29  -1.807  -1.958   0.057
  239   1HG1  ILE  29          2HG1      ILE  29   1.128  -1.667  -0.280
  240   2HG1  ILE  29          1HG1      ILE  29   0.333  -2.879  -1.289
  241   1HG2  ILE  29          2HG2      ILE  29  -1.012  -1.767   2.485
  242   2HG2  ILE  29          1HG2      ILE  29   0.602  -1.506   1.827
  243   3HG2  ILE  29          3HG2      ILE  29  -0.696  -0.371   1.453
  244   1HD1  ILE  29          2HD1      ILE  29  -1.419  -0.914  -1.663
  245   2HD1  ILE  29          1HD1      ILE  29  -0.032   0.093  -1.248
  246   3HD1  ILE  29          3HD1      ILE  29   0.056  -1.007  -2.625
  247    H    ILE  30           H        ILE  30   0.894  -5.116  -0.481
  248    HA   ILE  30           HA       ILE  30   2.722  -5.450   1.809
  249    HB   ILE  30           HB       ILE  30   2.628  -6.546  -1.008
  250   1HG1  ILE  30          2HG1      ILE  30   1.195  -7.495   0.875
  251   2HG1  ILE  30          1HG1      ILE  30   2.272  -8.653   0.092
  252   1HG2  ILE  30          1HG2      ILE  30   4.945  -6.182   0.704
  253   2HG2  ILE  30          3HG2      ILE  30   4.645  -7.892   0.395
  254   3HG2  ILE  30          2HG2      ILE  30   4.865  -6.778  -0.956
  255   1HD1  ILE  30          3HD1      ILE  30   3.326  -7.153   2.453
  256   2HD1  ILE  30          2HD1      ILE  30   2.159  -8.441   2.752
  257   3HD1  ILE  30          1HD1      ILE  30   3.673  -8.799   1.922
  258    H    VAL  31           H        VAL  31   4.245  -3.898   2.154
  259    HA   VAL  31           HA       VAL  31   5.025  -2.159  -0.115
  260    HB   VAL  31           HB       VAL  31   4.432  -0.937   1.867
  261   1HG1  VAL  31          3HG1      VAL  31   5.726  -3.195   3.169
  262   2HG1  VAL  31          2HG1      VAL  31   6.308  -1.663   3.821
  263   3HG1  VAL  31          1HG1      VAL  31   4.583  -2.029   3.837
  264   1HG2  VAL  31          3HG2      VAL  31   7.451  -1.139   1.620
  265   2HG2  VAL  31          2HG2      VAL  31   6.398  -0.053   0.711
  266   3HG2  VAL  31          1HG2      VAL  31   6.597   0.161   2.451
  267    H    LEU  32           H        LEU  32   7.074  -2.190  -0.991
  268    HA   LEU  32           HA       LEU  32   9.186  -3.711   0.421
  269   1HB   LEU  32          2HB       LEU  32   9.769  -4.833  -1.810
  270   2HB   LEU  32          1HB       LEU  32   8.377  -5.458  -0.954
  271    HG   LEU  32           HG       LEU  32   8.252  -3.484  -3.237
  272   1HD1  LEU  32          3HD1      LEU  32   7.862  -6.477  -3.025
  273   2HD1  LEU  32          2HD1      LEU  32   7.178  -5.546  -4.352
  274   3HD1  LEU  32          1HD1      LEU  32   8.927  -5.606  -4.123
  275   1HD2  LEU  32          2HD2      LEU  32   6.284  -4.503  -1.292
  276   2HD2  LEU  32          1HD2      LEU  32   6.181  -3.102  -2.359
  277   3HD2  LEU  32          3HD2      LEU  32   5.787  -4.709  -2.971
  278    HA   PRO  33           HA       PRO  33  11.664  -0.449  -1.060
  279   1HB   PRO  33          2HB       PRO  33  14.116  -1.632  -0.748
  280   2HB   PRO  33          1HB       PRO  33  13.137  -1.048   0.609
  281   1HG   PRO  33          2HG       PRO  33  13.602  -3.853  -0.305
  282   2HG   PRO  33          1HG       PRO  33  13.251  -3.247   1.324
  283   1HD   PRO  33          2HD       PRO  33  11.389  -4.472  -0.408
  284   2HD   PRO  33          1HD       PRO  33  10.989  -3.525   1.043
  285    H    VAL  34           H        VAL  34  10.679  -1.186  -3.346
  286    HA   VAL  34           HA       VAL  34  11.073  -1.837  -5.597
  287    HB   VAL  34           HB       VAL  34  13.614  -0.373  -4.835
  288   1HG1  VAL  34          1HG1      VAL  34  12.601  -1.509  -7.394
  289   2HG1  VAL  34          3HG1      VAL  34  13.283   0.116  -7.467
  290   3HG1  VAL  34          2HG1      VAL  34  14.261  -1.225  -6.870
  291   1HG2  VAL  34          3HG2      VAL  34  10.855   0.402  -5.235
  292   2HG2  VAL  34          2HG2      VAL  34  12.225   1.404  -4.748
  293   3HG2  VAL  34          1HG2      VAL  34  11.878   1.159  -6.460
  294    H    GLY  35           H        GLY  35  14.507  -2.012  -5.046
  295   1HA   GLY  35          2HA       GLY  35  15.948  -3.833  -5.496
  296   2HA   GLY  35          1HA       GLY  35  15.024  -4.561  -4.179
  297    H    THR  36           H        THR  36  15.498  -4.473  -7.624
  298    HA   THR  36           HA       THR  36  13.359  -5.671  -8.810
  299    HB   THR  36           HB       THR  36  15.144  -7.186 -10.005
  300    HG1  THR  36           HG1      THR  36  16.616  -6.781  -8.172
  301   1HG2  THR  36          3HG2      THR  36  14.291  -4.514 -10.274
  302   2HG2  THR  36          2HG2      THR  36  16.041  -4.484 -10.488
  303   3HG2  THR  36          1HG2      THR  36  15.047  -5.521 -11.509
  304    H    ILE  37           H        ILE  37  12.156  -6.870  -7.211
  305    HA   ILE  37           HA       ILE  37  11.689  -8.720  -5.798
  306    HB   ILE  37           HB       ILE  37  12.227 -10.846  -7.472
  307   1HG1  ILE  37          2HG1      ILE  37  11.739  -8.381  -9.178
  308   2HG1  ILE  37          1HG1      ILE  37  13.236  -9.314  -9.144
  309   1HG2  ILE  37          2HG2      ILE  37   9.935  -8.899  -7.261
  310   2HG2  ILE  37          1HG2      ILE  37   9.855 -10.282  -8.352
  311   3HG2  ILE  37          3HG2      ILE  37  10.051 -10.536  -6.618
  312   1HD1  ILE  37          3HD1      ILE  37  11.346 -11.270  -9.573
  313   2HD1  ILE  37          2HD1      ILE  37  10.689  -9.910 -10.487
  314   3HD1  ILE  37          1HD1      ILE  37  12.314 -10.507 -10.836
  315    H    VAL  38           H        VAL  38  13.653  -8.291  -4.409
  316    HA   VAL  38           HA       VAL  38  15.889 -10.186  -4.883
  317    HB   VAL  38           HB       VAL  38  15.472  -7.913  -2.928
  318   1HG1  VAL  38          3HG1      VAL  38  17.432 -10.173  -2.909
  319   2HG1  VAL  38          2HG1      VAL  38  18.019  -8.568  -2.478
  320   3HG1  VAL  38          1HG1      VAL  38  16.709  -9.305  -1.555
  321   1HG2  VAL  38          3HG2      VAL  38  17.320  -8.452  -5.265
  322   2HG2  VAL  38          2HG2      VAL  38  16.154  -7.140  -5.087
  323   3HG2  VAL  38          1HG2      VAL  38  17.618  -7.159  -4.104
  324    H    THR  39           H        THR  39  14.077  -9.215  -1.949
  325    HA   THR  39           HA       THR  39  13.210 -11.931  -1.409
  326    HB   THR  39           HB       THR  39  15.269 -10.832   0.511
  327    HG1  THR  39           HG1      THR  39  16.744 -11.481  -0.805
  328   1HG2  THR  39          1HG2      THR  39  13.458 -13.067   0.446
  329   2HG2  THR  39          3HG2      THR  39  15.120 -13.659   0.460
  330   3HG2  THR  39          2HG2      THR  39  14.558 -12.577   1.734
  331   1H    GLU  41          3H        GLU  41 -12.478  -6.171 -10.191
  332   2H    GLU  41          2H        GLU  41 -10.941  -6.897 -10.197
  333   3H    GLU  41          1H        GLU  41 -11.992  -7.114 -11.514
  334    HA   GLU  41           HA       GLU  41 -13.396  -8.530 -10.354
  335   1HB   GLU  41          2HB       GLU  41 -10.806  -9.204 -10.697
  336   2HB   GLU  41          1HB       GLU  41 -10.908  -9.348  -8.941
  337   1HG   GLU  41          2HG       GLU  41 -11.735 -11.422  -9.356
  338   2HG   GLU  41          1HG       GLU  41 -13.234 -10.578  -9.744
  339    H    TYR  42           H        TYR  42 -12.681  -9.791  -7.823
  340    HA   TYR  42           HA       TYR  42 -14.236  -8.238  -6.041
  341   1HB   TYR  42          2HB       TYR  42 -13.583  -9.784  -4.323
  342   2HB   TYR  42          1HB       TYR  42 -13.701 -10.701  -5.823
  343    HD1  TYR  42           HD1      TYR  42 -11.527 -11.061  -7.182
  344    HD2  TYR  42           HD2      TYR  42 -11.584  -9.769  -3.087
  345    HE1  TYR  42           HE1      TYR  42  -9.176 -11.781  -6.924
  346    HE2  TYR  42           HE2      TYR  42  -9.235 -10.493  -2.827
  347    HH   TYR  42           HH       TYR  42  -7.484 -12.060  -5.509
  348    H    ARG  43           H        ARG  43 -12.630  -8.173  -3.647
  349    HA   ARG  43           HA       ARG  43 -10.925  -5.818  -4.339
  350   1HB   ARG  43          2HB       ARG  43 -11.321  -5.051  -2.061
  351   2HB   ARG  43          1HB       ARG  43 -12.868  -5.420  -2.825
  352   1HG   ARG  43          2HG       ARG  43 -11.893  -7.825  -1.634
  353   2HG   ARG  43          1HG       ARG  43 -11.771  -6.542  -0.429
  354   1HD   ARG  43          2HD       ARG  43 -14.079  -6.094  -0.498
  355   2HD   ARG  43          1HD       ARG  43 -14.276  -6.860  -2.073
  356    HE   ARG  43           HE       ARG  43 -13.986  -9.052  -0.924
  357   1HH1  ARG  43          2HH1      ARG  43 -12.958  -7.350   1.562
  358   2HH1  ARG  43          1HH1      ARG  43 -14.235  -7.712   2.675
  359   1HH2  ARG  43          1HH2      ARG  43 -16.328  -9.043   0.251
  360   2HH2  ARG  43          2HH2      ARG  43 -16.142  -8.673   1.933
  361    H    ILE  44           H        ILE  44  -9.071  -7.293  -4.825
  362    HA   ILE  44           HA       ILE  44  -7.974  -9.159  -3.043
  363    HB   ILE  44           HB       ILE  44  -6.959  -8.714  -5.248
  364   1HG1  ILE  44          2HG1      ILE  44  -4.542  -8.131  -3.980
  365   2HG1  ILE  44          1HG1      ILE  44  -5.526  -8.843  -2.699
  366   1HG2  ILE  44          3HG2      ILE  44  -6.811  -6.015  -4.105
  367   2HG2  ILE  44          2HG2      ILE  44  -5.288  -6.538  -4.827
  368   3HG2  ILE  44          1HG2      ILE  44  -6.762  -6.519  -5.795
  369   1HD1  ILE  44          1HD1      ILE  44  -5.602 -10.201  -5.348
  370   2HD1  ILE  44          3HD1      ILE  44  -4.105 -10.344  -4.426
  371   3HD1  ILE  44          2HD1      ILE  44  -5.628 -10.891  -3.726
  372    H    ASP  45           H        ASP  45  -6.632  -8.964  -1.201
  373    HA   ASP  45           HA       ASP  45  -6.662  -6.244  -0.002
  374   1HB   ASP  45          2HB       ASP  45  -6.945  -7.216   2.097
  375   2HB   ASP  45          1HB       ASP  45  -7.819  -8.345   1.060
  376    H    ARG  46           H        ARG  46  -4.649  -7.152  -1.900
  377    HA   ARG  46           HA       ARG  46  -2.287  -6.566  -0.235
  378   1HB   ARG  46          2HB       ARG  46  -2.516  -9.092  -0.340
  379   2HB   ARG  46          1HB       ARG  46  -2.287  -8.971  -2.086
  380   1HG   ARG  46          2HG       ARG  46  -0.234  -7.412  -0.949
  381   2HG   ARG  46          1HG       ARG  46  -0.299  -8.888   0.016
  382   1HD   ARG  46          2HD       ARG  46  -0.552  -9.369  -2.873
  383   2HD   ARG  46          1HD       ARG  46   0.990  -8.644  -2.411
  384    HE   ARG  46           HE       ARG  46   1.342 -10.571  -0.898
  385   1HH1  ARG  46          1HH2      ARG  46  -1.803 -10.842  -2.001
  386   2HH1  ARG  46          2HH2      ARG  46  -1.687 -12.506  -2.471
  387   1HH2  ARG  46          2HH1      ARG  46   1.745 -12.675  -2.005
  388   2HH2  ARG  46          1HH1      ARG  46   0.320 -13.543  -2.473
  389    H    VAL  47           H        VAL  47  -0.685  -5.486  -1.445
  390    HA   VAL  47           HA       VAL  47  -0.973  -5.353  -4.381
  391    HB   VAL  47           HB       VAL  47  -0.863  -2.742  -2.894
  392   1HG1  VAL  47          3HG1      VAL  47  -1.752  -3.731  -5.596
  393   2HG1  VAL  47          2HG1      VAL  47  -2.229  -2.145  -4.991
  394   3HG1  VAL  47          1HG1      VAL  47  -0.521  -2.524  -5.221
  395   1HG2  VAL  47          2HG2      VAL  47  -3.298  -4.448  -3.392
  396   2HG2  VAL  47          1HG2      VAL  47  -2.786  -3.703  -1.879
  397   3HG2  VAL  47          3HG2      VAL  47  -3.395  -2.700  -3.195
  398    H    ARG  48           H        ARG  48   0.913  -4.044  -5.333
  399    HA   ARG  48           HA       ARG  48   3.343  -4.653  -3.739
  400   1HB   ARG  48          2HB       ARG  48   2.706  -4.818  -6.495
  401   2HB   ARG  48          1HB       ARG  48   3.939  -3.564  -6.328
  402   1HG   ARG  48          2HG       ARG  48   4.878  -5.883  -6.629
  403   2HG   ARG  48          1HG       ARG  48   5.413  -5.078  -5.155
  404   1HD   ARG  48          2HD       ARG  48   4.605  -7.542  -4.979
  405   2HD   ARG  48          1HD       ARG  48   4.015  -6.387  -3.783
  406    HE   ARG  48           HE       ARG  48   1.948  -6.211  -5.309
  407   1HH1  ARG  48          1HH2      ARG  48   1.967  -7.775  -7.491
  408   2HH1  ARG  48          2HH2      ARG  48   1.661  -9.408  -7.000
  409   1HH2  ARG  48          2HH1      ARG  48   2.426  -8.826  -3.666
  410   2HH2  ARG  48          1HH1      ARG  48   1.918 -10.002  -4.832
  411    H    LEU  49           H        LEU  49   2.832  -2.734  -2.288
  412    HA   LEU  49           HA       LEU  49   3.119  -0.091  -3.499
  413   1HB   LEU  49          2HB       LEU  49   1.855  -0.146  -1.461
  414   2HB   LEU  49          1HB       LEU  49   3.136  -1.013  -0.616
  415    HG   LEU  49           HG       LEU  49   4.555   0.880  -0.580
  416   1HD1  LEU  49          1HD1      LEU  49   2.678   2.151  -2.604
  417   2HD1  LEU  49          3HD1      LEU  49   4.080   2.942  -1.885
  418   3HD1  LEU  49          2HD1      LEU  49   4.302   1.547  -2.941
  419   1HD2  LEU  49          1HD2      LEU  49   1.666   1.619  -0.141
  420   2HD2  LEU  49          3HD2      LEU  49   2.906   1.268   1.062
  421   3HD2  LEU  49          2HD2      LEU  49   2.957   2.782   0.159
  422    H    PHE  50           H        PHE  50   5.068  -0.127  -4.574
  423    HA   PHE  50           HA       PHE  50   7.535  -0.948  -3.228
  424   1HB   PHE  50          2HB       PHE  50   6.724   0.110  -5.912
  425   2HB   PHE  50          1HB       PHE  50   8.428   0.222  -5.440
  426    HD1  PHE  50           HD1      PHE  50   9.602  -1.863  -4.658
  427    HD2  PHE  50           HD2      PHE  50   5.779  -1.973  -6.597
  428    HE1  PHE  50           HE1      PHE  50   9.939  -4.266  -5.172
  429    HE2  PHE  50           HE2      PHE  50   6.118  -4.370  -7.132
  430    HZ   PHE  50           HZ       PHE  50   8.198  -5.516  -6.423
  431    H    VAL  51           H        VAL  51   9.407   0.940  -3.646
  432    HA   VAL  51           HA       VAL  51   8.286   3.560  -2.819
  433    HB   VAL  51           HB       VAL  51  10.075   3.649  -0.985
  434   1HG1  VAL  51          2HG1      VAL  51   7.432   2.665  -1.009
  435   2HG1  VAL  51          1HG1      VAL  51   8.346   1.553   0.010
  436   3HG1  VAL  51          3HG1      VAL  51   8.325   3.277   0.383
  437   1HG2  VAL  51          1HG2      VAL  51  10.568   1.040  -2.101
  438   2HG2  VAL  51          3HG2      VAL  51  11.467   1.885  -0.841
  439   3HG2  VAL  51          2HG2      VAL  51  10.089   0.870  -0.413
  440    H    ASP  52           H        ASP  52  10.431   5.041  -2.359
  441    HA   ASP  52           HA       ASP  52  12.177   4.610  -4.744
  442   1HB   ASP  52          2HB       ASP  52  11.959   6.816  -5.372
  443   2HB   ASP  52          1HB       ASP  52  10.399   6.603  -4.587
  444    H    LYS  53           H        LYS  53  13.828   6.891  -4.053
  445    HA   LYS  53           HA       LYS  53  15.783   5.642  -2.405
  446   1HB   LYS  53          2HB       LYS  53  15.531   8.599  -2.890
  447   2HB   LYS  53          1HB       LYS  53  17.008   7.637  -2.767
  448   1HG   LYS  53          2HG       LYS  53  15.868   6.391  -4.853
  449   2HG   LYS  53          1HG       LYS  53  15.125   7.978  -5.060
  450   1HD   LYS  53          2HD       LYS  53  17.164   8.023  -6.323
  451   2HD   LYS  53          1HD       LYS  53  17.474   8.957  -4.858
  452   1HE   LYS  53          2HE       LYS  53  18.716   7.210  -3.863
  453   2HE   LYS  53          1HE       LYS  53  18.082   6.007  -4.987
  454   1HZ   LYS  53          1HZ       LYS  53  19.225   7.325  -6.776
  455   2HZ   LYS  53          3HZ       LYS  53  20.023   8.171  -5.542
  456   3HZ   LYS  53          2HZ       LYS  53  20.249   6.494  -5.704
  457    H    LEU  54           H        LEU  54  13.733   8.514  -1.761
  458    HA   LEU  54           HA       LEU  54  14.232   8.168   1.150
  459   1HB   LEU  54          2HB       LEU  54  14.283  10.424  -0.282
  460   2HB   LEU  54          1HB       LEU  54  12.553  10.388   0.061
  461    HG   LEU  54           HG       LEU  54  14.611  10.010   2.241
  462   1HD1  LEU  54          3HD1      LEU  54  14.284  12.350   0.720
  463   2HD1  LEU  54          2HD1      LEU  54  13.365  12.631   2.198
  464   3HD1  LEU  54          1HD1      LEU  54  15.076  12.216   2.289
  465   1HD2  LEU  54          2HD2      LEU  54  11.679  10.765   2.127
  466   2HD2  LEU  54          1HD2      LEU  54  12.393   9.334   2.872
  467   3HD2  LEU  54          3HD2      LEU  54  12.653  10.925   3.588
  468    H    ASP  55           H        ASP  55  12.584   6.197  -0.063
  469    HA   ASP  55           HA       ASP  55  10.449   5.229   0.088
  470   1HB   ASP  55          2HB       ASP  55   9.405   6.554   2.386
  471   2HB   ASP  55          1HB       ASP  55  10.107   4.938   2.292
  472    H    ASN  56           H        ASN  56  10.104   6.841  -1.829
  473    HA   ASN  56           HA       ASN  56   7.771   8.559  -1.128
  474   1HB   ASN  56          2HB       ASN  56   9.595  10.031  -1.755
  475   2HB   ASN  56          1HB       ASN  56   9.916   9.071  -3.203
  476   1HD2  ASN  56          2HD2      ASN  56   6.925  11.825  -3.234
  477   2HD2  ASN  56          1HD2      ASN  56   7.838  11.542  -1.831
  478    H    ILE  57           H        ILE  57   6.243   7.101  -1.620
  479    HA   ILE  57           HA       ILE  57   6.024   5.141  -3.482
  480    HB   ILE  57           HB       ILE  57   3.800   7.159  -3.134
  481   1HG1  ILE  57          2HG1      ILE  57   4.907   5.066  -1.247
  482   2HG1  ILE  57          1HG1      ILE  57   4.578   6.764  -0.912
  483   1HG2  ILE  57          2HG2      ILE  57   3.951   4.181  -3.677
  484   2HG2  ILE  57          1HG2      ILE  57   2.460   4.996  -3.210
  485   3HG2  ILE  57          3HG2      ILE  57   3.266   5.430  -4.716
  486   1HD1  ILE  57          2HD1      ILE  57   2.411   4.776  -1.624
  487   2HD1  ILE  57          1HD1      ILE  57   2.889   5.141   0.033
  488   3HD1  ILE  57          3HD1      ILE  57   2.209   6.408  -0.984
  489    H    ALA  58           H        ALA  58   7.273   5.590  -5.333
  490    HA   ALA  58           HA       ALA  58   6.433   7.785  -7.124
  491   1HB   ALA  58          2HB       ALA  58   8.867   6.691  -6.693
  492   2HB   ALA  58          1HB       ALA  58   8.345   5.697  -8.052
  493   3HB   ALA  58          3HB       ALA  58   8.427   7.451  -8.223
  494    H    GLN  59           H        GLN  59   5.869   4.406  -6.638
  495    HA   GLN  59           HA       GLN  59   4.486   4.243  -9.287
  496   1HB   GLN  59          2HB       GLN  59   6.352   2.560  -8.699
  497   2HB   GLN  59          1HB       GLN  59   5.209   1.888  -7.536
  498   1HG   GLN  59          2HG       GLN  59   3.690   2.157  -9.848
  499   2HG   GLN  59          1HG       GLN  59   5.260   1.621 -10.447
  500   1HE2  GLN  59          2HE2      GLN  59   3.430  -0.847  -7.702
  501   2HE2  GLN  59          1HE2      GLN  59   3.309   0.834  -7.504
  502    H    VAL  60           H        VAL  60   2.266   3.969  -9.244
  503    HA   VAL  60           HA       VAL  60   0.995   4.027  -6.588
  504    HB   VAL  60           HB       VAL  60  -0.183   4.228  -9.368
  505   1HG1  VAL  60          3HG1      VAL  60  -1.564   3.336  -7.251
  506   2HG1  VAL  60          2HG1      VAL  60  -1.633   5.060  -6.891
  507   3HG1  VAL  60          1HG1      VAL  60  -2.280   4.455  -8.415
  508   1HG2  VAL  60          2HG2      VAL  60   1.249   6.131  -8.688
  509   2HG2  VAL  60          1HG2      VAL  60  -0.447   6.608  -8.768
  510   3HG2  VAL  60          3HG2      VAL  60   0.311   6.303  -7.205
  511    HA   PRO  61           HA       PRO  61   0.082  -0.331  -6.901
  512   1HB   PRO  61          2HB       PRO  61  -1.053  -0.501  -4.413
  513   2HB   PRO  61          1HB       PRO  61   0.699  -0.471  -4.673
  514   1HG   PRO  61          2HG       PRO  61  -1.072   1.661  -3.598
  515   2HG   PRO  61          1HG       PRO  61   0.669   1.428  -3.366
  516   1HD   PRO  61          2HD       PRO  61  -0.576   3.279  -5.144
  517   2HD   PRO  61          1HD       PRO  61   1.154   2.890  -5.055
  518    H    ARG  62           H        ARG  62  -2.006  -1.620  -6.750
  519    HA   ARG  62           HA       ARG  62  -4.485  -0.017  -6.613
  520   1HB   ARG  62          2HB       ARG  62  -3.251  -0.850  -9.090
  521   2HB   ARG  62          1HB       ARG  62  -4.829  -1.615  -8.901
  522   1HG   ARG  62          2HG       ARG  62  -5.414   0.413  -9.891
  523   2HG   ARG  62          1HG       ARG  62  -5.590   0.791  -8.177
  524   1HD   ARG  62          2HD       ARG  62  -4.141   2.496  -8.520
  525   2HD   ARG  62          1HD       ARG  62  -2.888   1.268  -8.707
  526    HE   ARG  62           HE       ARG  62  -3.967   1.364 -11.220
  527   1HH1  ARG  62          1HH2      ARG  62  -4.932   3.925 -11.429
  528   2HH1  ARG  62          2HH2      ARG  62  -3.562   4.974 -11.581
  529   1HH2  ARG  62          2HH1      ARG  62  -1.307   2.640 -10.358
  530   2HH2  ARG  62          1HH1      ARG  62  -1.509   4.245 -10.975
  531    H    VAL  63           H        VAL  63  -6.243  -1.256  -5.943
  532    HA   VAL  63           HA       VAL  63  -5.680  -4.155  -5.464
  533    HB   VAL  63           HB       VAL  63  -6.824  -2.013  -3.793
  534   1HG1  VAL  63          2HG1      VAL  63  -8.151  -4.741  -3.815
  535   2HG1  VAL  63          1HG1      VAL  63  -8.396  -3.502  -2.582
  536   3HG1  VAL  63          3HG1      VAL  63  -8.920  -3.214  -4.243
  537   1HG2  VAL  63          2HG2      VAL  63  -5.125  -4.383  -3.600
  538   2HG2  VAL  63          1HG2      VAL  63  -5.128  -2.926  -2.608
  539   3HG2  VAL  63          3HG2      VAL  63  -6.237  -4.245  -2.240
  540    H    GLY  64           H        GLY  64  -7.723  -1.886  -7.051
  541   1HA   GLY  64          2HA       GLY  64 -10.024  -3.663  -7.316
  542   2HA   GLY  64          1HA       GLY  64  -9.779  -2.149  -8.190
   
  No H/Q in entry =         542
  Start of MODEL          14
 Raw file had  552 H/Q atoms
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1 -13.294   6.225  -4.632
    2   2H    MET   1          3H        MET   1 -14.457   4.991  -4.675
    3   3H    MET   1          2H        MET   1 -14.516   6.171  -3.453
    4    HA   MET   1           HA       MET   1 -13.100   5.075  -2.163
    5   1HB   MET   1          2HB       MET   1 -13.285   2.932  -4.302
    6   2HB   MET   1          1HB       MET   1 -12.899   2.687  -2.598
    7   1HG   MET   1          2HG       MET   1 -15.389   4.174  -2.977
    8   2HG   MET   1          1HG       MET   1 -15.442   2.572  -3.714
    9   1HE   MET   1          1HE       MET   1 -15.283   4.774  -0.801
   10   2HE   MET   1          3HE       MET   1 -16.883   4.022  -0.791
   11   3HE   MET   1          2HE       MET   1 -15.780   3.773   0.560
   12    H    LYS   2           H        LYS   2 -10.900   4.872  -1.776
   13    HA   LYS   2           HA       LYS   2  -9.118   5.675  -3.971
   14   1HB   LYS   2          2HB       LYS   2  -8.881   5.362  -1.000
   15   2HB   LYS   2          1HB       LYS   2  -7.409   5.370  -1.971
   16   1HG   LYS   2          2HG       LYS   2  -9.424   7.486  -2.560
   17   2HG   LYS   2          1HG       LYS   2  -8.519   7.637  -1.053
   18   1HD   LYS   2          2HD       LYS   2  -6.633   6.901  -3.020
   19   2HD   LYS   2          1HD       LYS   2  -7.634   8.155  -3.752
   20   1HE   LYS   2          2HE       LYS   2  -5.826   9.257  -2.596
   21   2HE   LYS   2          1HE       LYS   2  -7.295   9.526  -1.659
   22   1HZ   LYS   2          3HZ       LYS   2  -6.390   7.219  -0.630
   23   2HZ   LYS   2          2HZ       LYS   2  -4.931   8.010  -0.990
   24   3HZ   LYS   2          1HZ       LYS   2  -6.071   8.750   0.026
   25    H    THR   3           H        THR   3  -9.630   3.539  -5.107
   26    HA   THR   3           HA       THR   3  -8.293   1.163  -3.958
   27    HB   THR   3           HB       THR   3  -9.156   0.004  -5.934
   28    HG1  THR   3           HG1      THR   3  -9.344   2.606  -6.834
   29   1HG2  THR   3          1HG2      THR   3 -10.738   1.350  -4.011
   30   2HG2  THR   3          3HG2      THR   3 -11.580   1.512  -5.551
   31   3HG2  THR   3          2HG2      THR   3 -11.167  -0.089  -4.935
   32    H    GLU   4           H        GLU   4  -7.719   3.683  -6.329
   33    HA   GLU   4           HA       GLU   4  -5.366   2.244  -7.414
   34   1HB   GLU   4          2HB       GLU   4  -6.739   4.850  -8.115
   35   2HB   GLU   4          1HB       GLU   4  -5.172   4.420  -8.793
   36   1HG   GLU   4          2HG       GLU   4  -6.053   2.485  -9.878
   37   2HG   GLU   4          1HG       GLU   4  -7.555   2.564  -8.955
   38    H    TRP   5           H        TRP   5  -6.148   5.054  -5.424
   39    HA   TRP   5           HA       TRP   5  -4.724   6.359  -4.082
   40   1HB   TRP   5          2HB       TRP   5  -2.886   3.975  -4.466
   41   2HB   TRP   5          1HB       TRP   5  -2.697   5.229  -3.238
   42    HD1  TRP   5           HD1      TRP   5  -4.995   5.497  -1.597
   43    HE1  TRP   5           HE1      TRP   5  -6.320   3.585  -0.487
   44    HE3  TRP   5           HE3      TRP   5  -3.614   1.590  -4.610
   45    HZ2  TRP   5           HZ2      TRP   5  -6.729   0.772  -0.814
   46    HZ3  TRP   5           HZ3      TRP   5  -4.470  -0.685  -4.155
   47    HH2  TRP   5           HH2      TRP   5  -6.031  -1.105  -2.284
   48    HA   PRO   6           HA       PRO   6  -1.981   7.033  -7.917
   49   1HB   PRO   6          2HB       PRO   6  -3.531   8.794  -9.352
   50   2HB   PRO   6          1HB       PRO   6  -3.543   7.044  -9.640
   51   1HG   PRO   6          2HG       PRO   6  -5.569   8.733  -8.229
   52   2HG   PRO   6          1HG       PRO   6  -5.799   7.232  -9.143
   53   1HD   PRO   6          2HD       PRO   6  -5.739   7.414  -6.345
   54   2HD   PRO   6          1HD       PRO   6  -5.498   5.934  -7.284
   55    H    GLU   7           H        GLU   7  -4.247   9.004  -6.224
   56    HA   GLU   7           HA       GLU   7  -2.677  11.455  -6.263
   57   1HB   GLU   7          2HB       GLU   7  -5.072  10.443  -4.811
   58   2HB   GLU   7          1HB       GLU   7  -4.150  11.722  -4.022
   59   1HG   GLU   7          2HG       GLU   7  -4.445  12.356  -6.815
   60   2HG   GLU   7          1HG       GLU   7  -6.031  12.001  -6.130
   61    H    LEU   8           H        LEU   8  -2.362   8.436  -4.723
   62    HA   LEU   8           HA       LEU   8  -1.108   9.425  -2.289
   63   1HB   LEU   8          2HB       LEU   8  -2.297   7.209  -2.477
   64   2HB   LEU   8          1HB       LEU   8  -0.974   6.648  -3.499
   65    HG   LEU   8           HG       LEU   8   0.626   7.038  -1.691
   66   1HD1  LEU   8          1HD1      LEU   8  -1.823   8.081  -0.250
   67   2HD1  LEU   8          3HD1      LEU   8  -0.348   7.610   0.596
   68   3HD1  LEU   8          2HD1      LEU   8  -0.312   8.933  -0.570
   69   1HD2  LEU   8          2HD2      LEU   8  -1.297   5.043  -1.779
   70   2HD2  LEU   8          1HD2      LEU   8   0.139   5.030  -0.755
   71   3HD2  LEU   8          3HD2      LEU   8  -1.396   5.612  -0.111
   72    H    VAL   9           H        VAL   9  -0.140   9.219  -5.503
   73    HA   VAL   9           HA       VAL   9   2.520   8.306  -5.345
   74    HB   VAL   9           HB       VAL   9   1.233  10.438  -7.056
   75   1HG1  VAL   9          2HG1      VAL   9   3.665  11.000  -6.642
   76   2HG1  VAL   9          1HG1      VAL   9   4.084   9.416  -7.302
   77   3HG1  VAL   9          3HG1      VAL   9   3.301  10.618  -8.329
   78   1HG2  VAL   9          2HG2      VAL   9   1.531   7.591  -7.133
   79   2HG2  VAL   9          1HG2      VAL   9   0.715   8.632  -8.298
   80   3HG2  VAL   9          3HG2      VAL   9   2.434   8.279  -8.482
   81    H    GLY  10           H        GLY  10   4.501   9.470  -5.069
   82   1HA   GLY  10          2HA       GLY  10   5.892  11.083  -4.099
   83   2HA   GLY  10          1HA       GLY  10   4.531  12.199  -4.183
   84    H    LYS  11           H        LYS  11   3.356   9.549  -2.547
   85    HA   LYS  11           HA       LYS  11   3.845  10.926   0.038
   86   1HB   LYS  11          2HB       LYS  11   1.565   9.765  -1.071
   87   2HB   LYS  11          1HB       LYS  11   2.087   8.600   0.147
   88   1HG   LYS  11          2HG       LYS  11   1.331   9.938   1.791
   89   2HG   LYS  11          1HG       LYS  11   2.347  11.260   1.214
   90   1HD   LYS  11          2HD       LYS  11   0.453  11.438  -0.647
   91   2HD   LYS  11          1HD       LYS  11  -0.524  10.673   0.608
   92   1HE   LYS  11          2HE       LYS  11   1.199  12.977   1.410
   93   2HE   LYS  11          1HE       LYS  11  -0.255  13.329   0.475
   94   1HZ   LYS  11          2HZ       LYS  11  -1.206  11.597   2.261
   95   2HZ   LYS  11          1HZ       LYS  11   0.008  12.342   3.188
   96   3HZ   LYS  11          3HZ       LYS  11  -1.218  13.280   2.486
   97    H    SER  12           H        SER  12   3.279   8.453   1.574
   98    HA   SER  12           HA       SER  12   5.733   6.874   0.983
   99   1HB   SER  12          2HB       SER  12   5.180   8.549   3.373
  100   2HB   SER  12          1HB       SER  12   5.905   6.968   3.667
  101    HG   SER  12           HG       SER  12   7.458   7.589   1.999
  102    H    VAL  13           H        VAL  13   5.827   4.938   2.547
  103    HA   VAL  13           HA       VAL  13   3.589   3.275   2.158
  104    HB   VAL  13           HB       VAL  13   5.725   3.131   4.304
  105   1HG1  VAL  13          3HG1      VAL  13   3.339   1.628   3.995
  106   2HG1  VAL  13          2HG1      VAL  13   4.663   0.593   3.456
  107   3HG1  VAL  13          1HG1      VAL  13   4.690   1.289   5.076
  108   1HG2  VAL  13          3HG2      VAL  13   5.514   2.267   1.439
  109   2HG2  VAL  13          2HG2      VAL  13   6.890   2.963   2.296
  110   3HG2  VAL  13          1HG2      VAL  13   6.450   1.275   2.557
  111    H    GLU  14           H        GLU  14   4.401   5.356   4.923
  112    HA   GLU  14           HA       GLU  14   2.582   4.526   6.839
  113   1HB   GLU  14          2HB       GLU  14   2.215   7.166   7.120
  114   2HB   GLU  14          1HB       GLU  14   3.730   6.387   7.576
  115   1HG   GLU  14          2HG       GLU  14   3.553   7.154   4.729
  116   2HG   GLU  14          1HG       GLU  14   3.556   8.510   5.858
  117    H    GLU  15           H        GLU  15   1.677   7.242   4.712
  118    HA   GLU  15           HA       GLU  15  -1.121   6.964   5.033
  119   1HB   GLU  15          2HB       GLU  15   0.663   8.201   2.978
  120   2HB   GLU  15          1HB       GLU  15  -1.043   7.999   2.573
  121   1HG   GLU  15          2HG       GLU  15  -1.159  10.050   3.617
  122   2HG   GLU  15          1HG       GLU  15  -1.354   9.004   5.024
  123    H    ALA  16           H        ALA  16   1.057   5.397   2.703
  124    HA   ALA  16           HA       ALA  16  -0.941   4.225   1.063
  125   1HB   ALA  16          1HB       ALA  16   1.895   4.003   1.384
  126   2HB   ALA  16          3HB       ALA  16   1.220   2.375   1.326
  127   3HB   ALA  16          2HB       ALA  16   0.911   3.504   0.008
  128    H    LYS  17           H        LYS  17   0.983   2.078   3.155
  129    HA   LYS  17           HA       LYS  17  -0.928   0.070   3.391
  130   1HB   LYS  17          2HB       LYS  17   1.355  -0.164   4.268
  131   2HB   LYS  17          1HB       LYS  17   0.994   1.002   5.542
  132   1HG   LYS  17          2HG       LYS  17   0.356  -0.770   6.793
  133   2HG   LYS  17          1HG       LYS  17  -1.067  -0.855   5.754
  134   1HD   LYS  17          2HD       LYS  17  -0.341  -2.941   5.247
  135   2HD   LYS  17          1HD       LYS  17   0.837  -2.121   4.222
  136   1HE   LYS  17          2HE       LYS  17   2.165  -1.948   6.536
  137   2HE   LYS  17          1HE       LYS  17   1.209  -3.384   6.901
  138   1HZ   LYS  17          2HZ       LYS  17   2.836  -3.054   4.441
  139   2HZ   LYS  17          1HZ       LYS  17   3.378  -3.857   5.837
  140   3HZ   LYS  17          3HZ       LYS  17   2.053  -4.466   4.971
  141    H    LYS  18           H        LYS  18  -0.849   3.147   5.003
  142    HA   LYS  18           HA       LYS  18  -2.685   2.619   7.119
  143   1HB   LYS  18          2HB       LYS  18  -1.693   5.031   5.674
  144   2HB   LYS  18          1HB       LYS  18  -3.162   5.209   6.636
  145   1HG   LYS  18          2HG       LYS  18  -1.909   4.078   8.548
  146   2HG   LYS  18          1HG       LYS  18  -0.442   4.284   7.594
  147   1HD   LYS  18          2HD       LYS  18  -0.299   6.468   8.146
  148   2HD   LYS  18          1HD       LYS  18  -1.984   6.751   7.706
  149   1HE   LYS  18          2HE       LYS  18  -2.747   5.991   9.868
  150   2HE   LYS  18          1HE       LYS  18  -1.126   5.454  10.305
  151   1HZ   LYS  18          2HZ       LYS  18  -1.195   8.198   9.495
  152   2HZ   LYS  18          1HZ       LYS  18  -2.195   7.901  10.837
  153   3HZ   LYS  18          3HZ       LYS  18  -0.549   7.500  10.904
  154    H    VAL  19           H        VAL  19  -3.595   4.845   4.559
  155    HA   VAL  19           HA       VAL  19  -6.377   4.306   4.737
  156    HB   VAL  19           HB       VAL  19  -5.117   5.200   2.151
  157   1HG1  VAL  19          2HG1      VAL  19  -7.681   5.469   3.589
  158   2HG1  VAL  19          1HG1      VAL  19  -7.103   6.953   2.831
  159   3HG1  VAL  19          3HG1      VAL  19  -7.352   5.504   1.856
  160   1HG2  VAL  19          2HG2      VAL  19  -5.086   6.628   4.813
  161   2HG2  VAL  19          1HG2      VAL  19  -3.771   6.455   3.649
  162   3HG2  VAL  19          3HG2      VAL  19  -5.122   7.537   3.302
  163    H    ILE  20           H        ILE  20  -3.930   2.962   2.542
  164    HA   ILE  20           HA       ILE  20  -5.562   1.443   0.852
  165    HB   ILE  20           HB       ILE  20  -2.850   0.806   2.047
  166   1HG1  ILE  20          2HG1      ILE  20  -3.601   1.569  -0.785
  167   2HG1  ILE  20          1HG1      ILE  20  -3.185   2.767   0.441
  168   1HG2  ILE  20          1HG2      ILE  20  -4.680  -0.912   0.585
  169   2HG2  ILE  20          3HG2      ILE  20  -3.195  -0.652  -0.330
  170   3HG2  ILE  20          2HG2      ILE  20  -3.120  -1.307   1.306
  171   1HD1  ILE  20          1HD1      ILE  20  -1.266   0.562   0.329
  172   2HD1  ILE  20          3HD1      ILE  20  -1.378   1.441  -1.196
  173   3HD1  ILE  20          2HD1      ILE  20  -0.980   2.300   0.290
  174    H    LEU  21           H        LEU  21  -4.138   0.400   3.969
  175    HA   LEU  21           HA       LEU  21  -5.071  -2.120   4.334
  176   1HB   LEU  21          2HB       LEU  21  -3.955  -0.749   6.094
  177   2HB   LEU  21          1HB       LEU  21  -5.496   0.067   6.388
  178    HG   LEU  21           HG       LEU  21  -5.554  -2.904   6.410
  179   1HD1  LEU  21          1HD1      LEU  21  -3.437  -1.954   7.689
  180   2HD1  LEU  21          3HD1      LEU  21  -4.636  -1.522   8.907
  181   3HD1  LEU  21          2HD1      LEU  21  -4.436  -3.207   8.425
  182   1HD2  LEU  21          3HD2      LEU  21  -7.492  -1.301   6.856
  183   2HD2  LEU  21          2HD2      LEU  21  -7.222  -2.528   8.093
  184   3HD2  LEU  21          1HD2      LEU  21  -6.674  -0.873   8.358
  185    H    GLN  22           H        GLN  22  -7.138   0.761   4.385
  186    HA   GLN  22           HA       GLN  22  -9.475  -1.020   4.006
  187   1HB   GLN  22          2HB       GLN  22  -8.866   0.419   6.460
  188   2HB   GLN  22          1HB       GLN  22 -10.414   0.922   5.781
  189   1HG   GLN  22          2HG       GLN  22 -11.361  -1.184   5.993
  190   2HG   GLN  22          1HG       GLN  22  -9.806  -2.013   5.862
  191   1HE2  GLN  22          2HE2      GLN  22 -10.689  -2.299   9.425
  192   2HE2  GLN  22          1HE2      GLN  22 -11.198  -2.956   7.945
  193    H    ASP  23           H        ASP  23  -8.210   0.720   2.129
  194    HA   ASP  23           HA       ASP  23  -9.371   3.302   1.983
  195   1HB   ASP  23          2HB       ASP  23  -8.318   3.429  -0.035
  196   2HB   ASP  23          1HB       ASP  23  -7.591   1.902   0.449
  197    H    LYS  24           H        LYS  24 -10.534   0.166   0.750
  198    HA   LYS  24           HA       LYS  24 -13.223   1.428   0.581
  199   1HB   LYS  24          2HB       LYS  24 -13.463  -0.649  -1.185
  200   2HB   LYS  24          1HB       LYS  24 -13.119   1.008  -1.630
  201   1HG   LYS  24          2HG       LYS  24 -10.913   0.605  -2.082
  202   2HG   LYS  24          1HG       LYS  24 -10.762  -0.635  -0.851
  203   1HD   LYS  24          2HD       LYS  24 -10.663  -1.288  -3.390
  204   2HD   LYS  24          1HD       LYS  24 -11.556  -2.314  -2.273
  205   1HE   LYS  24          2HE       LYS  24 -13.659  -1.304  -2.924
  206   2HE   LYS  24          1HE       LYS  24 -12.826  -0.091  -3.896
  207   1HZ   LYS  24          3HZ       LYS  24 -11.840  -2.286  -4.976
  208   2HZ   LYS  24          2HZ       LYS  24 -13.338  -2.902  -4.463
  209   3HZ   LYS  24          1HZ       LYS  24 -13.281  -1.573  -5.518
  210    HA   PRO  25           HA       PRO  25 -14.298  -2.614   2.565
  211   1HB   PRO  25          2HB       PRO  25 -13.181  -5.001   1.815
  212   2HB   PRO  25          1HB       PRO  25 -14.538  -4.270   0.941
  213   1HG   PRO  25          2HG       PRO  25 -11.683  -4.465   0.130
  214   2HG   PRO  25          1HG       PRO  25 -13.127  -4.293  -0.877
  215   1HD   PRO  25          2HD       PRO  25 -11.303  -2.225  -0.175
  216   2HD   PRO  25          1HD       PRO  25 -12.868  -2.060  -0.985
  217    H    GLU  26           H        GLU  26 -11.264  -4.242   1.868
  218    HA   GLU  26           HA       GLU  26  -9.833  -3.133   4.149
  219   1HB   GLU  26          2HB       GLU  26 -10.320  -6.106   4.201
  220   2HB   GLU  26          1HB       GLU  26  -9.734  -5.060   5.493
  221   1HG   GLU  26          2HG       GLU  26 -11.949  -3.991   5.644
  222   2HG   GLU  26          1HG       GLU  26 -12.537  -5.014   4.331
  223    H    ALA  27           H        ALA  27  -8.976  -2.877   1.658
  224    HA   ALA  27           HA       ALA  27  -7.407  -5.222   0.849
  225   1HB   ALA  27          3HB       ALA  27  -8.279  -2.714  -0.391
  226   2HB   ALA  27          2HB       ALA  27  -6.602  -3.112  -0.762
  227   3HB   ALA  27          1HB       ALA  27  -7.887  -4.260  -1.148
  228    H    GLN  28           H        GLN  28  -5.462  -5.578   1.782
  229    HA   GLN  28           HA       GLN  28  -4.057  -3.377   3.143
  230   1HB   GLN  28          2HB       GLN  28  -4.339  -5.978   3.801
  231   2HB   GLN  28          1HB       GLN  28  -2.821  -6.071   2.898
  232   1HG   GLN  28          2HG       GLN  28  -1.752  -5.310   4.726
  233   2HG   GLN  28          1HG       GLN  28  -2.610  -3.780   4.537
  234   1HE2  GLN  28          2HE2      GLN  28  -4.582  -6.475   6.929
  235   2HE2  GLN  28          1HE2      GLN  28  -4.003  -6.974   5.413
  236    H    ILE  29           H        ILE  29  -1.450  -3.794   2.820
  237    HA   ILE  29           HA       ILE  29  -0.886  -4.127  -0.052
  238    HB   ILE  29           HB       ILE  29  -1.447  -1.740   0.193
  239   1HG1  ILE  29          2HG1      ILE  29   1.545  -1.977  -0.110
  240   2HG1  ILE  29          1HG1      ILE  29   0.451  -2.686  -1.296
  241   1HG2  ILE  29          3HG2      ILE  29  -0.713  -1.652   2.622
  242   2HG2  ILE  29          2HG2      ILE  29   0.950  -1.590   2.037
  243   3HG2  ILE  29          1HG2      ILE  29  -0.178  -0.294   1.631
  244   1HD1  ILE  29          1HD1      ILE  29   0.410   0.223  -0.448
  245   2HD1  ILE  29          3HD1      ILE  29   1.164  -0.383  -1.923
  246   3HD1  ILE  29          2HD1      ILE  29  -0.581  -0.517  -1.707
  247    H    ILE  30           H        ILE  30   1.167  -4.832  -0.439
  248    HA   ILE  30           HA       ILE  30   2.809  -5.614   1.879
  249    HB   ILE  30           HB       ILE  30   2.751  -6.222  -1.061
  250   1HG1  ILE  30          2HG1      ILE  30   1.518  -7.523   0.776
  251   2HG1  ILE  30          1HG1      ILE  30   2.514  -8.474  -0.326
  252   1HG2  ILE  30          1HG2      ILE  30   5.176  -6.069   0.563
  253   2HG2  ILE  30          3HG2      ILE  30   4.918  -7.673  -0.121
  254   3HG2  ILE  30          2HG2      ILE  30   5.000  -6.266  -1.184
  255   1HD1  ILE  30          3HD1      ILE  30   3.991  -7.454   2.002
  256   2HD1  ILE  30          2HD1      ILE  30   2.683  -8.560   2.427
  257   3HD1  ILE  30          1HD1      ILE  30   3.953  -9.079   1.318
  258    H    VAL  31           H        VAL  31   4.945  -4.790   2.203
  259    HA   VAL  31           HA       VAL  31   5.433  -2.244   0.753
  260    HB   VAL  31           HB       VAL  31   5.346  -2.095   3.214
  261   1HG1  VAL  31          2HG1      VAL  31   6.863  -4.521   2.999
  262   2HG1  VAL  31          1HG1      VAL  31   7.813  -3.341   3.901
  263   3HG1  VAL  31          3HG1      VAL  31   6.194  -3.774   4.450
  264   1HG2  VAL  31          1HG2      VAL  31   8.074  -1.723   1.942
  265   2HG2  VAL  31          3HG2      VAL  31   6.806  -0.511   2.125
  266   3HG2  VAL  31          2HG2      VAL  31   7.663  -1.113   3.545
  267    H    LEU  32           H        LEU  32   7.184  -2.022  -0.575
  268    HA   LEU  32           HA       LEU  32   9.405  -3.974  -0.363
  269   1HB   LEU  32          2HB       LEU  32   9.238  -4.045  -3.004
  270   2HB   LEU  32          1HB       LEU  32   8.303  -5.170  -2.037
  271    HG   LEU  32           HG       LEU  32   7.251  -2.517  -3.029
  272   1HD1  LEU  32          2HD1      LEU  32   7.867  -4.254  -4.781
  273   2HD1  LEU  32          1HD1      LEU  32   6.663  -5.308  -4.050
  274   3HD1  LEU  32          3HD1      LEU  32   6.167  -3.782  -4.775
  275   1HD2  LEU  32          2HD2      LEU  32   6.234  -4.660  -1.269
  276   2HD2  LEU  32          1HD2      LEU  32   5.657  -3.004  -1.461
  277   3HD2  LEU  32          3HD2      LEU  32   5.136  -4.256  -2.589
  278    HA   PRO  33           HA       PRO  33  11.616  -0.359  -1.304
  279   1HB   PRO  33          2HB       PRO  33  14.024  -1.517  -1.951
  280   2HB   PRO  33          1HB       PRO  33  13.414  -1.374  -0.293
  281   1HG   PRO  33          2HG       PRO  33  13.561  -3.787  -2.031
  282   2HG   PRO  33          1HG       PRO  33  13.543  -3.676  -0.263
  283   1HD   PRO  33          2HD       PRO  33  11.340  -4.360  -1.926
  284   2HD   PRO  33          1HD       PRO  33  11.274  -3.982  -0.192
  285    H    VAL  34           H        VAL  34  10.181  -1.855  -3.648
  286    HA   VAL  34           HA       VAL  34   9.980  -1.297  -5.925
  287    HB   VAL  34           HB       VAL  34  11.455   0.798  -4.914
  288   1HG1  VAL  34          1HG1      VAL  34  13.500  -0.607  -5.814
  289   2HG1  VAL  34          3HG1      VAL  34  12.988   0.027  -7.376
  290   3HG1  VAL  34          2HG1      VAL  34  13.441   1.135  -6.082
  291   1HG2  VAL  34          1HG2      VAL  34  10.480   0.185  -7.705
  292   2HG2  VAL  34          3HG2      VAL  34   9.680   1.141  -6.457
  293   3HG2  VAL  34          2HG2      VAL  34  11.122   1.765  -7.259
  294    H    GLY  35           H        GLY  35  12.470  -2.999  -4.462
  295   1HA   GLY  35          2HA       GLY  35  13.365  -4.069  -7.111
  296   2HA   GLY  35          1HA       GLY  35  14.441  -3.961  -5.716
  297    H    THR  36           H        THR  36  12.349  -4.796  -3.819
  298    HA   THR  36           HA       THR  36  12.759  -7.647  -3.992
  299    HB   THR  36           HB       THR  36  10.672  -6.304  -2.271
  300    HG1  THR  36           HG1      THR  36  12.362  -5.888  -0.817
  301   1HG2  THR  36          2HG2      THR  36  10.861  -8.789  -2.285
  302   2HG2  THR  36          1HG2      THR  36  12.546  -8.636  -1.788
  303   3HG2  THR  36          3HG2      THR  36  11.256  -8.091  -0.716
  304    H    ILE  37           H        ILE  37  11.826  -8.414  -5.925
  305    HA   ILE  37           HA       ILE  37   8.925  -8.820  -5.823
  306    HB   ILE  37           HB       ILE  37   8.946  -8.007  -8.379
  307   1HG1  ILE  37          2HG1      ILE  37  10.515  -5.742  -7.329
  308   2HG1  ILE  37          1HG1      ILE  37  11.461  -7.204  -7.600
  309   1HG2  ILE  37          3HG2      ILE  37   7.426  -7.248  -6.559
  310   2HG2  ILE  37          2HG2      ILE  37   8.671  -6.121  -6.020
  311   3HG2  ILE  37          1HG2      ILE  37   7.928  -5.920  -7.605
  312   1HD1  ILE  37          3HD1      ILE  37  10.217  -7.292  -9.893
  313   2HD1  ILE  37          2HD1      ILE  37   9.877  -5.589  -9.584
  314   3HD1  ILE  37          1HD1      ILE  37  11.546  -6.148  -9.694
  315    H    VAL  38           H        VAL  38  11.563 -10.323  -5.928
  316    HA   VAL  38           HA       VAL  38  10.827 -12.078  -8.238
  317    HB   VAL  38           HB       VAL  38  13.608 -11.399  -7.235
  318   1HG1  VAL  38          3HG1      VAL  38  13.318 -13.788  -7.919
  319   2HG1  VAL  38          2HG1      VAL  38  12.764 -13.232  -9.499
  320   3HG1  VAL  38          1HG1      VAL  38  14.414 -12.898  -8.976
  321   1HG2  VAL  38          1HG2      VAL  38  12.556  -9.661  -8.655
  322   2HG2  VAL  38          3HG2      VAL  38  13.896 -10.448  -9.490
  323   3HG2  VAL  38          2HG2      VAL  38  12.233 -10.877  -9.891
  324    H    THR  39           H        THR  39   9.988 -13.892  -7.326
  325    HA   THR  39           HA       THR  39  11.530 -15.159  -5.113
  326    HB   THR  39           HB       THR  39   9.161 -15.859  -4.246
  327    HG1  THR  39           HG1      THR  39   7.551 -14.816  -5.084
  328   1HG2  THR  39          3HG2      THR  39  10.275 -13.059  -3.947
  329   2HG2  THR  39          2HG2      THR  39   9.066 -13.772  -2.877
  330   3HG2  THR  39          1HG2      THR  39  10.686 -14.465  -2.964
  331   1H    GLU  41          1H        GLU  41 -14.652 -10.331 -10.140
  332   2H    GLU  41          3H        GLU  41 -13.716 -11.013 -11.379
  333   3H    GLU  41          2H        GLU  41 -14.287 -11.990 -10.111
  334    HA   GLU  41           HA       GLU  41 -12.079 -11.648  -9.542
  335   1HB   GLU  41          2HB       GLU  41 -12.506  -8.733 -10.270
  336   2HB   GLU  41          1HB       GLU  41 -10.990  -9.456  -9.731
  337   1HG   GLU  41          2HG       GLU  41 -11.702 -11.112 -11.809
  338   2HG   GLU  41          1HG       GLU  41 -12.270  -9.545 -12.382
  339    H    TYR  42           H        TYR  42 -11.239 -10.704  -7.484
  340    HA   TYR  42           HA       TYR  42 -13.483  -9.721  -5.769
  341   1HB   TYR  42          2HB       TYR  42 -12.323 -10.907  -3.895
  342   2HB   TYR  42          1HB       TYR  42 -12.858 -11.999  -5.169
  343    HD1  TYR  42           HD1      TYR  42 -11.213 -12.786  -6.907
  344    HD2  TYR  42           HD2      TYR  42 -10.000 -10.673  -3.369
  345    HE1  TYR  42           HE1      TYR  42  -8.891 -13.570  -7.236
  346    HE2  TYR  42           HE2      TYR  42  -7.677 -11.460  -3.697
  347    HH   TYR  42           HH       TYR  42  -6.428 -12.451  -6.344
  348    H    ARG  43           H        ARG  43 -11.669  -9.268  -3.509
  349    HA   ARG  43           HA       ARG  43 -10.114  -6.945  -4.582
  350   1HB   ARG  43          2HB       ARG  43 -10.718  -5.694  -2.589
  351   2HB   ARG  43          1HB       ARG  43 -12.196  -6.299  -3.337
  352   1HG   ARG  43          2HG       ARG  43 -11.468  -8.372  -1.652
  353   2HG   ARG  43          1HG       ARG  43 -11.038  -6.938  -0.718
  354   1HD   ARG  43          2HD       ARG  43 -13.230  -6.842  -0.153
  355   2HD   ARG  43          1HD       ARG  43 -13.501  -6.266  -1.798
  356    HE   ARG  43           HE       ARG  43 -13.549  -8.974  -2.143
  357   1HH1  ARG  43          1HH2      ARG  43 -14.297  -8.421   0.933
  358   2HH1  ARG  43          2HH2      ARG  43 -16.001  -8.717   0.832
  359   1HH2  ARG  43          2HH1      ARG  43 -16.068  -8.689  -2.637
  360   2HH2  ARG  43          1HH1      ARG  43 -17.004  -8.871  -1.189
  361    H    ILE  44           H        ILE  44  -8.288  -8.592  -4.586
  362    HA   ILE  44           HA       ILE  44  -7.340  -9.932  -2.321
  363    HB   ILE  44           HB       ILE  44  -6.124 -10.195  -4.386
  364   1HG1  ILE  44          2HG1      ILE  44  -3.942  -8.750  -3.139
  365   2HG1  ILE  44          1HG1      ILE  44  -4.915  -9.563  -1.908
  366   1HG2  ILE  44          3HG2      ILE  44  -5.588  -7.219  -4.140
  367   2HG2  ILE  44          2HG2      ILE  44  -4.800  -8.272  -5.314
  368   3HG2  ILE  44          1HG2      ILE  44  -6.544  -8.017  -5.388
  369   1HD1  ILE  44          1HD1      ILE  44  -4.727 -11.682  -3.180
  370   2HD1  ILE  44          3HD1      ILE  44  -3.735 -10.864  -4.388
  371   3HD1  ILE  44          2HD1      ILE  44  -3.138 -11.057  -2.740
  372    H    ASP  45           H        ASP  45  -6.299  -9.292  -0.454
  373    HA   ASP  45           HA       ASP  45  -6.327  -6.380   0.047
  374   1HB   ASP  45          2HB       ASP  45  -6.622  -6.889   2.306
  375   2HB   ASP  45          1HB       ASP  45  -7.404  -8.263   1.528
  376    H    ARG  46           H        ARG  46  -4.310  -7.151  -1.645
  377    HA   ARG  46           HA       ARG  46  -1.931  -6.469  -0.035
  378   1HB   ARG  46          2HB       ARG  46  -1.671  -8.813   0.059
  379   2HB   ARG  46          1HB       ARG  46  -2.301  -9.042  -1.570
  380   1HG   ARG  46          2HG       ARG  46  -0.259  -7.823  -2.433
  381   2HG   ARG  46          1HG       ARG  46   0.386  -7.882  -0.793
  382   1HD   ARG  46          2HD       ARG  46   1.283  -9.849  -1.588
  383   2HD   ARG  46          1HD       ARG  46  -0.280 -10.464  -1.051
  384    HE   ARG  46           HE       ARG  46  -0.699  -9.646  -3.685
  385   1HH1  ARG  46          2HH1      ARG  46   0.043 -12.387  -1.987
  386   2HH1  ARG  46          1HH1      ARG  46   0.802 -13.234  -3.294
  387   1HH2  ARG  46          1HH2      ARG  46   0.872 -10.472  -5.390
  388   2HH2  ARG  46          2HH2      ARG  46   1.273 -12.148  -5.220
  389    H    VAL  47           H        VAL  47  -0.412  -5.302  -1.303
  390    HA   VAL  47           HA       VAL  47  -0.722  -5.204  -4.236
  391    HB   VAL  47           HB       VAL  47  -1.216  -2.808  -2.457
  392   1HG1  VAL  47          3HG1      VAL  47  -0.400  -3.061  -5.344
  393   2HG1  VAL  47          2HG1      VAL  47  -1.416  -1.721  -4.826
  394   3HG1  VAL  47          1HG1      VAL  47   0.186  -1.934  -4.124
  395   1HG2  VAL  47          1HG2      VAL  47  -3.106  -4.392  -3.084
  396   2HG2  VAL  47          3HG2      VAL  47  -3.333  -2.717  -3.581
  397   3HG2  VAL  47          2HG2      VAL  47  -2.830  -3.927  -4.763
  398    H    ARG  48           H        ARG  48   1.177  -4.466  -5.286
  399    HA   ARG  48           HA       ARG  48   3.610  -4.656  -3.725
  400   1HB   ARG  48          2HB       ARG  48   3.073  -3.862  -6.589
  401   2HB   ARG  48          1HB       ARG  48   4.697  -3.942  -5.909
  402   1HG   ARG  48          2HG       ARG  48   2.724  -6.248  -5.912
  403   2HG   ARG  48          1HG       ARG  48   4.017  -6.047  -7.092
  404   1HD   ARG  48          2HD       ARG  48   5.692  -6.497  -5.536
  405   2HD   ARG  48          1HD       ARG  48   4.701  -6.008  -4.162
  406    HE   ARG  48           HE       ARG  48   3.336  -8.170  -4.850
  407   1HH1  ARG  48          2HH1      ARG  48   6.403  -7.781  -3.634
  408   2HH1  ARG  48          1HH1      ARG  48   6.960  -9.378  -4.003
  409   1HH2  ARG  48          1HH2      ARG  48   4.187 -10.189  -5.921
  410   2HH2  ARG  48          2HH2      ARG  48   5.706 -10.742  -5.298
  411    H    LEU  49           H        LEU  49   3.786  -2.984  -2.214
  412    HA   LEU  49           HA       LEU  49   3.387  -0.203  -3.096
  413   1HB   LEU  49          2HB       LEU  49   2.717  -0.730  -0.816
  414   2HB   LEU  49          1HB       LEU  49   4.322  -1.356  -0.452
  415    HG   LEU  49           HG       LEU  49   5.302   0.766  -0.445
  416   1HD1  LEU  49          2HD1      LEU  49   2.901   1.680  -2.057
  417   2HD1  LEU  49          1HD1      LEU  49   4.114   2.783  -1.410
  418   3HD1  LEU  49          3HD1      LEU  49   4.574   1.570  -2.606
  419   1HD2  LEU  49          2HD2      LEU  49   2.576   0.671   0.725
  420   2HD2  LEU  49          1HD2      LEU  49   4.123   1.011   1.501
  421   3HD2  LEU  49          3HD2      LEU  49   3.296   2.275   0.591
  422    H    PHE  50           H        PHE  50   5.010  -0.031  -4.686
  423    HA   PHE  50           HA       PHE  50   7.786  -0.655  -4.204
  424   1HB   PHE  50          2HB       PHE  50   6.154   0.682  -6.283
  425   2HB   PHE  50          1HB       PHE  50   7.840   1.211  -6.193
  426    HD1  PHE  50           HD2      PHE  50   6.547  -2.127  -5.293
  427    HD2  PHE  50           HD1      PHE  50   8.675   0.186  -8.205
  428    HE1  PHE  50           HE2      PHE  50   7.203  -4.216  -6.459
  429    HE2  PHE  50           HE1      PHE  50   9.333  -1.894  -9.382
  430    HZ   PHE  50           HZ       PHE  50   8.599  -4.098  -8.510
  431    H    VAL  51           H        VAL  51   9.397   1.366  -4.546
  432    HA   VAL  51           HA       VAL  51   8.453   3.676  -2.932
  433    HB   VAL  51           HB       VAL  51  10.700   3.575  -1.702
  434   1HG1  VAL  51          3HG1      VAL  51   8.477   2.942  -0.713
  435   2HG1  VAL  51          2HG1      VAL  51   8.779   1.278  -1.212
  436   3HG1  VAL  51          1HG1      VAL  51   9.831   2.047  -0.023
  437   1HG2  VAL  51          1HG2      VAL  51  11.583   1.850  -3.382
  438   2HG2  VAL  51          3HG2      VAL  51  11.883   1.502  -1.680
  439   3HG2  VAL  51          2HG2      VAL  51  10.584   0.670  -2.534
  440    H    ASP  52           H        ASP  52  10.641   5.229  -2.834
  441    HA   ASP  52           HA       ASP  52  11.788   5.209  -5.576
  442   1HB   ASP  52          2HB       ASP  52  10.986   7.268  -6.166
  443   2HB   ASP  52          1HB       ASP  52   9.712   6.848  -5.030
  444    H    LYS  53           H        LYS  53  13.121   7.705  -5.254
  445    HA   LYS  53           HA       LYS  53  15.594   7.069  -4.262
  446   1HB   LYS  53          2HB       LYS  53  14.259   9.753  -3.946
  447   2HB   LYS  53          1HB       LYS  53  15.984   9.451  -4.157
  448   1HG   LYS  53          2HG       LYS  53  15.332   8.357  -6.396
  449   2HG   LYS  53          1HG       LYS  53  13.748   9.105  -6.167
  450   1HD   LYS  53          2HD       LYS  53  15.037  10.635  -7.491
  451   2HD   LYS  53          1HD       LYS  53  14.959  11.316  -5.865
  452   1HE   LYS  53          2HE       LYS  53  17.185  10.093  -5.437
  453   2HE   LYS  53          1HE       LYS  53  17.274   9.902  -7.188
  454   1HZ   LYS  53          1HZ       LYS  53  16.585  12.535  -6.742
  455   2HZ   LYS  53          3HZ       LYS  53  17.806  12.197  -5.615
  456   3HZ   LYS  53          2HZ       LYS  53  18.088  11.944  -7.270
  457    H    LEU  54           H        LEU  54  13.429   9.198  -2.371
  458    HA   LEU  54           HA       LEU  54  14.723   8.192   0.102
  459   1HB   LEU  54          2HB       LEU  54  13.675  10.723  -0.767
  460   2HB   LEU  54          1HB       LEU  54  12.821  10.214   0.690
  461    HG   LEU  54           HG       LEU  54  14.931  11.530   1.131
  462   1HD1  LEU  54          2HD1      LEU  54  13.982   9.114   2.323
  463   2HD1  LEU  54          1HD1      LEU  54  15.745   9.093   2.391
  464   3HD1  LEU  54          3HD1      LEU  54  14.851  10.440   3.098
  465   1HD2  LEU  54          1HD2      LEU  54  16.068  10.190  -0.852
  466   2HD2  LEU  54          3HD2      LEU  54  17.027  10.707   0.535
  467   3HD2  LEU  54          2HD2      LEU  54  16.457   9.042   0.429
  468    H    ASP  55           H        ASP  55  13.140   6.239  -0.865
  469    HA   ASP  55           HA       ASP  55  11.218   4.939  -0.456
  470   1HB   ASP  55          2HB       ASP  55  10.503   5.666   2.161
  471   2HB   ASP  55          1HB       ASP  55  11.557   4.332   1.690
  472    H    ASN  56           H        ASN  56  10.385   6.879  -1.949
  473    HA   ASN  56           HA       ASN  56   7.963   7.995  -0.592
  474   1HB   ASN  56          2HB       ASN  56   9.483   9.815  -1.195
  475   2HB   ASN  56          1HB       ASN  56   9.594   9.201  -2.844
  476   1HD2  ASN  56          2HD2      ASN  56   6.977  11.898  -2.728
  477   2HD2  ASN  56          1HD2      ASN  56   8.626  11.843  -2.330
  478    H    ILE  57           H        ILE  57   6.281   6.868  -1.245
  479    HA   ILE  57           HA       ILE  57   5.947   4.973  -3.138
  480    HB   ILE  57           HB       ILE  57   3.915   7.159  -2.637
  481   1HG1  ILE  57          2HG1      ILE  57   4.554   4.588  -1.160
  482   2HG1  ILE  57          1HG1      ILE  57   4.684   6.229  -0.530
  483   1HG2  ILE  57          1HG2      ILE  57   3.897   4.573  -4.073
  484   2HG2  ILE  57          3HG2      ILE  57   2.551   4.814  -2.961
  485   3HG2  ILE  57          2HG2      ILE  57   2.838   5.970  -4.259
  486   1HD1  ILE  57          3HD1      ILE  57   2.037   5.846  -1.568
  487   2HD1  ILE  57          2HD1      ILE  57   2.414   4.524  -0.466
  488   3HD1  ILE  57          1HD1      ILE  57   2.526   6.194   0.090
  489    H    ALA  58           H        ALA  58   7.262   5.382  -4.967
  490    HA   ALA  58           HA       ALA  58   6.536   7.627  -6.748
  491   1HB   ALA  58          1HB       ALA  58   8.762   5.679  -6.539
  492   2HB   ALA  58          3HB       ALA  58   8.304   6.128  -8.182
  493   3HB   ALA  58          2HB       ALA  58   8.794   7.372  -7.033
  494    H    GLN  59           H        GLN  59   5.846   4.278  -6.282
  495    HA   GLN  59           HA       GLN  59   4.543   4.138  -8.970
  496   1HB   GLN  59          2HB       GLN  59   6.199   2.297  -7.577
  497   2HB   GLN  59          1HB       GLN  59   4.575   1.611  -7.593
  498   1HG   GLN  59          2HG       GLN  59   4.691   2.461 -10.141
  499   2HG   GLN  59          1HG       GLN  59   6.412   2.193  -9.864
  500   1HE2  GLN  59          2HE2      GLN  59   4.336  -0.982 -10.803
  501   2HE2  GLN  59          1HE2      GLN  59   4.058   0.614 -11.309
  502    H    VAL  60           H        VAL  60   2.315   3.830  -9.036
  503    HA   VAL  60           HA       VAL  60   0.903   4.150  -6.472
  504    HB   VAL  60           HB       VAL  60  -0.031   4.173  -9.346
  505   1HG1  VAL  60          1HG1      VAL  60  -1.545   3.570  -7.044
  506   2HG1  VAL  60          3HG1      VAL  60  -1.898   5.255  -7.419
  507   3HG1  VAL  60          2HG1      VAL  60  -2.163   4.009  -8.637
  508   1HG2  VAL  60          1HG2      VAL  60   1.344   6.093  -8.212
  509   2HG2  VAL  60          3HG2      VAL  60  -0.108   6.504  -9.125
  510   3HG2  VAL  60          2HG2      VAL  60  -0.164   6.430  -7.363
  511    HA   PRO  61           HA       PRO  61  -0.151  -0.201  -6.431
  512   1HB   PRO  61          2HB       PRO  61  -1.453  -0.099  -4.015
  513   2HB   PRO  61          1HB       PRO  61   0.312  -0.131  -4.157
  514   1HG   PRO  61          2HG       PRO  61  -1.464   2.140  -3.428
  515   2HG   PRO  61          1HG       PRO  61   0.247   1.887  -3.045
  516   1HD   PRO  61          2HD       PRO  61  -0.810   3.583  -5.083
  517   2HD   PRO  61          1HD       PRO  61   0.899   3.165  -4.828
  518    H    ARG  62           H        ARG  62  -2.346  -1.394  -6.364
  519    HA   ARG  62           HA       ARG  62  -4.635   0.459  -6.722
  520   1HB   ARG  62          2HB       ARG  62  -3.364  -1.119  -8.787
  521   2HB   ARG  62          1HB       ARG  62  -5.072  -1.520  -8.622
  522   1HG   ARG  62          2HG       ARG  62  -4.885   0.310 -10.198
  523   2HG   ARG  62          1HG       ARG  62  -5.586   0.942  -8.708
  524   1HD   ARG  62          2HD       ARG  62  -3.857   2.379  -8.457
  525   2HD   ARG  62          1HD       ARG  62  -2.706   1.049  -8.554
  526    HE   ARG  62           HE       ARG  62  -3.808   2.319 -11.022
  527   1HH1  ARG  62          1HH2      ARG  62  -1.809  -0.106 -10.648
  528   2HH1  ARG  62          2HH2      ARG  62  -0.342   0.672 -11.138
  529   1HH2  ARG  62          2HH1      ARG  62  -1.668   3.871 -10.973
  530   2HH2  ARG  62          1HH1      ARG  62  -0.261   2.923 -11.319
  531    H    VAL  63           H        VAL  63  -3.646  -2.910  -6.424
  532    HA   VAL  63           HA       VAL  63  -4.574  -4.590  -5.048
  533    HB   VAL  63           HB       VAL  63  -5.502  -2.186  -3.896
  534   1HG1  VAL  63          1HG1      VAL  63  -7.756  -4.196  -4.161
  535   2HG1  VAL  63          3HG1      VAL  63  -7.763  -2.790  -3.096
  536   3HG1  VAL  63          2HG1      VAL  63  -7.736  -2.572  -4.847
  537   1HG2  VAL  63          2HG2      VAL  63  -4.895  -4.919  -3.161
  538   2HG2  VAL  63          1HG2      VAL  63  -4.694  -3.441  -2.221
  539   3HG2  VAL  63          3HG2      VAL  63  -6.236  -4.295  -2.203
  540    H    GLY  64           H        GLY  64  -6.005  -3.066  -7.652
  541   1HA   GLY  64          2HA       GLY  64  -7.291  -4.249  -9.307
  542   2HA   GLY  64          1HA       GLY  64  -7.810  -5.382  -8.057
   
  No H/Q in entry =         542
  Start of MODEL          15
 Raw file had  552 H/Q atoms
  Start of MODEL   15
    1   1H    MET   1          2H        MET   1 -13.574   5.065  -3.906
    2   2H    MET   1          1H        MET   1 -15.007   4.235  -4.291
    3   3H    MET   1          3H        MET   1 -14.297   4.034  -2.765
    4    HA   MET   1           HA       MET   1 -13.306   2.235  -3.579
    5   1HB   MET   1          2HB       MET   1 -13.288   1.779  -6.042
    6   2HB   MET   1          1HB       MET   1 -14.900   2.132  -5.417
    7   1HG   MET   1          2HG       MET   1 -14.018   4.643  -6.042
    8   2HG   MET   1          1HG       MET   1 -13.229   3.684  -7.294
    9   1HE   MET   1          1HE       MET   1 -15.904   5.186  -5.720
   10   2HE   MET   1          3HE       MET   1 -17.059   5.451  -7.034
   11   3HE   MET   1          2HE       MET   1 -17.313   4.141  -5.883
   12    H    LYS   2           H        LYS   2 -11.488   3.646  -2.610
   13    HA   LYS   2           HA       LYS   2  -9.643   4.823  -4.573
   14   1HB   LYS   2          2HB       LYS   2  -9.982   4.867  -1.675
   15   2HB   LYS   2          1HB       LYS   2  -8.297   4.623  -2.137
   16   1HG   LYS   2          2HG       LYS   2 -10.054   6.804  -3.295
   17   2HG   LYS   2          1HG       LYS   2  -8.962   7.047  -1.932
   18   1HD   LYS   2          2HD       LYS   2  -7.071   6.899  -3.237
   19   2HD   LYS   2          1HD       LYS   2  -7.818   5.773  -4.372
   20   1HE   LYS   2          2HE       LYS   2  -7.880   7.620  -5.723
   21   2HE   LYS   2          1HE       LYS   2  -9.355   7.956  -4.818
   22   1HZ   LYS   2          2HZ       LYS   2  -7.137   8.876  -3.354
   23   2HZ   LYS   2          1HZ       LYS   2  -7.040   9.493  -4.934
   24   3HZ   LYS   2          3HZ       LYS   2  -8.428   9.773  -4.000
   25    H    THR   3           H        THR   3  -9.677   2.467  -5.579
   26    HA   THR   3           HA       THR   3  -7.809   0.632  -4.206
   27    HB   THR   3           HB       THR   3  -8.590  -1.005  -5.615
   28    HG1  THR   3           HG1      THR   3  -8.075  -0.635  -7.604
   29   1HG2  THR   3          2HG2      THR   3 -10.563   0.631  -4.771
   30   2HG2  THR   3          1HG2      THR   3 -10.810   0.750  -6.513
   31   3HG2  THR   3          3HG2      THR   3 -10.868  -0.824  -5.720
   32    H    GLU   4           H        GLU   4  -7.692   3.215  -6.413
   33    HA   GLU   4           HA       GLU   4  -5.245   2.246  -7.762
   34   1HB   GLU   4          2HB       GLU   4  -7.065   4.620  -8.073
   35   2HB   GLU   4          1HB       GLU   4  -5.434   4.691  -8.737
   36   1HG   GLU   4          2HG       GLU   4  -6.302   2.198  -9.568
   37   2HG   GLU   4          1HG       GLU   4  -7.773   3.165  -9.673
   38    H    TRP   5           H        TRP   5  -6.238   4.955  -5.680
   39    HA   TRP   5           HA       TRP   5  -4.943   6.292  -4.249
   40   1HB   TRP   5          2HB       TRP   5  -2.954   4.028  -4.600
   41   2HB   TRP   5          1HB       TRP   5  -2.808   5.333  -3.427
   42    HD1  TRP   5           HD1      TRP   5  -4.926   5.519  -1.635
   43    HE1  TRP   5           HE1      TRP   5  -6.187   3.597  -0.471
   44    HE3  TRP   5           HE3      TRP   5  -3.777   1.661  -4.800
   45    HZ2  TRP   5           HZ2      TRP   5  -6.636   0.799  -0.820
   46    HZ3  TRP   5           HZ3      TRP   5  -4.625  -0.619  -4.336
   47    HH2  TRP   5           HH2      TRP   5  -6.053  -1.051  -2.354
   48    HA   PRO   6           HA       PRO   6  -2.350   7.257  -8.093
   49   1HB   PRO   6          2HB       PRO   6  -4.032   9.075  -9.303
   50   2HB   PRO   6          1HB       PRO   6  -4.009   7.351  -9.719
   51   1HG   PRO   6          2HG       PRO   6  -5.995   8.862  -8.067
   52   2HG   PRO   6          1HG       PRO   6  -6.238   7.428  -9.081
   53   1HD   PRO   6          2HD       PRO   6  -6.021   7.388  -6.288
   54   2HD   PRO   6          1HD       PRO   6  -5.770   5.993  -7.353
   55    H    GLU   7           H        GLU   7  -4.480   8.974  -6.018
   56    HA   GLU   7           HA       GLU   7  -3.043  11.509  -6.006
   57   1HB   GLU   7          2HB       GLU   7  -5.362  10.371  -4.700
   58   2HB   GLU   7          1HB       GLU   7  -4.316  11.148  -3.509
   59   1HG   GLU   7          2HG       GLU   7  -4.233  13.037  -5.418
   60   2HG   GLU   7          1HG       GLU   7  -5.817  12.350  -5.788
   61    H    LEU   8           H        LEU   8  -2.504   8.394  -4.721
   62    HA   LEU   8           HA       LEU   8  -0.909   9.235  -2.433
   63   1HB   LEU   8          2HB       LEU   8  -2.175   7.056  -2.570
   64   2HB   LEU   8          1HB       LEU   8  -1.023   6.529  -3.796
   65    HG   LEU   8           HG       LEU   8   0.788   7.139  -2.027
   66   1HD1  LEU   8          2HD1      LEU   8  -1.756   7.040  -0.399
   67   2HD1  LEU   8          1HD1      LEU   8  -0.181   6.691   0.315
   68   3HD1  LEU   8          3HD1      LEU   8  -0.498   8.279  -0.385
   69   1HD2  LEU   8          1HD2      LEU   8  -0.689   4.794  -2.626
   70   2HD2  LEU   8          3HD2      LEU   8   0.927   4.891  -1.926
   71   3HD2  LEU   8          2HD2      LEU   8  -0.489   4.826  -0.876
   72    H    VAL   9           H        VAL   9  -0.405   9.241  -5.743
   73    HA   VAL   9           HA       VAL   9   2.176   8.225  -6.100
   74    HB   VAL   9           HB       VAL   9   0.844  10.655  -7.308
   75   1HG1  VAL   9          3HG1      VAL   9   3.368  10.897  -7.263
   76   2HG1  VAL   9          2HG1      VAL   9   3.461   9.398  -8.195
   77   3HG1  VAL   9          1HG1      VAL   9   2.677  10.818  -8.888
   78   1HG2  VAL   9          3HG2      VAL   9   0.053   8.285  -7.807
   79   2HG2  VAL   9          2HG2      VAL   9   0.533   9.230  -9.214
   80   3HG2  VAL   9          1HG2      VAL   9   1.624   8.010  -8.559
   81    H    GLY  10           H        GLY  10   4.259   9.189  -5.963
   82   1HA   GLY  10          2HA       GLY  10   5.908  10.322  -4.739
   83   2HA   GLY  10          1HA       GLY  10   4.933  11.736  -5.139
   84    H    LYS  11           H        LYS  11   3.424   9.274  -3.189
   85    HA   LYS  11           HA       LYS  11   3.481  11.176  -0.906
   86   1HB   LYS  11          2HB       LYS  11   1.347   9.964  -1.909
   87   2HB   LYS  11          1HB       LYS  11   1.883   8.638  -0.876
   88   1HG   LYS  11          2HG       LYS  11   0.422   9.904   0.497
   89   2HG   LYS  11          1HG       LYS  11   2.039  10.396   0.999
   90   1HD   LYS  11          2HD       LYS  11   0.978  12.461   0.733
   91   2HD   LYS  11          1HD       LYS  11   1.750  12.249  -0.838
   92   1HE   LYS  11          2HE       LYS  11  -0.584  10.984  -1.324
   93   2HE   LYS  11          1HE       LYS  11  -1.131  12.143  -0.113
   94   1HZ   LYS  11          1HZ       LYS  11   0.461  13.627  -1.726
   95   2HZ   LYS  11          3HZ       LYS  11  -0.305  12.588  -2.826
   96   3HZ   LYS  11          2HZ       LYS  11  -1.235  13.572  -1.798
   97    H    SER  12           H        SER  12   2.836   8.711   0.852
   98    HA   SER  12           HA       SER  12   5.501   7.418   0.902
   99   1HB   SER  12          2HB       SER  12   4.625   9.494   2.759
  100   2HB   SER  12          1HB       SER  12   5.052   7.997   3.588
  101    HG   SER  12           HG       SER  12   6.614   9.657   1.931
  102    H    VAL  13           H        VAL  13   5.538   5.540   2.350
  103    HA   VAL  13           HA       VAL  13   3.388   3.791   2.081
  104    HB   VAL  13           HB       VAL  13   5.295   3.856   4.434
  105   1HG1  VAL  13          2HG1      VAL  13   3.148   2.163   3.839
  106   2HG1  VAL  13          1HG1      VAL  13   4.571   1.275   3.293
  107   3HG1  VAL  13          3HG1      VAL  13   4.463   1.824   4.966
  108   1HG2  VAL  13          2HG2      VAL  13   5.663   3.257   1.552
  109   2HG2  VAL  13          1HG2      VAL  13   6.848   3.767   2.754
  110   3HG2  VAL  13          3HG2      VAL  13   6.350   2.076   2.668
  111    H    GLU  14           H        GLU  14   3.965   6.162   4.648
  112    HA   GLU  14           HA       GLU  14   2.092   5.442   6.565
  113   1HB   GLU  14          2HB       GLU  14   3.085   8.056   5.527
  114   2HB   GLU  14          1HB       GLU  14   1.651   8.092   6.552
  115   1HG   GLU  14          2HG       GLU  14   2.870   7.681   8.402
  116   2HG   GLU  14          1HG       GLU  14   3.671   6.307   7.638
  117    H    GLU  15           H        GLU  15   1.200   7.935   4.177
  118    HA   GLU  15           HA       GLU  15  -1.594   7.587   4.410
  119   1HB   GLU  15          2HB       GLU  15   0.243   8.914   2.579
  120   2HB   GLU  15          1HB       GLU  15  -1.155   8.257   1.727
  121   1HG   GLU  15          2HG       GLU  15  -2.455   9.329   3.796
  122   2HG   GLU  15          1HG       GLU  15  -1.035  10.378   3.826
  123    H    ALA  16           H        ALA  16   0.776   5.819   2.492
  124    HA   ALA  16           HA       ALA  16  -1.088   4.425   0.827
  125   1HB   ALA  16          1HB       ALA  16   1.755   4.321   1.406
  126   2HB   ALA  16          3HB       ALA  16   1.085   2.701   1.220
  127   3HB   ALA  16          2HB       ALA  16   0.907   3.885  -0.075
  128    H    LYS  17           H        LYS  17   0.866   2.500   3.063
  129    HA   LYS  17           HA       LYS  17  -0.958   0.460   3.474
  130   1HB   LYS  17          2HB       LYS  17   1.425   0.769   4.459
  131   2HB   LYS  17          1HB       LYS  17   0.606   1.547   5.813
  132   1HG   LYS  17          2HG       LYS  17   0.367  -0.546   6.646
  133   2HG   LYS  17          1HG       LYS  17  -0.904  -0.733   5.436
  134   1HD   LYS  17          2HD       LYS  17   0.314  -2.373   4.493
  135   2HD   LYS  17          1HD       LYS  17   1.526  -1.163   4.069
  136   1HE   LYS  17          2HE       LYS  17   2.879  -2.463   5.372
  137   2HE   LYS  17          1HE       LYS  17   2.139  -1.542   6.682
  138   1HZ   LYS  17          3HZ       LYS  17   0.340  -3.363   6.558
  139   2HZ   LYS  17          2HZ       LYS  17   1.536  -4.272   5.764
  140   3HZ   LYS  17          1HZ       LYS  17   1.804  -3.706   7.343
  141    H    LYS  18           H        LYS  18  -1.027   3.668   4.821
  142    HA   LYS  18           HA       LYS  18  -2.912   3.288   6.920
  143   1HB   LYS  18          2HB       LYS  18  -1.645   5.352   6.727
  144   2HB   LYS  18          1HB       LYS  18  -2.366   5.689   5.152
  145   1HG   LYS  18          2HG       LYS  18  -4.465   6.182   6.078
  146   2HG   LYS  18          1HG       LYS  18  -4.121   5.302   7.568
  147   1HD   LYS  18          2HD       LYS  18  -2.132   7.217   7.539
  148   2HD   LYS  18          1HD       LYS  18  -3.508   8.088   6.862
  149   1HE   LYS  18          2HE       LYS  18  -4.667   8.040   8.823
  150   2HE   LYS  18          1HE       LYS  18  -4.138   6.402   9.206
  151   1HZ   LYS  18          1HZ       LYS  18  -2.144   8.540   9.279
  152   2HZ   LYS  18          3HZ       LYS  18  -3.269   8.469  10.545
  153   3HZ   LYS  18          2HZ       LYS  18  -2.265   7.136  10.228
  154    H    VAL  19           H        VAL  19  -3.820   5.188   4.081
  155    HA   VAL  19           HA       VAL  19  -6.579   4.499   4.245
  156    HB   VAL  19           HB       VAL  19  -5.201   5.271   1.670
  157   1HG1  VAL  19          1HG1      VAL  19  -7.930   5.311   2.795
  158   2HG1  VAL  19          3HG1      VAL  19  -7.456   6.799   1.975
  159   3HG1  VAL  19          2HG1      VAL  19  -7.406   5.262   1.111
  160   1HG2  VAL  19          3HG2      VAL  19  -5.681   6.924   4.155
  161   2HG2  VAL  19          2HG2      VAL  19  -4.200   6.787   3.207
  162   3HG2  VAL  19          1HG2      VAL  19  -5.586   7.669   2.560
  163    H    ILE  20           H        ILE  20  -4.035   3.244   2.091
  164    HA   ILE  20           HA       ILE  20  -5.492   1.438   0.563
  165    HB   ILE  20           HB       ILE  20  -2.766   0.948   1.802
  166   1HG1  ILE  20          2HG1      ILE  20  -3.488   2.168  -0.880
  167   2HG1  ILE  20          1HG1      ILE  20  -3.000   3.106   0.530
  168   1HG2  ILE  20          2HG2      ILE  20  -4.363  -0.382  -0.359
  169   2HG2  ILE  20          1HG2      ILE  20  -2.610  -0.298  -0.529
  170   3HG2  ILE  20          3HG2      ILE  20  -3.322  -1.105   0.868
  171   1HD1  ILE  20          2HD1      ILE  20  -0.899   1.624   0.575
  172   2HD1  ILE  20          1HD1      ILE  20  -1.373   1.109  -1.043
  173   3HD1  ILE  20          3HD1      ILE  20  -1.006   2.805  -0.731
  174    H    LEU  21           H        LEU  21  -3.836   0.566   3.632
  175    HA   LEU  21           HA       LEU  21  -4.670  -2.004   4.038
  176   1HB   LEU  21          2HB       LEU  21  -3.372  -0.845   5.724
  177   2HB   LEU  21          1HB       LEU  21  -4.722   0.238   6.075
  178    HG   LEU  21           HG       LEU  21  -5.560  -2.529   6.266
  179   1HD1  LEU  21          3HD1      LEU  21  -3.226  -1.652   7.996
  180   2HD1  LEU  21          2HD1      LEU  21  -4.217  -3.081   8.293
  181   3HD1  LEU  21          1HD1      LEU  21  -3.226  -2.982   6.837
  182   1HD2  LEU  21          3HD2      LEU  21  -5.559  -0.029   7.911
  183   2HD2  LEU  21          2HD2      LEU  21  -6.915  -1.038   7.411
  184   3HD2  LEU  21          1HD2      LEU  21  -5.872  -1.558   8.733
  185    H    GLN  22           H        GLN  22  -6.762   0.825   4.246
  186    HA   GLN  22           HA       GLN  22  -9.088  -0.993   4.135
  187   1HB   GLN  22          2HB       GLN  22  -8.255   0.287   6.557
  188   2HB   GLN  22          1HB       GLN  22  -9.761   1.035   6.023
  189   1HG   GLN  22          2HG       GLN  22 -10.804  -1.190   5.814
  190   2HG   GLN  22          1HG       GLN  22  -9.299  -1.952   6.333
  191   1HE2  GLN  22          2HE2      GLN  22 -10.118  -1.585   9.731
  192   2HE2  GLN  22          1HE2      GLN  22  -9.253  -2.422   8.534
  193    H    ASP  23           H        ASP  23  -8.238   0.547   2.044
  194    HA   ASP  23           HA       ASP  23  -9.340   3.202   2.034
  195   1HB   ASP  23          2HB       ASP  23  -8.428   3.327  -0.040
  196   2HB   ASP  23          1HB       ASP  23  -7.714   1.766   0.341
  197    H    LYS  24           H        LYS  24 -10.619   0.028   1.072
  198    HA   LYS  24           HA       LYS  24 -13.298   1.311   1.100
  199   1HB   LYS  24          2HB       LYS  24 -13.790  -0.737  -0.610
  200   2HB   LYS  24          1HB       LYS  24 -13.386   0.889  -1.116
  201   1HG   LYS  24          2HG       LYS  24 -10.895  -0.364  -0.684
  202   2HG   LYS  24          1HG       LYS  24 -11.870  -1.547  -1.536
  203   1HD   LYS  24          2HD       LYS  24 -11.793   1.306  -2.463
  204   2HD   LYS  24          1HD       LYS  24 -10.538   0.157  -2.947
  205   1HE   LYS  24          2HE       LYS  24 -13.521  -0.265  -3.318
  206   2HE   LYS  24          1HE       LYS  24 -12.416   0.259  -4.586
  207   1HZ   LYS  24          2HZ       LYS  24 -11.118  -1.864  -3.807
  208   2HZ   LYS  24          1HZ       LYS  24 -12.661  -2.354  -3.291
  209   3HZ   LYS  24          3HZ       LYS  24 -12.394  -1.978  -4.923
  210    HA   PRO  25           HA       PRO  25 -14.229  -2.713   3.203
  211   1HB   PRO  25          2HB       PRO  25 -13.097  -5.094   2.444
  212   2HB   PRO  25          1HB       PRO  25 -14.536  -4.422   1.656
  213   1HG   PRO  25          2HG       PRO  25 -11.735  -4.546   0.648
  214   2HG   PRO  25          1HG       PRO  25 -13.254  -4.476  -0.257
  215   1HD   PRO  25          2HD       PRO  25 -11.494  -2.302   0.193
  216   2HD   PRO  25          1HD       PRO  25 -13.151  -2.229  -0.432
  217    H    GLU  26           H        GLU  26 -11.180  -4.237   2.334
  218    HA   GLU  26           HA       GLU  26  -9.633  -3.075   4.516
  219   1HB   GLU  26          2HB       GLU  26 -10.059  -6.057   4.649
  220   2HB   GLU  26          1HB       GLU  26  -9.415  -4.980   5.884
  221   1HG   GLU  26          2HG       GLU  26 -11.639  -3.962   6.173
  222   2HG   GLU  26          1HG       GLU  26 -12.287  -5.009   4.909
  223    H    ALA  27           H        ALA  27  -8.745  -2.747   2.140
  224    HA   ALA  27           HA       ALA  27  -7.336  -5.120   1.147
  225   1HB   ALA  27          3HB       ALA  27  -8.141  -2.561   0.068
  226   2HB   ALA  27          2HB       ALA  27  -6.426  -2.838  -0.234
  227   3HB   ALA  27          1HB       ALA  27  -7.621  -4.010  -0.793
  228    H    GLN  28           H        GLN  28  -5.447  -5.673   2.070
  229    HA   GLN  28           HA       GLN  28  -3.886  -3.671   3.569
  230   1HB   GLN  28          2HB       GLN  28  -4.345  -6.388   3.892
  231   2HB   GLN  28          1HB       GLN  28  -2.706  -6.337   3.239
  232   1HG   GLN  28          2HG       GLN  28  -1.915  -5.668   5.236
  233   2HG   GLN  28          1HG       GLN  28  -2.973  -4.257   5.195
  234   1HE2  GLN  28          2HE2      GLN  28  -3.781  -7.068   7.863
  235   2HE2  GLN  28          1HE2      GLN  28  -2.268  -6.819   7.136
  236    H    ILE  29           H        ILE  29  -1.513  -3.483   3.134
  237    HA   ILE  29           HA       ILE  29  -0.809  -4.176   0.335
  238    HB   ILE  29           HB       ILE  29  -1.591  -1.836   0.334
  239   1HG1  ILE  29          2HG1      ILE  29   1.416  -1.833   0.084
  240   2HG1  ILE  29          1HG1      ILE  29   0.413  -2.766  -1.027
  241   1HG2  ILE  29          2HG2      ILE  29   0.607  -1.523   2.398
  242   2HG2  ILE  29          1HG2      ILE  29  -0.132  -0.163   1.553
  243   3HG2  ILE  29          3HG2      ILE  29  -1.111  -1.181   2.609
  244   1HD1  ILE  29          2HD1      ILE  29   0.166   0.211  -0.511
  245   2HD1  ILE  29          1HD1      ILE  29   0.894  -0.524  -1.939
  246   3HD1  ILE  29          3HD1      ILE  29  -0.831  -0.725  -1.628
  247    H    ILE  30           H        ILE  30   1.253  -4.839   0.081
  248    HA   ILE  30           HA       ILE  30   2.948  -5.077   2.496
  249    HB   ILE  30           HB       ILE  30   2.943  -6.261  -0.272
  250   1HG1  ILE  30          2HG1      ILE  30   1.712  -7.382   1.538
  251   2HG1  ILE  30          1HG1      ILE  30   3.091  -8.362   1.031
  252   1HG2  ILE  30          1HG2      ILE  30   5.325  -5.815   1.456
  253   2HG2  ILE  30          3HG2      ILE  30   5.159  -7.408   0.720
  254   3HG2  ILE  30          2HG2      ILE  30   5.214  -5.969  -0.299
  255   1HD1  ILE  30          2HD1      ILE  30   4.182  -6.745   2.991
  256   2HD1  ILE  30          1HD1      ILE  30   2.565  -7.074   3.614
  257   3HD1  ILE  30          3HD1      ILE  30   3.649  -8.410   3.225
  258    H    VAL  31           H        VAL  31   5.196  -4.258   2.455
  259    HA   VAL  31           HA       VAL  31   5.492  -1.975   0.548
  260    HB   VAL  31           HB       VAL  31   5.213  -1.292   2.925
  261   1HG1  VAL  31          1HG1      VAL  31   7.765  -2.891   3.282
  262   2HG1  VAL  31          3HG1      VAL  31   7.074  -1.817   4.498
  263   3HG1  VAL  31          2HG1      VAL  31   6.195  -3.261   3.994
  264   1HG2  VAL  31          3HG2      VAL  31   6.755  -0.119   1.192
  265   2HG2  VAL  31          2HG2      VAL  31   6.947   0.309   2.892
  266   3HG2  VAL  31          1HG2      VAL  31   8.082  -0.805   2.129
  267    H    LEU  32           H        LEU  32   7.388  -1.852  -0.636
  268    HA   LEU  32           HA       LEU  32   9.682  -3.548   0.147
  269   1HB   LEU  32          2HB       LEU  32   9.758  -4.756  -1.939
  270   2HB   LEU  32          1HB       LEU  32   8.149  -4.971  -1.256
  271    HG   LEU  32           HG       LEU  32   8.046  -2.620  -2.813
  272   1HD1  LEU  32          3HD1      LEU  32  10.187  -4.103  -3.715
  273   2HD1  LEU  32          2HD1      LEU  32   8.868  -4.715  -4.715
  274   3HD1  LEU  32          1HD1      LEU  32   9.245  -2.994  -4.708
  275   1HD2  LEU  32          2HD2      LEU  32   6.467  -4.726  -2.322
  276   2HD2  LEU  32          1HD2      LEU  32   6.240  -3.726  -3.755
  277   3HD2  LEU  32          3HD2      LEU  32   7.114  -5.253  -3.874
  278    HA   PRO  33           HA       PRO  33  11.956  -0.327  -1.761
  279   1HB   PRO  33          2HB       PRO  33  14.272  -1.693  -2.306
  280   2HB   PRO  33          1HB       PRO  33  13.784  -1.213  -0.672
  281   1HG   PRO  33          2HG       PRO  33  13.751  -3.918  -1.915
  282   2HG   PRO  33          1HG       PRO  33  13.860  -3.469  -0.205
  283   1HD   PRO  33          2HD       PRO  33  11.534  -4.374  -1.562
  284   2HD   PRO  33          1HD       PRO  33  11.600  -3.681   0.072
  285    H    VAL  34           H        VAL  34  10.135  -1.463  -3.629
  286    HA   VAL  34           HA       VAL  34   9.797  -1.664  -5.930
  287    HB   VAL  34           HB       VAL  34  12.513  -0.314  -5.957
  288   1HG1  VAL  34          3HG1      VAL  34  12.001  -1.580  -8.061
  289   2HG1  VAL  34          2HG1      VAL  34  10.519  -0.636  -8.219
  290   3HG1  VAL  34          1HG1      VAL  34  12.088   0.164  -8.304
  291   1HG2  VAL  34          1HG2      VAL  34  10.271   0.761  -5.019
  292   2HG2  VAL  34          3HG2      VAL  34  11.357   1.703  -6.041
  293   3HG2  VAL  34          2HG2      VAL  34   9.913   0.963  -6.733
  294    H    GLY  35           H        GLY  35  13.275  -1.999  -6.342
  295   1HA   GLY  35          2HA       GLY  35  14.516  -3.822  -7.157
  296   2HA   GLY  35          1HA       GLY  35  13.561  -4.784  -6.027
  297    H    THR  36           H        THR  36  14.229  -6.010  -8.362
  298    HA   THR  36           HA       THR  36  11.888  -5.704 -10.175
  299    HB   THR  36           HB       THR  36  14.143  -5.746 -11.210
  300    HG1  THR  36           HG1      THR  36  12.630  -6.554 -12.534
  301   1HG2  THR  36          1HG2      THR  36  14.736  -7.600  -9.285
  302   2HG2  THR  36          3HG2      THR  36  14.521  -8.625 -10.703
  303   3HG2  THR  36          2HG2      THR  36  15.707  -7.320 -10.730
  304    H    ILE  37           H        ILE  37  10.631  -6.694  -8.271
  305    HA   ILE  37           HA       ILE  37   9.611  -8.546  -7.238
  306    HB   ILE  37           HB       ILE  37  10.191  -9.610 -10.019
  307   1HG1  ILE  37          2HG1      ILE  37   7.702  -8.448  -8.722
  308   2HG1  ILE  37          1HG1      ILE  37   8.700  -7.652  -9.939
  309   1HG2  ILE  37          2HG2      ILE  37   9.010 -10.874  -7.628
  310   2HG2  ILE  37          1HG2      ILE  37   8.023 -11.002  -9.084
  311   3HG2  ILE  37          3HG2      ILE  37   9.675 -11.618  -9.082
  312   1HD1  ILE  37          3HD1      ILE  37   8.201  -9.976 -11.225
  313   2HD1  ILE  37          2HD1      ILE  37   6.736  -9.863 -10.251
  314   3HD1  ILE  37          1HD1      ILE  37   7.154  -8.563 -11.368
  315    H    VAL  38           H        VAL  38  11.940  -8.487  -6.100
  316    HA   VAL  38           HA       VAL  38  13.426 -10.999  -6.662
  317    HB   VAL  38           HB       VAL  38  15.136 -10.117  -5.195
  318   1HG1  VAL  38          3HG1      VAL  38  14.040  -8.562  -7.409
  319   2HG1  VAL  38          2HG1      VAL  38  14.933  -7.553  -6.272
  320   3HG1  VAL  38          1HG1      VAL  38  15.721  -8.937  -7.030
  321   1HG2  VAL  38          1HG2      VAL  38  13.476  -9.199  -3.527
  322   2HG2  VAL  38          3HG2      VAL  38  14.824  -8.116  -3.876
  323   3HG2  VAL  38          2HG2      VAL  38  13.246  -7.822  -4.606
  324    H    THR  39           H        THR  39  14.349 -11.241  -3.892
  325    HA   THR  39           HA       THR  39  13.721 -12.578  -2.055
  326    HB   THR  39           HB       THR  39  11.711 -11.673  -0.843
  327    HG1  THR  39           HG1      THR  39  10.784  -9.793  -1.809
  328   1HG2  THR  39          1HG2      THR  39  14.087 -10.158  -1.695
  329   2HG2  THR  39          3HG2      THR  39  12.767  -9.152  -1.096
  330   3HG2  THR  39          2HG2      THR  39  13.441 -10.424  -0.076
  331   1H    GLU  41          2H        GLU  41  -8.763  -8.853  -8.790
  332   2H    GLU  41          1H        GLU  41  -8.218  -9.153 -10.372
  333   3H    GLU  41          3H        GLU  41  -8.773  -7.608  -9.946
  334    HA   GLU  41           HA       GLU  41 -10.557  -8.499 -11.094
  335   1HB   GLU  41          2HB       GLU  41  -9.686 -11.026  -9.746
  336   2HB   GLU  41          1HB       GLU  41 -11.360 -10.872 -10.282
  337   1HG   GLU  41          2HG       GLU  41  -9.193 -10.099 -12.195
  338   2HG   GLU  41          1HG       GLU  41  -9.480 -11.817 -11.914
  339    H    TYR  42           H        TYR  42 -10.283  -9.743  -7.799
  340    HA   TYR  42           HA       TYR  42 -12.892  -8.474  -7.173
  341   1HB   TYR  42          2HB       TYR  42 -12.496  -9.859  -4.967
  342   2HB   TYR  42          1HB       TYR  42 -12.986 -10.679  -6.440
  343    HD1  TYR  42           HD1      TYR  42  -9.640  -9.349  -5.343
  344    HD2  TYR  42           HD2      TYR  42 -11.976 -12.754  -6.511
  345    HE1  TYR  42           HE1      TYR  42  -7.611 -10.756  -5.284
  346    HE2  TYR  42           HE2      TYR  42  -9.945 -14.165  -6.455
  347    HH   TYR  42           HH       TYR  42  -7.455 -13.747  -4.970
  348    H    ARG  43           H        ARG  43 -11.341  -8.812  -4.251
  349    HA   ARG  43           HA       ARG  43 -10.110  -6.104  -4.435
  350   1HB   ARG  43          2HB       ARG  43 -11.182  -5.397  -2.425
  351   2HB   ARG  43          1HB       ARG  43 -12.459  -6.137  -3.390
  352   1HG   ARG  43          2HG       ARG  43 -11.522  -8.314  -2.034
  353   2HG   ARG  43          1HG       ARG  43 -11.252  -7.044  -0.837
  354   1HD   ARG  43          2HD       ARG  43 -13.441  -7.391  -0.312
  355   2HD   ARG  43          1HD       ARG  43 -13.763  -6.414  -1.745
  356    HE   ARG  43           HE       ARG  43 -13.423  -9.266  -2.311
  357   1HH1  ARG  43          1HH2      ARG  43 -15.121  -7.729  -4.080
  358   2HH1  ARG  43          2HH2      ARG  43 -16.725  -8.067  -3.521
  359   1HH2  ARG  43          2HH1      ARG  43 -15.686  -9.270  -0.440
  360   2HH2  ARG  43          1HH1      ARG  43 -17.045  -8.938  -1.461
  361    H    ILE  44           H        ILE  44  -8.401  -8.162  -4.623
  362    HA   ILE  44           HA       ILE  44  -7.564  -9.622  -2.427
  363    HB   ILE  44           HB       ILE  44  -6.299  -9.747  -4.495
  364   1HG1  ILE  44          2HG1      ILE  44  -4.093  -8.643  -2.990
  365   2HG1  ILE  44          1HG1      ILE  44  -5.196  -9.497  -1.907
  366   1HG2  ILE  44          3HG2      ILE  44  -5.790  -6.834  -3.909
  367   2HG2  ILE  44          2HG2      ILE  44  -4.677  -7.756  -4.921
  368   3HG2  ILE  44          1HG2      ILE  44  -6.364  -7.572  -5.404
  369   1HD1  ILE  44          3HD1      ILE  44  -4.334 -10.742  -4.516
  370   2HD1  ILE  44          2HD1      ILE  44  -3.317 -10.868  -3.080
  371   3HD1  ILE  44          1HD1      ILE  44  -4.950 -11.533  -3.064
  372    H    ASP  45           H        ASP  45  -6.443  -9.181  -0.509
  373    HA   ASP  45           HA       ASP  45  -6.425  -6.310   0.216
  374   1HB   ASP  45          2HB       ASP  45  -6.745  -6.967   2.447
  375   2HB   ASP  45          1HB       ASP  45  -7.661  -8.170   1.535
  376    H    ARG  46           H        ARG  46  -4.346  -7.237  -1.437
  377    HA   ARG  46           HA       ARG  46  -2.048  -6.532   0.265
  378   1HB   ARG  46          2HB       ARG  46  -2.310  -9.114   0.176
  379   2HB   ARG  46          1HB       ARG  46  -1.818  -8.968  -1.513
  380   1HG   ARG  46          2HG       ARG  46  -0.170  -7.558   0.543
  381   2HG   ARG  46          1HG       ARG  46  -0.021  -9.313   0.429
  382   1HD   ARG  46          2HD       ARG  46   0.058  -8.598  -2.213
  383   2HD   ARG  46          1HD       ARG  46   0.864  -7.222  -1.457
  384    HE   ARG  46           HE       ARG  46   2.675  -8.644  -0.946
  385   1HH1  ARG  46          1HH2      ARG  46  -0.180 -10.413  -1.748
  386   2HH1  ARG  46          2HH2      ARG  46   0.608 -11.954  -1.710
  387   1HH2  ARG  46          2HH1      ARG  46   3.708 -10.650  -0.870
  388   2HH2  ARG  46          1HH1      ARG  46   2.807 -12.089  -1.214
  389    H    VAL  47           H        VAL  47  -0.504  -5.389  -0.949
  390    HA   VAL  47           HA       VAL  47  -0.665  -5.462  -3.888
  391    HB   VAL  47           HB       VAL  47  -1.247  -2.941  -2.304
  392   1HG1  VAL  47          2HG1      VAL  47  -0.924  -3.444  -5.277
  393   2HG1  VAL  47          1HG1      VAL  47  -1.531  -1.952  -4.563
  394   3HG1  VAL  47          3HG1      VAL  47   0.131  -2.455  -4.266
  395   1HG2  VAL  47          3HG2      VAL  47  -2.895  -4.650  -4.184
  396   2HG2  VAL  47          2HG2      VAL  47  -3.158  -4.435  -2.452
  397   3HG2  VAL  47          1HG2      VAL  47  -3.396  -3.079  -3.557
  398    H    ARG  48           H        ARG  48   1.191  -4.518  -4.906
  399    HA   ARG  48           HA       ARG  48   3.581  -4.603  -3.233
  400   1HB   ARG  48          2HB       ARG  48   2.953  -4.615  -6.087
  401   2HB   ARG  48          1HB       ARG  48   4.333  -3.578  -5.717
  402   1HG   ARG  48          2HG       ARG  48   4.681  -6.167  -6.181
  403   2HG   ARG  48          1HG       ARG  48   5.624  -5.347  -4.944
  404   1HD   ARG  48          2HD       ARG  48   4.499  -6.380  -3.202
  405   2HD   ARG  48          1HD       ARG  48   3.002  -6.530  -4.126
  406    HE   ARG  48           HE       ARG  48   5.256  -8.197  -5.047
  407   1HH1  ARG  48          1HH2      ARG  48   1.973  -8.085  -4.661
  408   2HH1  ARG  48          2HH2      ARG  48   1.795  -9.676  -3.999
  409   1HH2  ARG  48          2HH1      ARG  48   5.202 -10.167  -3.569
  410   2HH2  ARG  48          1HH1      ARG  48   3.623 -10.855  -3.380
  411    H    LEU  49           H        LEU  49   3.859  -2.860  -1.898
  412    HA   LEU  49           HA       LEU  49   3.324  -0.160  -2.991
  413   1HB   LEU  49          2HB       LEU  49   2.497  -0.472  -0.741
  414   2HB   LEU  49          1HB       LEU  49   4.059  -1.080  -0.201
  415    HG   LEU  49           HG       LEU  49   5.074   1.028  -0.308
  416   1HD1  LEU  49          1HD1      LEU  49   2.931   1.598  -2.326
  417   2HD1  LEU  49          3HD1      LEU  49   3.648   2.954  -1.458
  418   3HD1  LEU  49          2HD1      LEU  49   4.669   1.891  -2.430
  419   1HD2  LEU  49          3HD2      LEU  49   2.200   1.222   0.558
  420   2HD2  LEU  49          2HD2      LEU  49   3.661   1.241   1.545
  421   3HD2  LEU  49          1HD2      LEU  49   3.222   2.659   0.593
  422    H    PHE  50           H        PHE  50   5.032  -0.134  -4.483
  423    HA   PHE  50           HA       PHE  50   7.789  -0.606  -3.784
  424   1HB   PHE  50          2HB       PHE  50   6.296   0.697  -6.040
  425   2HB   PHE  50          1HB       PHE  50   8.049   0.899  -5.941
  426    HD1  PHE  50           HD1      PHE  50   6.971  -2.190  -4.481
  427    HD2  PHE  50           HD2      PHE  50   7.846  -0.294  -8.237
  428    HE1  PHE  50           HE1      PHE  50   7.207  -4.413  -5.556
  429    HE2  PHE  50           HE2      PHE  50   8.094  -2.514  -9.301
  430    HZ   PHE  50           HZ       PHE  50   7.773  -4.577  -7.963
  431    H    VAL  51           H        VAL  51   9.227   0.846  -2.825
  432    HA   VAL  51           HA       VAL  51   8.157   3.567  -2.226
  433    HB   VAL  51           HB       VAL  51  10.437   3.416  -0.750
  434   1HG1  VAL  51          1HG1      VAL  51   7.790   3.671  -0.250
  435   2HG1  VAL  51          3HG1      VAL  51   8.081   2.092   0.479
  436   3HG1  VAL  51          2HG1      VAL  51   8.997   3.499   1.026
  437   1HG2  VAL  51          1HG2      VAL  51  10.611   0.976  -1.621
  438   2HG2  VAL  51          3HG2      VAL  51  10.810   1.253   0.108
  439   3HG2  VAL  51          2HG2      VAL  51   9.277   0.643  -0.514
  440    H    ASP  52           H        ASP  52  10.420   4.993  -1.782
  441    HA   ASP  52           HA       ASP  52  11.945   4.795  -4.339
  442   1HB   ASP  52          2HB       ASP  52  11.704   7.066  -4.793
  443   2HB   ASP  52          1HB       ASP  52  10.134   6.697  -4.089
  444    H    LYS  53           H        LYS  53  13.493   7.196  -3.495
  445    HA   LYS  53           HA       LYS  53  15.671   5.958  -2.227
  446   1HB   LYS  53          2HB       LYS  53  14.937   8.880  -2.076
  447   2HB   LYS  53          1HB       LYS  53  16.561   8.184  -2.069
  448   1HG   LYS  53          2HG       LYS  53  15.895   7.200  -4.382
  449   2HG   LYS  53          1HG       LYS  53  14.595   8.396  -4.349
  450   1HD   LYS  53          2HD       LYS  53  16.282  10.188  -3.991
  451   2HD   LYS  53          1HD       LYS  53  17.565   8.982  -4.098
  452   1HE   LYS  53          2HE       LYS  53  15.649   9.856  -6.266
  453   2HE   LYS  53          1HE       LYS  53  17.411   9.922  -6.280
  454   1HZ   LYS  53          1HZ       LYS  53  17.230   7.386  -5.990
  455   2HZ   LYS  53          3HZ       LYS  53  15.644   7.583  -6.560
  456   3HZ   LYS  53          2HZ       LYS  53  16.957   8.055  -7.527
  457    H    LEU  54           H        LEU  54  13.402   8.329  -0.750
  458    HA   LEU  54           HA       LEU  54  14.229   7.327   1.924
  459   1HB   LEU  54          2HB       LEU  54  14.072   9.852   1.091
  460   2HB   LEU  54          1HB       LEU  54  12.392   9.653   1.593
  461    HG   LEU  54           HG       LEU  54  14.460   8.643   3.476
  462   1HD1  LEU  54          3HD1      LEU  54  14.081  11.548   2.761
  463   2HD1  LEU  54          2HD1      LEU  54  14.553  11.076   4.393
  464   3HD1  LEU  54          1HD1      LEU  54  15.585  10.665   3.022
  465   1HD2  LEU  54          2HD2      LEU  54  11.693   9.639   3.458
  466   2HD2  LEU  54          1HD2      LEU  54  12.476   8.519   4.575
  467   3HD2  LEU  54          3HD2      LEU  54  12.650  10.259   4.802
  468    H    ASP  55           H        ASP  55  12.052   6.178  -0.062
  469    HA   ASP  55           HA       ASP  55  10.247   4.740   0.481
  470   1HB   ASP  55          2HB       ASP  55   9.479   4.465   2.618
  471   2HB   ASP  55          1HB       ASP  55  10.993   5.278   2.988
  472    H    ASN  56           H        ASN  56  10.058   6.723  -1.278
  473    HA   ASN  56           HA       ASN  56   7.499   8.135  -0.700
  474   1HB   ASN  56          2HB       ASN  56   9.763   9.248  -1.626
  475   2HB   ASN  56          1HB       ASN  56   9.064   8.732  -3.164
  476   1HD2  ASN  56          2HD2      ASN  56   7.262  11.722  -1.024
  477   2HD2  ASN  56          1HD2      ASN  56   8.474  10.778  -0.303
  478    H    ILE  57           H        ILE  57   5.728   7.313  -1.600
  479    HA   ILE  57           HA       ILE  57   5.652   4.999  -3.201
  480    HB   ILE  57           HB       ILE  57   3.531   7.141  -3.352
  481   1HG1  ILE  57          2HG1      ILE  57   3.952   7.082  -1.021
  482   2HG1  ILE  57          1HG1      ILE  57   2.628   5.944  -1.246
  483   1HG2  ILE  57          1HG2      ILE  57   3.773   4.417  -4.173
  484   2HG2  ILE  57          3HG2      ILE  57   2.579   4.491  -2.876
  485   3HG2  ILE  57          2HG2      ILE  57   2.374   5.480  -4.322
  486   1HD1  ILE  57          3HD1      ILE  57   4.861   4.359  -1.629
  487   2HD1  ILE  57          2HD1      ILE  57   5.379   5.456  -0.351
  488   3HD1  ILE  57          1HD1      ILE  57   3.936   4.467  -0.130
  489    H    ALA  58           H        ALA  58   7.173   5.258  -4.895
  490    HA   ALA  58           HA       ALA  58   6.728   7.397  -6.885
  491   1HB   ALA  58          2HB       ALA  58   8.956   5.881  -6.067
  492   2HB   ALA  58          1HB       ALA  58   8.596   5.330  -7.703
  493   3HB   ALA  58          3HB       ALA  58   8.900   7.040  -7.395
  494    H    GLN  59           H        GLN  59   5.898   4.093  -6.322
  495    HA   GLN  59           HA       GLN  59   4.682   3.959  -9.052
  496   1HB   GLN  59          2HB       GLN  59   6.330   1.976  -7.556
  497   2HB   GLN  59          1HB       GLN  59   4.937   1.343  -8.436
  498   1HG   GLN  59          2HG       GLN  59   6.802   1.292  -9.955
  499   2HG   GLN  59          1HG       GLN  59   5.764   2.625 -10.461
  500   1HE2  GLN  59          2HE2      GLN  59   8.397   4.931 -10.169
  501   2HE2  GLN  59          1HE2      GLN  59   6.961   4.464 -10.945
  502    H    VAL  60           H        VAL  60   2.740   4.831  -8.079
  503    HA   VAL  60           HA       VAL  60   1.418   4.099  -5.802
  504    HB   VAL  60           HB       VAL  60   0.371   4.726  -8.546
  505   1HG1  VAL  60          1HG1      VAL  60  -1.091   3.505  -6.293
  506   2HG1  VAL  60          3HG1      VAL  60  -1.813   4.997  -6.899
  507   3HG1  VAL  60          2HG1      VAL  60  -1.550   3.641  -7.992
  508   1HG2  VAL  60          3HG2      VAL  60   0.543   6.089  -5.856
  509   2HG2  VAL  60          2HG2      VAL  60   1.210   6.623  -7.398
  510   3HG2  VAL  60          1HG2      VAL  60  -0.531   6.684  -7.120
  511    HA   PRO  61           HA       PRO  61   0.649  -0.262  -6.342
  512   1HB   PRO  61          2HB       PRO  61  -0.530  -0.581  -3.882
  513   2HB   PRO  61          1HB       PRO  61   1.221  -0.474  -4.112
  514   1HG   PRO  61          2HG       PRO  61  -0.651   1.538  -2.983
  515   2HG   PRO  61          1HG       PRO  61   1.093   1.368  -2.731
  516   1HD   PRO  61          2HD       PRO  61  -0.201   3.238  -4.450
  517   2HD   PRO  61          1HD       PRO  61   1.543   2.915  -4.348
  518    H    ARG  62           H        ARG  62  -1.328  -1.664  -6.389
  519    HA   ARG  62           HA       ARG  62  -3.913  -0.189  -6.331
  520   1HB   ARG  62          2HB       ARG  62  -2.547  -1.212  -8.695
  521   2HB   ARG  62          1HB       ARG  62  -4.154  -1.915  -8.508
  522   1HG   ARG  62          2HG       ARG  62  -4.429   0.105  -9.777
  523   2HG   ARG  62          1HG       ARG  62  -5.021   0.444  -8.150
  524   1HD   ARG  62          2HD       ARG  62  -3.318   1.897  -7.691
  525   2HD   ARG  62          1HD       ARG  62  -2.133   0.944  -8.585
  526    HE   ARG  62           HE       ARG  62  -4.108   2.751  -9.923
  527   1HH1  ARG  62          1HH2      ARG  62  -1.642   0.556 -10.487
  528   2HH1  ARG  62          2HH2      ARG  62  -0.701   1.598 -11.501
  529   1HH2  ARG  62          2HH1      ARG  62  -2.632   4.405 -10.863
  530   2HH2  ARG  62          1HH1      ARG  62  -1.263   3.775 -11.715
  531    H    VAL  63           H        VAL  63  -5.751  -1.608  -5.996
  532    HA   VAL  63           HA       VAL  63  -4.982  -4.357  -5.093
  533    HB   VAL  63           HB       VAL  63  -6.309  -2.207  -3.688
  534   1HG1  VAL  63          1HG1      VAL  63  -7.887  -4.773  -3.972
  535   2HG1  VAL  63          3HG1      VAL  63  -8.130  -3.617  -2.658
  536   3HG1  VAL  63          2HG1      VAL  63  -8.440  -3.136  -4.329
  537   1HG2  VAL  63          3HG2      VAL  63  -4.983  -4.790  -3.157
  538   2HG2  VAL  63          2HG2      VAL  63  -4.816  -3.247  -2.323
  539   3HG2  VAL  63          1HG2      VAL  63  -6.175  -4.308  -1.950
  540    H    GLY  64           H        GLY  64  -5.932  -5.933  -6.271
  541   1HA   GLY  64          2HA       GLY  64  -8.348  -6.678  -6.921
  542   2HA   GLY  64          1HA       GLY  64  -8.314  -5.222  -7.919
   
  No H/Q in entry =         542
  Start of MODEL          16
 Raw file had  552 H/Q atoms
  Start of MODEL   16
    1   1H    MET   1          2H        MET   1 -15.101   4.522  -3.956
    2   2H    MET   1          1H        MET   1 -15.831   3.682  -5.239
    3   3H    MET   1          3H        MET   1 -16.401   3.468  -3.658
    4    HA   MET   1           HA       MET   1 -14.706   2.106  -3.047
    5   1HB   MET   1          2HB       MET   1 -14.910   1.824  -6.060
    6   2HB   MET   1          1HB       MET   1 -14.132   0.643  -5.008
    7   1HG   MET   1          2HG       MET   1 -16.601   1.119  -3.792
    8   2HG   MET   1          1HG       MET   1 -16.969   1.067  -5.515
    9   1HE   MET   1          2HE       MET   1 -18.491  -0.985  -4.531
   10   2HE   MET   1          1HE       MET   1 -17.985  -0.987  -6.218
   11   3HE   MET   1          3HE       MET   1 -17.931  -2.481  -5.273
   12    H    LYS   2           H        LYS   2 -12.711   2.685  -2.336
   13    HA   LYS   2           HA       LYS   2 -10.933   4.275  -4.068
   14   1HB   LYS   2          2HB       LYS   2 -11.347   4.136  -1.313
   15   2HB   LYS   2          1HB       LYS   2  -9.783   3.356  -1.547
   16   1HG   LYS   2          2HG       LYS   2 -10.581   6.104  -2.552
   17   2HG   LYS   2          1HG       LYS   2  -9.463   5.762  -1.234
   18   1HD   LYS   2          2HD       LYS   2  -7.753   5.436  -2.666
   19   2HD   LYS   2          1HD       LYS   2  -8.709   4.309  -3.633
   20   1HE   LYS   2          2HE       LYS   2  -8.427   5.993  -5.190
   21   2HE   LYS   2          1HE       LYS   2  -9.908   6.558  -4.415
   22   1HZ   LYS   2          3HZ       LYS   2  -8.106   7.637  -2.811
   23   2HZ   LYS   2          2HZ       LYS   2  -7.202   7.615  -4.249
   24   3HZ   LYS   2          1HZ       LYS   2  -8.693   8.427  -4.192
   25    H    THR   3           H        THR   3 -10.650   2.467  -5.651
   26    HA   THR   3           HA       THR   3  -9.006   0.194  -4.674
   27    HB   THR   3           HB       THR   3  -9.354  -0.779  -6.845
   28    HG1  THR   3           HG1      THR   3  -8.984   1.000  -8.130
   29   1HG2  THR   3          2HG2      THR   3 -11.718   0.579  -5.609
   30   2HG2  THR   3          1HG2      THR   3 -11.934  -0.258  -7.146
   31   3HG2  THR   3          3HG2      THR   3 -11.354  -1.143  -5.736
   32    H    GLU   4           H        GLU   4  -8.641   3.297  -6.054
   33    HA   GLU   4           HA       GLU   4  -5.922   2.640  -7.106
   34   1HB   GLU   4          2HB       GLU   4  -8.004   4.431  -7.941
   35   2HB   GLU   4          1HB       GLU   4  -6.586   5.380  -7.510
   36   1HG   GLU   4          2HG       GLU   4  -5.529   3.219  -8.919
   37   2HG   GLU   4          1HG       GLU   4  -7.001   3.613  -9.806
   38    H    TRP   5           H        TRP   5  -4.489   4.763  -6.837
   39    HA   TRP   5           HA       TRP   5  -4.830   6.096  -4.281
   40   1HB   TRP   5          2HB       TRP   5  -2.730   3.955  -4.647
   41   2HB   TRP   5          1HB       TRP   5  -2.627   5.184  -3.393
   42    HD1  TRP   5           HD1      TRP   5  -4.874   5.303  -1.726
   43    HE1  TRP   5           HE1      TRP   5  -6.160   3.313  -0.718
   44    HE3  TRP   5           HE3      TRP   5  -3.508   1.625  -4.992
   45    HZ2  TRP   5           HZ2      TRP   5  -6.538   0.538  -1.235
   46    HZ3  TRP   5           HZ3      TRP   5  -4.345  -0.683  -4.697
   47    HH2  TRP   5           HH2      TRP   5  -5.873  -1.230  -2.827
   48    HA   PRO   6           HA       PRO   6  -1.964   7.925  -7.573
   49   1HB   PRO   6          2HB       PRO   6  -3.699   9.857  -8.503
   50   2HB   PRO   6          1HB       PRO   6  -3.505   8.269  -9.269
   51   1HG   PRO   6          2HG       PRO   6  -5.702   9.240  -7.474
   52   2HG   PRO   6          1HG       PRO   6  -5.776   8.085  -8.818
   53   1HD   PRO   6          2HD       PRO   6  -5.755   7.335  -6.139
   54   2HD   PRO   6          1HD       PRO   6  -5.224   6.298  -7.476
   55    H    GLU   7           H        GLU   7  -4.248   8.961  -5.225
   56    HA   GLU   7           HA       GLU   7  -3.109  11.579  -4.670
   57   1HB   GLU   7          2HB       GLU   7  -5.345  10.247  -3.808
   58   2HB   GLU   7          1HB       GLU   7  -4.282  10.069  -2.410
   59   1HG   GLU   7          2HG       GLU   7  -4.440  12.770  -3.667
   60   2HG   GLU   7          1HG       GLU   7  -5.836  12.230  -2.732
   61    H    LEU   8           H        LEU   8  -2.340   8.298  -3.907
   62    HA   LEU   8           HA       LEU   8  -0.580   8.805  -1.665
   63   1HB   LEU   8          2HB       LEU   8  -1.618   6.568  -3.092
   64   2HB   LEU   8          1HB       LEU   8   0.133   6.420  -3.078
   65    HG   LEU   8           HG       LEU   8  -1.098   5.368  -1.106
   66   1HD1  LEU   8          2HD1      LEU   8   1.099   7.406  -0.861
   67   2HD1  LEU   8          1HD1      LEU   8   0.546   6.509   0.554
   68   3HD1  LEU   8          3HD1      LEU   8   1.212   5.649  -0.835
   69   1HD2  LEU   8          1HD2      LEU   8  -2.168   8.023  -0.986
   70   2HD2  LEU   8          3HD2      LEU   8  -2.543   6.646   0.049
   71   3HD2  LEU   8          2HD2      LEU   8  -1.227   7.739   0.479
   72    H    VAL   9           H        VAL   9  -0.318   9.142  -5.063
   73    HA   VAL   9           HA       VAL   9   2.348   8.550  -5.587
   74    HB   VAL   9           HB       VAL   9   0.621  10.813  -6.601
   75   1HG1  VAL   9          1HG1      VAL   9   3.091  11.408  -6.671
   76   2HG1  VAL   9          3HG1      VAL   9   3.330   9.986  -7.693
   77   3HG1  VAL   9          2HG1      VAL   9   2.315  11.314  -8.257
   78   1HG2  VAL   9          2HG2      VAL   9   1.617   8.202  -7.786
   79   2HG2  VAL   9          1HG2      VAL   9  -0.036   8.562  -7.289
   80   3HG2  VAL   9          3HG2      VAL   9   0.674   9.403  -8.667
   81    H    GLY  10           H        GLY  10   4.287   9.713  -5.455
   82   1HA   GLY  10          2HA       GLY  10   5.844  11.070  -4.368
   83   2HA   GLY  10          1HA       GLY  10   4.619  12.327  -4.522
   84    H    LYS  11           H        LYS  11   3.648   9.550  -2.723
   85    HA   LYS  11           HA       LYS  11   3.942  11.156  -0.222
   86   1HB   LYS  11          2HB       LYS  11   1.661  10.102  -1.244
   87   2HB   LYS  11          1HB       LYS  11   2.195   8.758  -0.235
   88   1HG   LYS  11          2HG       LYS  11   0.897  10.064   1.240
   89   2HG   LYS  11          1HG       LYS  11   2.553  10.552   1.604
   90   1HD   LYS  11          2HD       LYS  11   1.938  12.275  -0.424
   91   2HD   LYS  11          1HD       LYS  11   0.366  12.099   0.356
   92   1HE   LYS  11          2HE       LYS  11   1.018  13.355   2.110
   93   2HE   LYS  11          1HE       LYS  11   2.473  12.382   2.333
   94   1HZ   LYS  11          3HZ       LYS  11   2.306  14.341   0.137
   95   2HZ   LYS  11          2HZ       LYS  11   2.714  14.846   1.706
   96   3HZ   LYS  11          1HZ       LYS  11   3.682  13.706   0.900
   97    H    SER  12           H        SER  12   3.283   8.563   1.265
   98    HA   SER  12           HA       SER  12   5.807   7.069   0.845
   99   1HB   SER  12          2HB       SER  12   5.204   8.856   3.124
  100   2HB   SER  12          1HB       SER  12   5.848   7.270   3.554
  101    HG   SER  12           HG       SER  12   7.026   9.390   2.205
  102    H    VAL  13           H        VAL  13   5.869   5.130   2.351
  103    HA   VAL  13           HA       VAL  13   3.578   3.521   2.024
  104    HB   VAL  13           HB       VAL  13   5.806   3.303   4.067
  105   1HG1  VAL  13          1HG1      VAL  13   3.406   1.660   3.504
  106   2HG1  VAL  13          3HG1      VAL  13   4.921   0.766   3.635
  107   3HG1  VAL  13          2HG1      VAL  13   4.372   1.775   4.975
  108   1HG2  VAL  13          1HG2      VAL  13   6.261   3.257   1.506
  109   2HG2  VAL  13          3HG2      VAL  13   6.916   1.946   2.487
  110   3HG2  VAL  13          2HG2      VAL  13   5.449   1.691   1.542
  111    H    GLU  14           H        GLU  14   4.475   5.690   4.664
  112    HA   GLU  14           HA       GLU  14   2.788   4.868   6.710
  113   1HB   GLU  14          2HB       GLU  14   3.410   7.657   5.715
  114   2HB   GLU  14          1HB       GLU  14   2.444   7.372   7.164
  115   1HG   GLU  14          2HG       GLU  14   4.753   5.698   7.312
  116   2HG   GLU  14          1HG       GLU  14   5.293   7.329   6.909
  117    H    GLU  15           H        GLU  15   1.722   7.415   4.440
  118    HA   GLU  15           HA       GLU  15  -1.066   7.051   4.950
  119   1HB   GLU  15          2HB       GLU  15   0.569   8.695   3.296
  120   2HB   GLU  15          1HB       GLU  15  -0.644   7.947   2.256
  121   1HG   GLU  15          2HG       GLU  15  -2.024   9.588   2.993
  122   2HG   GLU  15          1HG       GLU  15  -2.128   8.635   4.473
  123    H    ALA  16           H        ALA  16   1.094   5.573   2.531
  124    HA   ALA  16           HA       ALA  16  -0.917   4.339   0.959
  125   1HB   ALA  16          1HB       ALA  16   1.591   4.437   0.493
  126   2HB   ALA  16          3HB       ALA  16   1.758   3.073   1.593
  127   3HB   ALA  16          2HB       ALA  16   0.803   2.905   0.121
  128    H    LYS  17           H        LYS  17   1.101   2.323   3.119
  129    HA   LYS  17           HA       LYS  17  -0.760   0.249   3.398
  130   1HB   LYS  17          2HB       LYS  17   1.559   0.078   4.201
  131   2HB   LYS  17          1HB       LYS  17   1.218   1.263   5.463
  132   1HG   LYS  17          2HG       LYS  17   0.654  -0.485   6.775
  133   2HG   LYS  17          1HG       LYS  17  -0.796  -0.631   5.780
  134   1HD   LYS  17          2HD       LYS  17   1.167  -1.873   4.251
  135   2HD   LYS  17          1HD       LYS  17   1.547  -2.374   5.901
  136   1HE   LYS  17          2HE       LYS  17  -1.315  -2.437   5.043
  137   2HE   LYS  17          1HE       LYS  17  -0.242  -3.697   4.434
  138   1HZ   LYS  17          2HZ       LYS  17   0.251  -3.316   7.173
  139   2HZ   LYS  17          1HZ       LYS  17  -1.420  -3.524   6.952
  140   3HZ   LYS  17          3HZ       LYS  17  -0.339  -4.702   6.388
  141    H    LYS  18           H        LYS  18  -0.583   3.311   5.059
  142    HA   LYS  18           HA       LYS  18  -2.308   2.876   7.238
  143   1HB   LYS  18          2HB       LYS  18  -1.100   4.927   7.093
  144   2HB   LYS  18          1HB       LYS  18  -1.791   5.302   5.509
  145   1HG   LYS  18          2HG       LYS  18  -3.491   6.385   6.512
  146   2HG   LYS  18          1HG       LYS  18  -3.944   4.906   7.361
  147   1HD   LYS  18          2HD       LYS  18  -1.567   6.195   8.496
  148   2HD   LYS  18          1HD       LYS  18  -3.007   7.211   8.568
  149   1HE   LYS  18          2HE       LYS  18  -4.259   5.379   9.638
  150   2HE   LYS  18          1HE       LYS  18  -2.832   4.347   9.552
  151   1HZ   LYS  18          2HZ       LYS  18  -2.308   6.894  10.759
  152   2HZ   LYS  18          1HZ       LYS  18  -3.468   5.993  11.611
  153   3HZ   LYS  18          3HZ       LYS  18  -1.935   5.333  11.316
  154    H    VAL  19           H        VAL  19  -3.463   4.901   4.601
  155    HA   VAL  19           HA       VAL  19  -6.210   4.276   5.061
  156    HB   VAL  19           HB       VAL  19  -5.233   5.180   2.363
  157   1HG1  VAL  19          2HG1      VAL  19  -7.666   4.922   2.891
  158   2HG1  VAL  19          1HG1      VAL  19  -7.479   6.122   4.170
  159   3HG1  VAL  19          3HG1      VAL  19  -7.222   6.580   2.487
  160   1HG2  VAL  19          1HG2      VAL  19  -5.012   6.658   4.990
  161   2HG2  VAL  19          3HG2      VAL  19  -3.797   6.503   3.718
  162   3HG2  VAL  19          2HG2      VAL  19  -5.213   7.530   3.471
  163    H    ILE  20           H        ILE  20  -3.855   2.836   2.856
  164    HA   ILE  20           HA       ILE  20  -5.567   1.347   1.209
  165    HB   ILE  20           HB       ILE  20  -2.843   0.697   2.350
  166   1HG1  ILE  20          2HG1      ILE  20  -1.975   1.678   0.483
  167   2HG1  ILE  20          1HG1      ILE  20  -3.277   1.112  -0.556
  168   1HG2  ILE  20          1HG2      ILE  20  -4.719  -1.064   1.075
  169   2HG2  ILE  20          3HG2      ILE  20  -3.357  -0.795  -0.010
  170   3HG2  ILE  20          2HG2      ILE  20  -3.077  -1.411   1.618
  171   1HD1  ILE  20          2HD1      ILE  20  -4.746   2.891   0.513
  172   2HD1  ILE  20          1HD1      ILE  20  -3.292   3.520   1.286
  173   3HD1  ILE  20          3HD1      ILE  20  -3.418   3.509  -0.468
  174    H    LEU  21           H        LEU  21  -4.178   0.374   4.376
  175    HA   LEU  21           HA       LEU  21  -5.118  -2.156   4.762
  176   1HB   LEU  21          2HB       LEU  21  -4.059  -1.010   6.596
  177   2HB   LEU  21          1HB       LEU  21  -5.373   0.169   6.687
  178    HG   LEU  21           HG       LEU  21  -6.197  -2.669   6.904
  179   1HD1  LEU  21          3HD1      LEU  21  -3.966  -2.288   8.243
  180   2HD1  LEU  21          2HD1      LEU  21  -5.009  -1.397   9.352
  181   3HD1  LEU  21          1HD1      LEU  21  -5.322  -3.101   9.024
  182   1HD2  LEU  21          1HD2      LEU  21  -7.161  -0.055   7.539
  183   2HD2  LEU  21          3HD2      LEU  21  -8.007  -1.594   7.702
  184   3HD2  LEU  21          2HD2      LEU  21  -7.047  -0.968   9.043
  185    H    GLN  22           H        GLN  22  -7.157   0.703   4.550
  186    HA   GLN  22           HA       GLN  22  -9.489  -1.093   4.237
  187   1HB   GLN  22          2HB       GLN  22  -8.989   0.360   6.625
  188   2HB   GLN  22          1HB       GLN  22 -10.314   1.174   5.793
  189   1HG   GLN  22          2HG       GLN  22 -11.640  -0.807   5.727
  190   2HG   GLN  22          1HG       GLN  22 -10.266  -1.838   6.146
  191   1HE2  GLN  22          2HE2      GLN  22 -11.823  -1.615   9.393
  192   2HE2  GLN  22          1HE2      GLN  22 -11.804  -2.547   7.974
  193    H    ASP  23           H        ASP  23  -8.433   0.022   2.133
  194    HA   ASP  23           HA       ASP  23  -9.153   2.727   1.533
  195   1HB   ASP  23          2HB       ASP  23  -9.035   1.767  -0.909
  196   2HB   ASP  23          1HB       ASP  23  -7.564   1.861   0.055
  197    H    LYS  24           H        LYS  24 -10.650  -0.282   0.310
  198    HA   LYS  24           HA       LYS  24 -13.201   1.238   0.154
  199   1HB   LYS  24          2HB       LYS  24 -13.513  -1.046  -1.444
  200   2HB   LYS  24          1HB       LYS  24 -13.222   0.590  -2.000
  201   1HG   LYS  24          2HG       LYS  24 -10.747   0.185  -1.700
  202   2HG   LYS  24          1HG       LYS  24 -11.108  -1.512  -1.434
  203   1HD   LYS  24          2HD       LYS  24 -12.051  -0.060  -3.898
  204   2HD   LYS  24          1HD       LYS  24 -10.450  -0.805  -3.809
  205   1HE   LYS  24          2HE       LYS  24 -11.309  -2.867  -4.104
  206   2HE   LYS  24          1HE       LYS  24 -12.516  -2.615  -2.845
  207   1HZ   LYS  24          2HZ       LYS  24 -13.408  -1.047  -4.843
  208   2HZ   LYS  24          1HZ       LYS  24 -12.763  -2.362  -5.702
  209   3HZ   LYS  24          3HZ       LYS  24 -13.960  -2.621  -4.528
  210    HA   PRO  25           HA       PRO  25 -14.597  -2.528   2.477
  211   1HB   PRO  25          2HB       PRO  25 -13.616  -5.042   1.989
  212   2HB   PRO  25          1HB       PRO  25 -14.895  -4.315   1.000
  213   1HG   PRO  25          2HG       PRO  25 -12.060  -4.808   0.302
  214   2HG   PRO  25          1HG       PRO  25 -13.446  -4.549  -0.765
  215   1HD   PRO  25          2HD       PRO  25 -11.429  -2.630  -0.038
  216   2HD   PRO  25          1HD       PRO  25 -12.861  -2.389  -1.044
  217    H    GLU  26           H        GLU  26 -11.496  -4.125   1.888
  218    HA   GLU  26           HA       GLU  26 -10.094  -2.986   4.148
  219   1HB   GLU  26          2HB       GLU  26 -10.652  -5.950   4.340
  220   2HB   GLU  26          1HB       GLU  26  -9.971  -4.878   5.561
  221   1HG   GLU  26          2HG       GLU  26 -12.156  -3.724   5.749
  222   2HG   GLU  26          1HG       GLU  26 -12.831  -4.831   4.549
  223    H    ALA  27           H        ALA  27  -9.154  -2.815   1.728
  224    HA   ALA  27           HA       ALA  27  -7.732  -5.256   0.942
  225   1HB   ALA  27          2HB       ALA  27  -8.065  -2.511  -0.244
  226   2HB   ALA  27          1HB       ALA  27  -6.773  -3.563  -0.822
  227   3HB   ALA  27          3HB       ALA  27  -8.456  -4.078  -0.951
  228    H    GLN  28           H        GLN  28  -5.791  -5.748   1.788
  229    HA   GLN  28           HA       GLN  28  -4.281  -3.701   3.271
  230   1HB   GLN  28          2HB       GLN  28  -4.662  -6.418   3.625
  231   2HB   GLN  28          1HB       GLN  28  -3.036  -6.341   2.939
  232   1HG   GLN  28          2HG       GLN  28  -2.200  -5.091   4.718
  233   2HG   GLN  28          1HG       GLN  28  -3.784  -4.433   5.134
  234   1HE2  GLN  28          2HE2      GLN  28  -4.773  -7.604   6.737
  235   2HE2  GLN  28          1HE2      GLN  28  -5.405  -6.546   5.571
  236    H    ILE  29           H        ILE  29  -1.770  -3.866   2.898
  237    HA   ILE  29           HA       ILE  29  -1.150  -4.304   0.047
  238    HB   ILE  29           HB       ILE  29  -1.870  -1.946   0.232
  239   1HG1  ILE  29          2HG1      ILE  29   1.121  -2.190  -0.175
  240   2HG1  ILE  29          1HG1      ILE  29  -0.080  -2.702  -1.363
  241   1HG2  ILE  29          3HG2      ILE  29  -0.773  -1.960   2.690
  242   2HG2  ILE  29          2HG2      ILE  29   0.576  -1.270   1.785
  243   3HG2  ILE  29          1HG2      ILE  29  -1.000  -0.478   1.760
  244   1HD1  ILE  29          1HD1      ILE  29  -1.037  -0.292  -1.084
  245   2HD1  ILE  29          3HD1      ILE  29   0.544   0.081  -0.395
  246   3HD1  ILE  29          2HD1      ILE  29   0.420  -0.511  -2.052
  247    H    ILE  30           H        ILE  30   0.871  -5.076  -0.241
  248    HA   ILE  30           HA       ILE  30   2.577  -5.454   2.136
  249    HB   ILE  30           HB       ILE  30   2.477  -6.546  -0.662
  250   1HG1  ILE  30          2HG1      ILE  30   2.756  -7.759   2.104
  251   2HG1  ILE  30          1HG1      ILE  30   1.288  -7.714   1.126
  252   1HG2  ILE  30          1HG2      ILE  30   4.925  -6.089   0.922
  253   2HG2  ILE  30          3HG2      ILE  30   4.721  -7.743   0.343
  254   3HG2  ILE  30          2HG2      ILE  30   4.742  -6.402  -0.807
  255   1HD1  ILE  30          2HD1      ILE  30   2.736  -8.942  -0.666
  256   2HD1  ILE  30          1HD1      ILE  30   3.798  -9.320   0.691
  257   3HD1  ILE  30          3HD1      ILE  30   2.121  -9.868   0.703
  258    H    VAL  31           H        VAL  31   4.727  -4.549   2.234
  259    HA   VAL  31           HA       VAL  31   5.118  -2.330   0.274
  260    HB   VAL  31           HB       VAL  31   4.676  -1.450   2.491
  261   1HG1  VAL  31          3HG1      VAL  31   6.930  -3.291   3.342
  262   2HG1  VAL  31          2HG1      VAL  31   6.221  -2.048   4.372
  263   3HG1  VAL  31          1HG1      VAL  31   5.237  -3.405   3.823
  264   1HG2  VAL  31          1HG2      VAL  31   6.609  -0.558   0.986
  265   2HG2  VAL  31          3HG2      VAL  31   6.545  -0.021   2.666
  266   3HG2  VAL  31          2HG2      VAL  31   7.673  -1.290   2.186
  267    H    LEU  32           H        LEU  32   6.981  -2.262  -0.831
  268    HA   LEU  32           HA       LEU  32   9.376  -3.652   0.163
  269   1HB   LEU  32          2HB       LEU  32   9.691  -4.780  -2.095
  270   2HB   LEU  32          1HB       LEU  32   8.442  -5.471  -1.091
  271    HG   LEU  32           HG       LEU  32   8.017  -3.592  -3.413
  272   1HD1  LEU  32          1HD1      LEU  32   8.195  -6.507  -3.028
  273   2HD1  LEU  32          3HD1      LEU  32   6.734  -5.999  -3.872
  274   3HD1  LEU  32          2HD1      LEU  32   8.322  -5.568  -4.512
  275   1HD2  LEU  32          2HD2      LEU  32   6.253  -4.605  -1.238
  276   2HD2  LEU  32          1HD2      LEU  32   6.086  -3.157  -2.231
  277   3HD2  LEU  32          3HD2      LEU  32   5.599  -4.726  -2.871
  278    HA   PRO  33           HA       PRO  33  11.300  -0.249  -1.652
  279   1HB   PRO  33          2HB       PRO  33  13.684  -1.292  -2.525
  280   2HB   PRO  33          1HB       PRO  33  13.298  -1.014  -0.818
  281   1HG   PRO  33          2HG       PRO  33  13.349  -3.589  -2.343
  282   2HG   PRO  33          1HG       PRO  33  13.701  -3.287  -0.629
  283   1HD   PRO  33          2HD       PRO  33  11.300  -4.338  -1.600
  284   2HD   PRO  33          1HD       PRO  33  11.503  -3.587  -0.005
  285    H    VAL  34           H        VAL  34  12.818  -2.496  -3.858
  286    HA   VAL  34           HA       VAL  34  11.035  -2.150  -6.077
  287    HB   VAL  34           HB       VAL  34  12.938  -0.706  -7.316
  288   1HG1  VAL  34          3HG1      VAL  34  10.348  -0.271  -6.357
  289   2HG1  VAL  34          2HG1      VAL  34  11.270   1.108  -5.761
  290   3HG1  VAL  34          1HG1      VAL  34  11.227   0.756  -7.488
  291   1HG2  VAL  34          1HG2      VAL  34  14.229  -0.605  -5.111
  292   2HG2  VAL  34          3HG2      VAL  34  13.922   0.949  -5.888
  293   3HG2  VAL  34          2HG2      VAL  34  12.941   0.441  -4.513
  294    H    GLY  35           H        GLY  35  14.310  -2.665  -4.885
  295   1HA   GLY  35          2HA       GLY  35  15.018  -4.357  -7.190
  296   2HA   GLY  35          1HA       GLY  35  16.067  -3.951  -5.830
  297    H    THR  36           H        THR  36  15.918  -5.176  -3.905
  298    HA   THR  36           HA       THR  36  15.502  -7.925  -4.100
  299    HB   THR  36           HB       THR  36  16.611  -7.272  -2.150
  300    HG1  THR  36           HG1      THR  36  15.214  -7.857  -0.436
  301   1HG2  THR  36          2HG2      THR  36  14.420  -5.212  -1.933
  302   2HG2  THR  36          1HG2      THR  36  15.462  -5.583  -0.558
  303   3HG2  THR  36          3HG2      THR  36  16.161  -4.956  -2.051
  304    H    ILE  37           H        ILE  37  13.693  -9.138  -4.374
  305    HA   ILE  37           HA       ILE  37  11.053  -7.871  -4.202
  306    HB   ILE  37           HB       ILE  37  11.585  -9.498  -6.001
  307   1HG1  ILE  37          2HG1      ILE  37   9.521 -10.734  -4.175
  308   2HG1  ILE  37          1HG1      ILE  37   9.241  -9.176  -4.951
  309   1HG2  ILE  37          1HG2      ILE  37  12.766 -10.933  -3.919
  310   2HG2  ILE  37          3HG2      ILE  37  11.328 -11.871  -4.318
  311   3HG2  ILE  37          2HG2      ILE  37  12.520 -11.511  -5.567
  312   1HD1  ILE  37          3HD1      ILE  37  10.187 -10.747  -7.028
  313   2HD1  ILE  37          2HD1      ILE  37   9.182 -11.865  -6.106
  314   3HD1  ILE  37          1HD1      ILE  37   8.492 -10.364  -6.723
  315    H    VAL  38           H        VAL  38   9.289  -8.970  -2.916
  316    HA   VAL  38           HA       VAL  38  10.215  -9.384  -0.183
  317    HB   VAL  38           HB       VAL  38   7.993  -8.277  -1.024
  318   1HG1  VAL  38          1HG1      VAL  38   7.547 -10.776  -2.058
  319   2HG1  VAL  38          3HG1      VAL  38   6.685 -10.877  -0.524
  320   3HG1  VAL  38          2HG1      VAL  38   6.274  -9.614  -1.685
  321   1HG2  VAL  38          3HG2      VAL  38   8.839  -9.441   1.386
  322   2HG2  VAL  38          2HG2      VAL  38   7.528  -8.280   1.181
  323   3HG2  VAL  38          1HG2      VAL  38   7.185 -10.009   1.163
  324    H    THR  39           H        THR  39   9.165 -11.362   1.031
  325    HA   THR  39           HA       THR  39  10.075 -13.765  -0.428
  326    HB   THR  39           HB       THR  39   9.853 -14.878   1.782
  327    HG1  THR  39           HG1      THR  39   9.084 -12.299   2.672
  328   1HG2  THR  39          3HG2      THR  39  11.883 -13.482   1.073
  329   2HG2  THR  39          2HG2      THR  39  11.252 -12.226   2.138
  330   3HG2  THR  39          1HG2      THR  39  11.709 -13.797   2.799
  331   1H    GLU  41          2H        GLU  41 -11.721  -9.842 -11.508
  332   2H    GLU  41          1H        GLU  41 -10.206  -9.204 -11.933
  333   3H    GLU  41          3H        GLU  41 -10.493 -10.869 -12.078
  334    HA   GLU  41           HA       GLU  41 -10.113 -11.279  -9.922
  335   1HB   GLU  41          2HB       GLU  41  -8.941  -8.505 -10.273
  336   2HB   GLU  41          1HB       GLU  41  -8.591  -9.546  -8.893
  337   1HG   GLU  41          2HG       GLU  41  -7.036 -10.637 -10.095
  338   2HG   GLU  41          1HG       GLU  41  -8.261 -11.088 -11.282
  339    H    TYR  42           H        TYR  42 -10.489 -10.638  -7.612
  340    HA   TYR  42           HA       TYR  42 -13.001  -9.067  -7.430
  341   1HB   TYR  42          2HB       TYR  42 -12.974 -10.150  -5.046
  342   2HB   TYR  42          1HB       TYR  42 -13.357 -11.149  -6.437
  343    HD1  TYR  42           HD1      TYR  42  -9.996  -9.900  -5.321
  344    HD2  TYR  42           HD2      TYR  42 -12.593 -13.269  -5.887
  345    HE1  TYR  42           HE1      TYR  42  -8.124 -11.425  -4.799
  346    HE2  TYR  42           HE2      TYR  42 -10.719 -14.799  -5.370
  347    HH   TYR  42           HH       TYR  42  -7.657 -13.610  -4.162
  348    H    ARG  43           H        ARG  43 -11.747  -9.142  -4.346
  349    HA   ARG  43           HA       ARG  43 -10.387  -6.509  -4.739
  350   1HB   ARG  43          2HB       ARG  43 -11.429  -5.663  -2.764
  351   2HB   ARG  43          1HB       ARG  43 -12.721  -6.432  -3.687
  352   1HG   ARG  43          2HG       ARG  43 -11.847  -8.548  -2.215
  353   2HG   ARG  43          1HG       ARG  43 -11.519  -7.226  -1.093
  354   1HD   ARG  43          2HD       ARG  43 -14.064  -6.682  -2.182
  355   2HD   ARG  43          1HD       ARG  43 -14.061  -8.407  -1.819
  356    HE   ARG  43           HE       ARG  43 -12.965  -6.920   0.390
  357   1HH1  ARG  43          1HH2      ARG  43 -15.912  -7.093  -1.341
  358   2HH1  ARG  43          2HH2      ARG  43 -16.906  -7.192   0.074
  359   1HH2  ARG  43          2HH1      ARG  43 -14.227  -7.317   2.272
  360   2HH2  ARG  43          1HH1      ARG  43 -15.953  -7.319   2.118
  361    H    ILE  44           H        ILE  44  -8.688  -8.573  -4.798
  362    HA   ILE  44           HA       ILE  44  -7.855  -9.879  -2.500
  363    HB   ILE  44           HB       ILE  44  -6.603 -10.201  -4.546
  364   1HG1  ILE  44          2HG1      ILE  44  -4.338  -9.012  -3.256
  365   2HG1  ILE  44          1HG1      ILE  44  -5.435  -9.604  -2.003
  366   1HG2  ILE  44          1HG2      ILE  44  -5.758  -7.305  -4.202
  367   2HG2  ILE  44          3HG2      ILE  44  -5.158  -8.404  -5.445
  368   3HG2  ILE  44          2HG2      ILE  44  -6.852  -7.914  -5.444
  369   1HD1  ILE  44          3HD1      ILE  44  -5.165 -11.483  -4.232
  370   2HD1  ILE  44          2HD1      ILE  44  -3.625 -11.153  -3.438
  371   3HD1  ILE  44          1HD1      ILE  44  -4.988 -11.764  -2.500
  372    H    ASP  45           H        ASP  45  -6.911  -9.282  -0.580
  373    HA   ASP  45           HA       ASP  45  -6.811  -6.382  -0.080
  374   1HB   ASP  45          2HB       ASP  45  -7.179  -6.892   2.167
  375   2HB   ASP  45          1HB       ASP  45  -7.956  -8.259   1.370
  376    H    ARG  46           H        ARG  46  -4.775  -7.195  -1.737
  377    HA   ARG  46           HA       ARG  46  -2.422  -6.579  -0.057
  378   1HB   ARG  46          2HB       ARG  46  -2.444  -9.047  -0.167
  379   2HB   ARG  46          1HB       ARG  46  -2.525  -8.972  -1.926
  380   1HG   ARG  46          2HG       ARG  46  -0.354  -7.735  -1.931
  381   2HG   ARG  46          1HG       ARG  46  -0.265  -7.954  -0.182
  382   1HD   ARG  46          2HD       ARG  46   0.819  -9.887  -0.669
  383   2HD   ARG  46          1HD       ARG  46  -0.788 -10.510  -1.053
  384    HE   ARG  46           HE       ARG  46   0.720  -9.172  -3.230
  385   1HH1  ARG  46          2HH1      ARG  46   0.203 -12.123  -1.591
  386   2HH1  ARG  46          1HH1      ARG  46   0.064 -13.072  -3.033
  387   1HH2  ARG  46          1HH2      ARG  46   0.234 -10.342  -5.164
  388   2HH2  ARG  46          2HH2      ARG  46   0.084 -12.063  -5.056
  389    H    VAL  47           H        VAL  47  -0.831  -5.443  -1.231
  390    HA   VAL  47           HA       VAL  47  -1.099  -5.152  -4.152
  391    HB   VAL  47           HB       VAL  47  -0.931  -2.490  -3.007
  392   1HG1  VAL  47          3HG1      VAL  47  -1.523  -3.199  -5.351
  393   2HG1  VAL  47          2HG1      VAL  47  -3.081  -3.738  -4.726
  394   3HG1  VAL  47          1HG1      VAL  47  -2.635  -2.034  -4.634
  395   1HG2  VAL  47          1HG2      VAL  47  -3.353  -4.157  -2.266
  396   2HG2  VAL  47          3HG2      VAL  47  -2.270  -3.312  -1.162
  397   3HG2  VAL  47          2HG2      VAL  47  -3.325  -2.395  -2.236
  398    H    ARG  48           H        ARG  48   0.863  -4.471  -5.106
  399    HA   ARG  48           HA       ARG  48   3.207  -4.683  -3.381
  400   1HB   ARG  48          2HB       ARG  48   2.918  -3.989  -6.314
  401   2HB   ARG  48          1HB       ARG  48   4.473  -4.165  -5.501
  402   1HG   ARG  48          2HG       ARG  48   2.339  -6.306  -5.815
  403   2HG   ARG  48          1HG       ARG  48   3.897  -6.256  -6.632
  404   1HD   ARG  48          2HD       ARG  48   4.904  -7.255  -4.885
  405   2HD   ARG  48          1HD       ARG  48   4.282  -6.044  -3.767
  406    HE   ARG  48           HE       ARG  48   2.408  -7.476  -3.314
  407   1HH1  ARG  48          1HH2      ARG  48   2.635  -8.437  -6.346
  408   2HH1  ARG  48          2HH2      ARG  48   2.815 -10.136  -6.066
  409   1HH2  ARG  48          2HH1      ARG  48   3.466  -9.781  -2.681
  410   2HH2  ARG  48          1HH1      ARG  48   3.288 -10.895  -3.995
  411    H    LEU  49           H        LEU  49   3.875  -2.970  -2.167
  412    HA   LEU  49           HA       LEU  49   3.424  -0.256  -3.317
  413   1HB   LEU  49          2HB       LEU  49   2.375  -0.413  -1.149
  414   2HB   LEU  49          1HB       LEU  49   3.834  -1.110  -0.440
  415    HG   LEU  49           HG       LEU  49   4.998   0.916  -0.499
  416   1HD1  LEU  49          1HD1      LEU  49   3.144   1.588  -2.774
  417   2HD1  LEU  49          3HD1      LEU  49   3.977   2.883  -1.917
  418   3HD1  LEU  49          2HD1      LEU  49   4.907   1.626  -2.736
  419   1HD2  LEU  49          3HD2      LEU  49   2.121   1.215   0.137
  420   2HD2  LEU  49          2HD2      LEU  49   3.537   1.566   1.128
  421   3HD2  LEU  49          1HD2      LEU  49   3.008   2.722  -0.095
  422    H    PHE  50           H        PHE  50   5.307  -0.564  -4.654
  423    HA   PHE  50           HA       PHE  50   7.921  -1.087  -3.594
  424   1HB   PHE  50          2HB       PHE  50   6.805   0.127  -6.104
  425   2HB   PHE  50          1HB       PHE  50   8.553   0.168  -5.817
  426    HD1  PHE  50           HD1      PHE  50   6.458  -2.542  -4.496
  427    HD2  PHE  50           HD2      PHE  50   9.011  -1.311  -7.720
  428    HE1  PHE  50           HE1      PHE  50   6.568  -4.869  -5.297
  429    HE2  PHE  50           HE2      PHE  50   9.137  -3.654  -8.514
  430    HZ   PHE  50           HZ       PHE  50   7.914  -5.440  -7.302
  431    H    VAL  51           H        VAL  51   9.409   1.197  -4.575
  432    HA   VAL  51           HA       VAL  51   8.339   3.535  -3.130
  433    HB   VAL  51           HB       VAL  51  10.319   3.781  -1.711
  434   1HG1  VAL  51          2HG1      VAL  51   8.273   2.282  -1.093
  435   2HG1  VAL  51          1HG1      VAL  51   9.409   0.948  -1.288
  436   3HG1  VAL  51          3HG1      VAL  51   9.722   2.204  -0.090
  437   1HG2  VAL  51          1HG2      VAL  51  11.191   1.394  -3.288
  438   2HG2  VAL  51          3HG2      VAL  51  12.125   2.799  -2.776
  439   3HG2  VAL  51          2HG2      VAL  51  11.733   1.533  -1.615
  440    H    ASP  52           H        ASP  52  10.496   5.184  -3.137
  441    HA   ASP  52           HA       ASP  52  11.461   5.085  -5.962
  442   1HB   ASP  52          2HB       ASP  52  10.990   7.330  -6.303
  443   2HB   ASP  52          1HB       ASP  52   9.669   6.897  -5.226
  444    H    LYS  53           H        LYS  53  13.055   7.492  -5.522
  445    HA   LYS  53           HA       LYS  53  15.499   6.336  -4.670
  446   1HB   LYS  53          2HB       LYS  53  14.775   9.263  -4.640
  447   2HB   LYS  53          1HB       LYS  53  16.365   8.556  -4.940
  448   1HG   LYS  53          2HG       LYS  53  15.260   7.398  -6.961
  449   2HG   LYS  53          1HG       LYS  53  13.919   8.522  -6.723
  450   1HD   LYS  53          2HD       LYS  53  15.415   9.516  -8.337
  451   2HD   LYS  53          1HD       LYS  53  15.598  10.409  -6.828
  452   1HE   LYS  53          2HE       LYS  53  17.671   9.399  -6.339
  453   2HE   LYS  53          1HE       LYS  53  17.393   8.073  -7.467
  454   1HZ   LYS  53          1HZ       LYS  53  17.240  10.249  -9.055
  455   2HZ   LYS  53          3HZ       LYS  53  18.445  10.708  -7.954
  456   3HZ   LYS  53          2HZ       LYS  53  18.624   9.283  -8.859
  457    H    LEU  54           H        LEU  54  13.612   8.915  -3.047
  458    HA   LEU  54           HA       LEU  54  14.912   8.188  -0.481
  459   1HB   LEU  54          2HB       LEU  54  14.625  10.603  -1.402
  460   2HB   LEU  54          1HB       LEU  54  12.949  10.435  -0.876
  461    HG   LEU  54           HG       LEU  54  14.155   9.549   1.351
  462   1HD1  LEU  54          2HD1      LEU  54  16.231  10.963  -0.208
  463   2HD1  LEU  54          1HD1      LEU  54  16.075  11.492   1.465
  464   3HD1  LEU  54          3HD1      LEU  54  16.407   9.799   1.105
  465   1HD2  LEU  54          1HD2      LEU  54  13.591  12.381   0.460
  466   2HD2  LEU  54          3HD2      LEU  54  12.604  11.337   1.481
  467   3HD2  LEU  54          2HD2      LEU  54  14.103  12.019   2.108
  468    H    ASP  55           H        ASP  55  13.152   6.215  -1.296
  469    HA   ASP  55           HA       ASP  55  11.151   5.109  -0.721
  470   1HB   ASP  55          2HB       ASP  55  10.780   6.135   1.922
  471   2HB   ASP  55          1HB       ASP  55  11.440   4.568   1.440
  472    H    ASN  56           H        ASN  56  10.221   6.860  -2.258
  473    HA   ASN  56           HA       ASN  56   8.003   8.225  -0.817
  474   1HB   ASN  56          2HB       ASN  56   9.330  10.090  -1.337
  475   2HB   ASN  56          1HB       ASN  56   9.918   9.372  -2.835
  476   1HD2  ASN  56          2HD2      ASN  56   7.598  11.618  -4.346
  477   2HD2  ASN  56          1HD2      ASN  56   9.234  11.362  -3.981
  478    H    ILE  57           H        ILE  57   6.317   7.052  -1.420
  479    HA   ILE  57           HA       ILE  57   5.865   5.245  -3.348
  480    HB   ILE  57           HB       ILE  57   3.813   7.414  -2.917
  481   1HG1  ILE  57          2HG1      ILE  57   4.615   6.896  -0.714
  482   2HG1  ILE  57          1HG1      ILE  57   3.124   5.982  -0.935
  483   1HG2  ILE  57          2HG2      ILE  57   3.836   4.567  -3.804
  484   2HG2  ILE  57          1HG2      ILE  57   2.460   5.120  -2.849
  485   3HG2  ILE  57          3HG2      ILE  57   2.850   5.913  -4.375
  486   1HD1  ILE  57          3HD1      ILE  57   5.156   4.322  -1.938
  487   2HD1  ILE  57          2HD1      ILE  57   5.803   4.998  -0.444
  488   3HD1  ILE  57          1HD1      ILE  57   4.274   4.120  -0.426
  489    H    ALA  58           H        ALA  58   7.164   5.681  -5.189
  490    HA   ALA  58           HA       ALA  58   6.357   7.919  -6.953
  491   1HB   ALA  58          3HB       ALA  58   8.654   6.041  -6.786
  492   2HB   ALA  58          2HB       ALA  58   8.165   6.510  -8.414
  493   3HB   ALA  58          1HB       ALA  58   8.628   7.745  -7.243
  494    H    GLN  59           H        GLN  59   5.888   4.519  -6.502
  495    HA   GLN  59           HA       GLN  59   4.338   4.402  -9.060
  496   1HB   GLN  59          2HB       GLN  59   6.498   2.815  -8.386
  497   2HB   GLN  59          1HB       GLN  59   5.126   1.824  -7.882
  498   1HG   GLN  59          2HG       GLN  59   4.251   2.758 -10.301
  499   2HG   GLN  59          1HG       GLN  59   5.983   2.607 -10.596
  500   1HE2  GLN  59          2HE2      GLN  59   5.988  -0.964 -10.260
  501   2HE2  GLN  59          1HE2      GLN  59   6.966   0.418 -10.131
  502    H    VAL  60           H        VAL  60   2.343   4.946  -8.172
  503    HA   VAL  60           HA       VAL  60   1.314   4.123  -5.677
  504    HB   VAL  60           HB       VAL  60   0.100   5.041  -8.264
  505   1HG1  VAL  60          1HG1      VAL  60  -1.389   3.901  -5.894
  506   2HG1  VAL  60          3HG1      VAL  60  -2.132   5.051  -7.004
  507   3HG1  VAL  60          2HG1      VAL  60  -1.578   3.483  -7.594
  508   1HG2  VAL  60          2HG2      VAL  60   0.112   6.060  -5.406
  509   2HG2  VAL  60          1HG2      VAL  60   1.080   6.683  -6.742
  510   3HG2  VAL  60          3HG2      VAL  60  -0.672   6.872  -6.761
  511    HA   PRO  61           HA       PRO  61   0.496  -0.174  -6.446
  512   1HB   PRO  61          2HB       PRO  61  -0.957  -0.614  -4.152
  513   2HB   PRO  61          1HB       PRO  61   0.811  -0.500  -4.181
  514   1HG   PRO  61          2HG       PRO  61  -1.184   1.503  -3.220
  515   2HG   PRO  61          1HG       PRO  61   0.494   1.255  -2.709
  516   1HD   PRO  61          2HD       PRO  61  -0.411   3.285  -4.447
  517   2HD   PRO  61          1HD       PRO  61   1.281   2.792  -4.219
  518    H    ARG  62           H        ARG  62  -1.610  -1.618  -6.450
  519    HA   ARG  62           HA       ARG  62  -4.092  -0.053  -6.811
  520   1HB   ARG  62          2HB       ARG  62  -2.454  -0.711  -9.020
  521   2HB   ARG  62          1HB       ARG  62  -3.838  -1.805  -9.083
  522   1HG   ARG  62          2HG       ARG  62  -4.662   0.062 -10.221
  523   2HG   ARG  62          1HG       ARG  62  -5.226   0.367  -8.577
  524   1HD   ARG  62          2HD       ARG  62  -3.918   2.199  -8.364
  525   2HD   ARG  62          1HD       ARG  62  -2.514   1.366  -9.034
  526    HE   ARG  62           HE       ARG  62  -4.603   2.740 -10.664
  527   1HH1  ARG  62          2HH1      ARG  62  -1.362   2.688  -9.956
  528   2HH1  ARG  62          1HH1      ARG  62  -0.805   2.604 -11.594
  529   1HH2  ARG  62          1HH2      ARG  62  -3.957   2.029 -12.917
  530   2HH2  ARG  62          2HH2      ARG  62  -2.274   2.232 -13.269
  531    H    VAL  63           H        VAL  63  -5.871  -1.235  -6.253
  532    HA   VAL  63           HA       VAL  63  -5.540  -4.198  -5.974
  533    HB   VAL  63           HB       VAL  63  -6.725  -2.157  -4.105
  534   1HG1  VAL  63          2HG1      VAL  63  -8.506  -3.846  -4.531
  535   2HG1  VAL  63          1HG1      VAL  63  -7.375  -5.122  -4.084
  536   3HG1  VAL  63          3HG1      VAL  63  -7.887  -3.936  -2.880
  537   1HG2  VAL  63          1HG2      VAL  63  -4.930  -4.582  -3.780
  538   2HG2  VAL  63          3HG2      VAL  63  -4.433  -2.892  -3.703
  539   3HG2  VAL  63          2HG2      VAL  63  -5.476  -3.562  -2.450
  540    H    GLY  64           H        GLY  64  -6.796  -5.072  -7.563
  541   1HA   GLY  64          2HA       GLY  64  -8.913  -3.747  -8.913
  542   2HA   GLY  64          1HA       GLY  64  -8.677  -5.495  -8.903
   
  No H/Q in entry =         542
  Start of MODEL          17
 Raw file had  552 H/Q atoms
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1 -12.896   6.219  -4.355
    2   2H    MET   1          3H        MET   1 -13.864   6.176  -5.747
    3   3H    MET   1          2H        MET   1 -14.415   5.458  -4.309
    4    HA   MET   1           HA       MET   1 -13.272   3.579  -4.628
    5   1HB   MET   1          2HB       MET   1 -14.425   3.819  -6.754
    6   2HB   MET   1          1HB       MET   1 -13.135   4.848  -7.378
    7   1HG   MET   1          2HG       MET   1 -11.757   3.084  -7.801
    8   2HG   MET   1          1HG       MET   1 -12.244   2.227  -6.339
    9   1HE   MET   1          1HE       MET   1 -13.660   3.900  -9.191
   10   2HE   MET   1          3HE       MET   1 -13.972   2.632 -10.384
   11   3HE   MET   1          2HE       MET   1 -15.256   3.162  -9.301
   12    H    LYS   2           H        LYS   2 -11.409   4.140  -3.268
   13    HA   LYS   2           HA       LYS   2  -9.007   5.146  -4.660
   14   1HB   LYS   2          2HB       LYS   2  -9.813   4.701  -1.829
   15   2HB   LYS   2          1HB       LYS   2  -8.095   4.548  -2.198
   16   1HG   LYS   2          2HG       LYS   2  -9.256   6.867  -3.518
   17   2HG   LYS   2          1HG       LYS   2  -9.499   6.937  -1.772
   18   1HD   LYS   2          2HD       LYS   2  -6.799   6.139  -2.783
   19   2HD   LYS   2          1HD       LYS   2  -7.253   7.839  -2.886
   20   1HE   LYS   2          2HE       LYS   2  -8.009   6.795  -0.307
   21   2HE   LYS   2          1HE       LYS   2  -6.305   6.457  -0.607
   22   1HZ   LYS   2          3HZ       LYS   2  -7.341   9.121  -1.256
   23   2HZ   LYS   2          2HZ       LYS   2  -7.064   8.738   0.377
   24   3HZ   LYS   2          1HZ       LYS   2  -5.790   8.659  -0.746
   25    H    THR   3           H        THR   3  -9.771   2.752  -5.783
   26    HA   THR   3           HA       THR   3  -8.197   0.580  -4.512
   27    HB   THR   3           HB       THR   3  -9.317   0.268  -7.258
   28    HG1  THR   3           HG1      THR   3 -10.789   0.997  -5.019
   29   1HG2  THR   3          2HG2      THR   3  -8.263  -1.425  -5.432
   30   2HG2  THR   3          1HG2      THR   3  -9.969  -1.546  -5.002
   31   3HG2  THR   3          3HG2      THR   3  -9.443  -1.930  -6.642
   32    H    GLU   4           H        GLU   4  -7.142   3.182  -5.819
   33    HA   GLU   4           HA       GLU   4  -5.062   1.818  -7.461
   34   1HB   GLU   4          2HB       GLU   4  -6.630   4.325  -8.114
   35   2HB   GLU   4          1HB       GLU   4  -5.062   3.995  -8.848
   36   1HG   GLU   4          2HG       GLU   4  -6.036   1.704  -9.510
   37   2HG   GLU   4          1HG       GLU   4  -7.610   2.386  -9.095
   38    H    TRP   5           H        TRP   5  -6.011   4.675  -5.599
   39    HA   TRP   5           HA       TRP   5  -4.726   6.080  -4.230
   40   1HB   TRP   5          2HB       TRP   5  -2.645   3.891  -4.515
   41   2HB   TRP   5          1HB       TRP   5  -2.650   5.171  -3.300
   42    HD1  TRP   5           HD1      TRP   5  -4.960   5.178  -1.685
   43    HE1  TRP   5           HE1      TRP   5  -6.153   3.144  -0.655
   44    HE3  TRP   5           HE3      TRP   5  -3.187   1.470  -4.734
   45    HZ2  TRP   5           HZ2      TRP   5  -6.336   0.332  -1.058
   46    HZ3  TRP   5           HZ3      TRP   5  -3.888  -0.878  -4.372
   47    HH2  TRP   5           HH2      TRP   5  -5.453  -1.447  -2.540
   48    HA   PRO   6           HA       PRO   6  -2.023   6.913  -8.041
   49   1HB   PRO   6          2HB       PRO   6  -3.709   8.504  -9.527
   50   2HB   PRO   6          1HB       PRO   6  -3.558   6.755  -9.777
   51   1HG   PRO   6          2HG       PRO   6  -5.747   8.277  -8.422
   52   2HG   PRO   6          1HG       PRO   6  -5.826   6.742  -9.304
   53   1HD   PRO   6          2HD       PRO   6  -5.811   6.991  -6.508
   54   2HD   PRO   6          1HD       PRO   6  -5.426   5.519  -7.413
   55    H    GLU   7           H        GLU   7  -4.437   8.713  -6.358
   56    HA   GLU   7           HA       GLU   7  -3.084  11.292  -6.475
   57   1HB   GLU   7          2HB       GLU   7  -4.820  10.552  -4.152
   58   2HB   GLU   7          1HB       GLU   7  -4.761  12.061  -5.063
   59   1HG   GLU   7          2HG       GLU   7  -5.600  10.415  -7.024
   60   2HG   GLU   7          1HG       GLU   7  -6.278   9.568  -5.635
   61    H    LEU   8           H        LEU   8  -2.457   8.346  -4.921
   62    HA   LEU   8           HA       LEU   8  -1.225   9.473  -2.535
   63   1HB   LEU   8          2HB       LEU   8  -2.296   7.125  -2.826
   64   2HB   LEU   8          1HB       LEU   8  -0.774   6.686  -3.601
   65    HG   LEU   8           HG       LEU   8   0.477   7.183  -1.613
   66   1HD1  LEU   8          3HD1      LEU   8  -2.047   8.589  -0.845
   67   2HD1  LEU   8          2HD1      LEU   8  -1.062   7.899   0.445
   68   3HD1  LEU   8          1HD1      LEU   8  -0.375   9.104  -0.642
   69   1HD2  LEU   8          1HD2      LEU   8  -1.844   5.407  -1.523
   70   2HD2  LEU   8          3HD2      LEU   8  -0.193   5.118  -0.972
   71   3HD2  LEU   8          2HD2      LEU   8  -1.346   5.936   0.083
   72    H    VAL   9           H        VAL   9  -0.338   9.449  -5.726
   73    HA   VAL   9           HA       VAL   9   2.352   8.606  -5.743
   74    HB   VAL   9           HB       VAL   9   0.936  10.833  -7.232
   75   1HG1  VAL   9          1HG1      VAL   9   3.429  11.326  -6.882
   76   2HG1  VAL   9          3HG1      VAL   9   3.746   9.862  -7.820
   77   3HG1  VAL   9          2HG1      VAL   9   2.896  11.215  -8.563
   78   1HG2  VAL   9          2HG2      VAL   9   1.846   8.025  -7.841
   79   2HG2  VAL   9          1HG2      VAL   9   0.253   8.746  -8.067
   80   3HG2  VAL   9          3HG2      VAL   9   1.578   9.184  -9.144
   81    H    GLY  10           H        GLY  10   4.310   9.744  -5.404
   82   1HA   GLY  10          2HA       GLY  10   5.730  11.238  -4.312
   83   2HA   GLY  10          1HA       GLY  10   4.451  12.434  -4.503
   84    H    LYS  11           H        LYS  11   3.198   9.759  -2.863
   85    HA   LYS  11           HA       LYS  11   3.376  11.266  -0.319
   86   1HB   LYS  11          2HB       LYS  11   1.265  10.009  -1.469
   87   2HB   LYS  11          1HB       LYS  11   1.864   8.717  -0.426
   88   1HG   LYS  11          2HG       LYS  11   0.532   9.789   1.110
   89   2HG   LYS  11          1HG       LYS  11   1.993  10.754   1.322
   90   1HD   LYS  11          2HD       LYS  11  -0.303  11.442  -0.538
   91   2HD   LYS  11          1HD       LYS  11   0.002  12.194   1.028
   92   1HE   LYS  11          2HE       LYS  11   2.247  12.912   0.198
   93   2HE   LYS  11          1HE       LYS  11   1.831  12.260  -1.387
   94   1HZ   LYS  11          2HZ       LYS  11  -0.073  13.753  -1.455
   95   2HZ   LYS  11          1HZ       LYS  11   0.359  14.395   0.057
   96   3HZ   LYS  11          3HZ       LYS  11   1.378  14.621  -1.279
   97    H    SER  12           H        SER  12   2.900   8.645   1.153
   98    HA   SER  12           HA       SER  12   5.520   7.315   0.825
   99   1HB   SER  12          2HB       SER  12   4.765   9.096   3.091
  100   2HB   SER  12          1HB       SER  12   5.682   7.635   3.467
  101    HG   SER  12           HG       SER  12   6.752   9.790   2.758
  102    H    VAL  13           H        VAL  13   5.682   5.626   2.762
  103    HA   VAL  13           HA       VAL  13   3.560   3.764   2.417
  104    HB   VAL  13           HB       VAL  13   5.709   3.970   4.539
  105   1HG1  VAL  13          3HG1      VAL  13   3.705   2.683   5.313
  106   2HG1  VAL  13          2HG1      VAL  13   3.889   1.625   3.915
  107   3HG1  VAL  13          1HG1      VAL  13   5.147   1.681   5.150
  108   1HG2  VAL  13          1HG2      VAL  13   5.822   3.324   1.830
  109   2HG2  VAL  13          3HG2      VAL  13   7.034   2.908   3.042
  110   3HG2  VAL  13          2HG2      VAL  13   5.766   1.753   2.631
  111    H    GLU  14           H        GLU  14   4.133   6.213   4.906
  112    HA   GLU  14           HA       GLU  14   2.314   5.438   6.865
  113   1HB   GLU  14          2HB       GLU  14   1.790   8.044   6.922
  114   2HB   GLU  14          1HB       GLU  14   3.369   7.430   7.415
  115   1HG   GLU  14          2HG       GLU  14   3.208   7.865   4.529
  116   2HG   GLU  14          1HG       GLU  14   2.907   9.343   5.445
  117    H    GLU  15           H        GLU  15   1.333   7.871   4.443
  118    HA   GLU  15           HA       GLU  15  -1.448   7.414   4.735
  119   1HB   GLU  15          2HB       GLU  15  -0.282   9.366   3.570
  120   2HB   GLU  15          1HB       GLU  15  -0.120   8.308   2.169
  121   1HG   GLU  15          2HG       GLU  15  -2.465   8.131   1.885
  122   2HG   GLU  15          1HG       GLU  15  -2.790   8.736   3.510
  123    H    ALA  16           H        ALA  16   0.947   5.743   2.724
  124    HA   ALA  16           HA       ALA  16  -0.980   4.408   1.061
  125   1HB   ALA  16          1HB       ALA  16   1.822   4.482   1.256
  126   2HB   ALA  16          3HB       ALA  16   1.383   2.796   1.536
  127   3HB   ALA  16          2HB       ALA  16   0.868   3.606   0.058
  128    H    LYS  17           H        LYS  17   1.064   2.570   3.338
  129    HA   LYS  17           HA       LYS  17  -0.671   0.426   3.685
  130   1HB   LYS  17          2HB       LYS  17   1.693   1.231   4.873
  131   2HB   LYS  17          1HB       LYS  17   0.556   1.266   6.222
  132   1HG   LYS  17          2HG       LYS  17   0.801  -1.088   4.334
  133   2HG   LYS  17          1HG       LYS  17   1.703  -0.967   5.845
  134   1HD   LYS  17          2HD       LYS  17  -1.317  -0.919   5.565
  135   2HD   LYS  17          1HD       LYS  17  -0.353  -2.251   6.207
  136   1HE   LYS  17          2HE       LYS  17   0.567  -0.373   7.835
  137   2HE   LYS  17          1HE       LYS  17  -0.960   0.413   7.438
  138   1HZ   LYS  17          2HZ       LYS  17  -0.885  -2.422   8.255
  139   2HZ   LYS  17          1HZ       LYS  17  -0.893  -1.183   9.420
  140   3HZ   LYS  17          3HZ       LYS  17  -2.180  -1.325   8.326
  141    H    LYS  18           H        LYS  18  -0.860   3.619   5.080
  142    HA   LYS  18           HA       LYS  18  -2.780   3.118   7.128
  143   1HB   LYS  18          2HB       LYS  18  -1.494   5.204   6.977
  144   2HB   LYS  18          1HB       LYS  18  -2.323   5.620   5.474
  145   1HG   LYS  18          2HG       LYS  18  -4.296   4.969   7.451
  146   2HG   LYS  18          1HG       LYS  18  -3.169   6.127   8.156
  147   1HD   LYS  18          2HD       LYS  18  -3.553   7.159   5.631
  148   2HD   LYS  18          1HD       LYS  18  -5.146   6.508   6.020
  149   1HE   LYS  18          2HE       LYS  18  -4.846   7.683   8.308
  150   2HE   LYS  18          1HE       LYS  18  -3.561   8.593   7.512
  151   1HZ   LYS  18          3HZ       LYS  18  -6.103   8.384   6.102
  152   2HZ   LYS  18          2HZ       LYS  18  -6.079   9.368   7.485
  153   3HZ   LYS  18          1HZ       LYS  18  -5.019   9.682   6.195
  154    H    VAL  19           H        VAL  19  -3.649   5.098   4.315
  155    HA   VAL  19           HA       VAL  19  -6.401   4.472   4.428
  156    HB   VAL  19           HB       VAL  19  -4.970   5.105   1.842
  157   1HG1  VAL  19          1HG1      VAL  19  -7.697   5.059   2.808
  158   2HG1  VAL  19          3HG1      VAL  19  -7.269   6.684   2.273
  159   3HG1  VAL  19          2HG1      VAL  19  -7.109   5.319   1.167
  160   1HG2  VAL  19          1HG2      VAL  19  -5.467   6.878   4.242
  161   2HG2  VAL  19          3HG2      VAL  19  -3.962   6.656   3.351
  162   3HG2  VAL  19          2HG2      VAL  19  -5.299   7.544   2.619
  163    H    ILE  20           H        ILE  20  -3.893   3.072   2.307
  164    HA   ILE  20           HA       ILE  20  -5.417   1.262   0.861
  165    HB   ILE  20           HB       ILE  20  -2.704   0.725   2.103
  166   1HG1  ILE  20          2HG1      ILE  20  -3.284   1.697  -0.697
  167   2HG1  ILE  20          1HG1      ILE  20  -3.065   2.829   0.638
  168   1HG2  ILE  20          1HG2      ILE  20  -4.432  -0.726   0.173
  169   2HG2  ILE  20          3HG2      ILE  20  -2.731  -0.587  -0.268
  170   3HG2  ILE  20          2HG2      ILE  20  -3.187  -1.346   1.257
  171   1HD1  ILE  20          1HD1      ILE  20  -0.926   1.190   1.023
  172   2HD1  ILE  20          3HD1      ILE  20  -1.073   1.122  -0.734
  173   3HD1  ILE  20          2HD1      ILE  20  -0.861   2.675   0.074
  174    H    LEU  21           H        LEU  21  -3.804   0.457   3.968
  175    HA   LEU  21           HA       LEU  21  -4.608  -2.037   4.577
  176   1HB   LEU  21          2HB       LEU  21  -3.550  -0.764   6.297
  177   2HB   LEU  21          1HB       LEU  21  -4.872   0.406   6.340
  178    HG   LEU  21           HG       LEU  21  -6.389  -1.275   7.236
  179   1HD1  LEU  21          2HD1      LEU  21  -5.335  -3.188   5.970
  180   2HD1  LEU  21          1HD1      LEU  21  -4.042  -3.193   7.168
  181   3HD1  LEU  21          3HD1      LEU  21  -5.697  -3.556   7.656
  182   1HD2  LEU  21          1HD2      LEU  21  -4.196  -0.204   8.578
  183   2HD2  LEU  21          3HD2      LEU  21  -5.596  -0.962   9.337
  184   3HD2  LEU  21          2HD2      LEU  21  -4.148  -1.914   9.008
  185    H    GLN  22           H        GLN  22  -6.880   0.688   4.474
  186    HA   GLN  22           HA       GLN  22  -9.034  -1.359   4.417
  187   1HB   GLN  22          2HB       GLN  22  -8.613   0.567   6.484
  188   2HB   GLN  22          1HB       GLN  22 -10.073   1.019   5.603
  189   1HG   GLN  22          2HG       GLN  22 -11.229  -0.772   6.378
  190   2HG   GLN  22          1HG       GLN  22  -9.877  -1.874   6.098
  191   1HE2  GLN  22          2HE2      GLN  22  -8.652  -1.646   9.423
  192   2HE2  GLN  22          1HE2      GLN  22  -8.347  -2.202   7.848
  193    H    ASP  23           H        ASP  23  -8.970   2.215   4.225
  194    HA   ASP  23           HA       ASP  23 -10.048   3.584   2.622
  195   1HB   ASP  23          2HB       ASP  23  -7.984   3.296   1.441
  196   2HB   ASP  23          1HB       ASP  23  -8.394   1.641   0.989
  197    H    LYS  24           H        LYS  24 -10.137   0.924   0.358
  198    HA   LYS  24           HA       LYS  24 -12.991   1.154   0.056
  199   1HB   LYS  24          2HB       LYS  24 -11.118  -1.019  -0.919
  200   2HB   LYS  24          1HB       LYS  24 -12.712  -0.645  -1.574
  201   1HG   LYS  24          2HG       LYS  24 -11.978   1.274  -2.610
  202   2HG   LYS  24          1HG       LYS  24 -10.735   1.576  -1.396
  203   1HD   LYS  24          2HD       LYS  24 -10.643  -0.408  -3.679
  204   2HD   LYS  24          1HD       LYS  24  -9.575   0.961  -3.389
  205   1HE   LYS  24          2HE       LYS  24  -8.196  -0.539  -2.410
  206   2HE   LYS  24          1HE       LYS  24  -9.323  -0.486  -1.056
  207   1HZ   LYS  24          1HZ       LYS  24 -10.602  -2.251  -2.346
  208   2HZ   LYS  24          3HZ       LYS  24  -9.188  -2.447  -3.261
  209   3HZ   LYS  24          2HZ       LYS  24  -9.160  -2.729  -1.586
  210    HA   PRO  25           HA       PRO  25 -14.051  -2.340   2.774
  211   1HB   PRO  25          2HB       PRO  25 -13.270  -4.910   2.197
  212   2HB   PRO  25          1HB       PRO  25 -14.631  -4.109   1.393
  213   1HG   PRO  25          2HG       PRO  25 -11.918  -4.708   0.334
  214   2HG   PRO  25          1HG       PRO  25 -13.439  -4.476  -0.543
  215   1HD   PRO  25          2HD       PRO  25 -11.351  -2.583  -0.268
  216   2HD   PRO  25          1HD       PRO  25 -12.979  -2.270  -0.907
  217    H    GLU  26           H        GLU  26 -11.139  -4.215   1.992
  218    HA   GLU  26           HA       GLU  26  -9.612  -3.087   4.227
  219   1HB   GLU  26          2HB       GLU  26  -9.972  -6.050   4.382
  220   2HB   GLU  26          1HB       GLU  26  -9.619  -4.891   5.664
  221   1HG   GLU  26          2HG       GLU  26 -11.945  -4.047   5.523
  222   2HG   GLU  26          1HG       GLU  26 -12.292  -5.242   4.273
  223    H    ALA  27           H        ALA  27  -8.749  -2.829   1.772
  224    HA   ALA  27           HA       ALA  27  -7.226  -5.204   0.985
  225   1HB   ALA  27          3HB       ALA  27  -7.827  -2.555  -0.257
  226   2HB   ALA  27          2HB       ALA  27  -6.378  -3.408  -0.786
  227   3HB   ALA  27          1HB       ALA  27  -7.958  -4.173  -0.954
  228    H    GLN  28           H        GLN  28  -5.335  -5.582   2.039
  229    HA   GLN  28           HA       GLN  28  -3.874  -3.328   3.264
  230   1HB   GLN  28          2HB       GLN  28  -3.432  -6.323   3.256
  231   2HB   GLN  28          1HB       GLN  28  -2.337  -5.189   4.042
  232   1HG   GLN  28          2HG       GLN  28  -3.717  -4.943   5.813
  233   2HG   GLN  28          1HG       GLN  28  -5.103  -4.642   4.764
  234   1HE2  GLN  28          2HE2      GLN  28  -4.397  -8.447   6.121
  235   2HE2  GLN  28          1HE2      GLN  28  -3.171  -7.277   6.225
  236    H    ILE  29           H        ILE  29  -1.368  -3.427   2.932
  237    HA   ILE  29           HA       ILE  29  -0.774  -4.154   0.116
  238    HB   ILE  29           HB       ILE  29  -1.338  -1.747   0.190
  239   1HG1  ILE  29          2HG1      ILE  29   1.631  -1.941  -0.194
  240   2HG1  ILE  29          1HG1      ILE  29   0.563  -2.916  -1.205
  241   1HG2  ILE  29          1HG2      ILE  29   0.451  -1.879   2.503
  242   2HG2  ILE  29          3HG2      ILE  29   0.893  -0.592   1.382
  243   3HG2  ILE  29          2HG2      ILE  29  -0.729  -0.641   2.073
  244   1HD1  ILE  29          1HD1      ILE  29  -0.689  -0.833  -1.804
  245   2HD1  ILE  29          3HD1      ILE  29   0.496   0.102  -0.892
  246   3HD1  ILE  29          2HD1      ILE  29   0.995  -0.794  -2.327
  247    H    ILE  30           H        ILE  30   1.281  -4.812  -0.276
  248    HA   ILE  30           HA       ILE  30   2.955  -5.423   2.080
  249    HB   ILE  30           HB       ILE  30   3.103  -6.196  -0.851
  250   1HG1  ILE  30          2HG1      ILE  30   1.303  -7.224   0.563
  251   2HG1  ILE  30          1HG1      ILE  30   2.465  -8.399  -0.054
  252   1HG2  ILE  30          3HG2      ILE  30   5.154  -6.234   1.182
  253   2HG2  ILE  30          2HG2      ILE  30   4.741  -7.881   0.704
  254   3HG2  ILE  30          1HG2      ILE  30   5.260  -6.714  -0.514
  255   1HD1  ILE  30          2HD1      ILE  30   3.500  -7.424   2.406
  256   2HD1  ILE  30          1HD1      ILE  30   1.801  -7.811   2.678
  257   3HD1  ILE  30          3HD1      ILE  30   2.897  -9.043   2.056
  258    H    VAL  31           H        VAL  31   4.604  -4.016   2.622
  259    HA   VAL  31           HA       VAL  31   5.424  -2.031   0.574
  260    HB   VAL  31           HB       VAL  31   6.128  -2.101   3.516
  261   1HG1  VAL  31          3HG1      VAL  31   7.657  -0.795   2.046
  262   2HG1  VAL  31          2HG1      VAL  31   6.267   0.124   1.469
  263   3HG1  VAL  31          1HG1      VAL  31   6.754   0.231   3.160
  264   1HG2  VAL  31          3HG2      VAL  31   3.854  -0.867   1.978
  265   2HG2  VAL  31          2HG2      VAL  31   3.787  -1.817   3.461
  266   3HG2  VAL  31          1HG2      VAL  31   4.409  -0.167   3.499
  267    H    LEU  32           H        LEU  32   7.380  -2.036  -0.335
  268    HA   LEU  32           HA       LEU  32   9.617  -3.640   0.737
  269   1HB   LEU  32          2HB       LEU  32   9.829  -4.422  -1.813
  270   2HB   LEU  32          1HB       LEU  32   8.875  -5.346  -0.674
  271    HG   LEU  32           HG       LEU  32   7.769  -3.198  -2.488
  272   1HD1  LEU  32          1HD1      LEU  32   8.705  -5.319  -3.594
  273   2HD1  LEU  32          3HD1      LEU  32   7.442  -6.200  -2.740
  274   3HD1  LEU  32          2HD1      LEU  32   7.006  -4.966  -3.918
  275   1HD2  LEU  32          2HD2      LEU  32   6.663  -4.897  -0.326
  276   2HD2  LEU  32          1HD2      LEU  32   6.052  -3.378  -0.986
  277   3HD2  LEU  32          3HD2      LEU  32   5.713  -4.899  -1.812
  278    HA   PRO  33           HA       PRO  33  11.879  -0.391  -1.022
  279   1HB   PRO  33          2HB       PRO  33  14.115  -1.612  -2.048
  280   2HB   PRO  33          1HB       PRO  33  13.813  -1.435  -0.312
  281   1HG   PRO  33          2HG       PRO  33  13.516  -3.876  -2.033
  282   2HG   PRO  33          1HG       PRO  33  13.980  -3.749  -0.320
  283   1HD   PRO  33          2HD       PRO  33  11.436  -4.448  -1.242
  284   2HD   PRO  33          1HD       PRO  33  11.792  -3.861   0.393
  285    H    VAL  34           H        VAL  34  13.265  -2.427  -3.447
  286    HA   VAL  34           HA       VAL  34  11.322  -1.927  -5.533
  287    HB   VAL  34           HB       VAL  34  13.904  -0.332  -5.498
  288   1HG1  VAL  34          3HG1      VAL  34  12.552  -1.599  -7.672
  289   2HG1  VAL  34          2HG1      VAL  34  12.282   0.141  -7.809
  290   3HG1  VAL  34          1HG1      VAL  34  13.927  -0.491  -7.746
  291   1HG2  VAL  34          1HG2      VAL  34  10.963   0.290  -5.395
  292   2HG2  VAL  34          3HG2      VAL  34  12.283   1.008  -4.470
  293   3HG2  VAL  34          2HG2      VAL  34  12.055   1.443  -6.163
  294    H    GLY  35           H        GLY  35  11.527  -4.042  -6.185
  295   1HA   GLY  35          2HA       GLY  35  14.135  -4.854  -7.294
  296   2HA   GLY  35          1HA       GLY  35  13.511  -5.840  -5.970
  297    H    THR  36           H        THR  36  12.339  -7.572  -6.610
  298    HA   THR  36           HA       THR  36  11.590  -7.940  -9.379
  299    HB   THR  36           HB       THR  36  10.732  -9.533  -6.944
  300    HG1  THR  36           HG1      THR  36  12.511 -10.889  -7.848
  301   1HG2  THR  36          3HG2      THR  36   9.399  -9.930  -8.999
  302   2HG2  THR  36          2HG2      THR  36  10.886 -10.280  -9.878
  303   3HG2  THR  36          1HG2      THR  36  10.370 -11.335  -8.563
  304    H    ILE  37           H        ILE  37  10.075  -6.374  -9.999
  305    HA   ILE  37           HA       ILE  37   7.592  -6.107  -8.393
  306    HB   ILE  37           HB       ILE  37   7.064  -4.337 -10.151
  307   1HG1  ILE  37          2HG1      ILE  37   9.985  -4.586 -10.875
  308   2HG1  ILE  37          1HG1      ILE  37   8.749  -5.461 -11.779
  309   1HG2  ILE  37          2HG2      ILE  37   9.038  -4.332  -8.021
  310   2HG2  ILE  37          1HG2      ILE  37   9.445  -3.144  -9.260
  311   3HG2  ILE  37          3HG2      ILE  37   7.874  -3.082  -8.461
  312   1HD1  ILE  37          3HD1      ILE  37   8.242  -2.570 -11.285
  313   2HD1  ILE  37          2HD1      ILE  37   9.515  -2.967 -12.438
  314   3HD1  ILE  37          1HD1      ILE  37   7.873  -3.551 -12.704
  315    H    VAL  38           H        VAL  38   5.504  -6.491  -9.397
  316    HA   VAL  38           HA       VAL  38   4.006  -7.652 -10.788
  317    HB   VAL  38           HB       VAL  38   6.262  -7.854 -12.791
  318   1HG1  VAL  38          2HG1      VAL  38   4.059  -9.074 -13.129
  319   2HG1  VAL  38          1HG1      VAL  38   3.282  -7.492 -13.190
  320   3HG1  VAL  38          3HG1      VAL  38   4.483  -7.933 -14.404
  321   1HG2  VAL  38          3HG2      VAL  38   5.572  -5.480 -11.670
  322   2HG2  VAL  38          2HG2      VAL  38   6.066  -5.643 -13.354
  323   3HG2  VAL  38          1HG2      VAL  38   4.353  -5.584 -12.940
  324    H    THR  39           H        THR  39   6.490  -8.922  -9.227
  325    HA   THR  39           HA       THR  39   5.594 -11.637  -9.478
  326    HB   THR  39           HB       THR  39   8.285 -11.952 -10.336
  327    HG1  THR  39           HG1      THR  39   8.070  -9.838 -11.186
  328   1HG2  THR  39          3HG2      THR  39   5.989 -13.246 -10.704
  329   2HG2  THR  39          2HG2      THR  39   5.979 -12.316 -12.203
  330   3HG2  THR  39          1HG2      THR  39   7.321 -13.406 -11.851
  331   1H    GLU  41          2H        GLU  41 -10.335  -7.981  -9.475
  332   2H    GLU  41          1H        GLU  41  -9.034  -9.049  -9.248
  333   3H    GLU  41          3H        GLU  41  -9.849  -9.012 -10.735
  334    HA   GLU  41           HA       GLU  41 -11.826  -9.906  -9.768
  335   1HB   GLU  41          2HB       GLU  41  -9.298 -11.374  -8.963
  336   2HB   GLU  41          1HB       GLU  41 -10.907 -12.099  -8.959
  337   1HG   GLU  41          2HG       GLU  41 -11.138 -11.581 -11.369
  338   2HG   GLU  41          1HG       GLU  41  -9.513 -10.893 -11.367
  339    H    TYR  42           H        TYR  42 -13.137 -10.001  -7.996
  340    HA   TYR  42           HA       TYR  42 -13.839  -9.349  -5.838
  341   1HB   TYR  42          2HB       TYR  42 -12.729 -10.732  -4.078
  342   2HB   TYR  42          1HB       TYR  42 -13.179 -11.671  -5.497
  343    HD1  TYR  42           HD2      TYR  42 -10.373 -10.204  -3.611
  344    HD2  TYR  42           HD1      TYR  42 -11.508 -12.514  -7.049
  345    HE1  TYR  42           HE2      TYR  42  -8.021 -10.900  -3.921
  346    HE2  TYR  42           HE1      TYR  42  -9.156 -13.212  -7.358
  347    HH   TYR  42           HH       TYR  42  -7.087 -13.447  -5.805
  348    H    ARG  43           H        ARG  43 -12.014  -9.182  -3.491
  349    HA   ARG  43           HA       ARG  43 -10.564  -6.673  -4.244
  350   1HB   ARG  43          2HB       ARG  43 -11.204  -5.717  -2.108
  351   2HB   ARG  43          1HB       ARG  43 -12.661  -6.264  -2.934
  352   1HG   ARG  43          2HG       ARG  43 -11.752  -8.496  -1.483
  353   2HG   ARG  43          1HG       ARG  43 -11.580  -7.125  -0.384
  354   1HD   ARG  43          2HD       ARG  43 -13.887  -6.552  -0.580
  355   2HD   ARG  43          1HD       ARG  43 -14.107  -7.607  -1.977
  356    HE   ARG  43           HE       ARG  43 -13.272  -9.264   0.137
  357   1HH1  ARG  43          1HH2      ARG  43 -14.943  -7.366   1.759
  358   2HH1  ARG  43          2HH2      ARG  43 -16.511  -8.096   1.663
  359   1HH2  ARG  43          2HH1      ARG  43 -15.695 -10.119  -1.032
  360   2HH2  ARG  43          1HH1      ARG  43 -16.937  -9.658   0.083
  361    H    ILE  44           H        ILE  44  -8.725  -8.351  -4.458
  362    HA   ILE  44           HA       ILE  44  -7.691  -9.851  -2.336
  363    HB   ILE  44           HB       ILE  44  -6.546  -9.852  -4.489
  364   1HG1  ILE  44          2HG1      ILE  44  -4.298  -8.678  -3.132
  365   2HG1  ILE  44          1HG1      ILE  44  -5.289  -9.535  -1.947
  366   1HG2  ILE  44          3HG2      ILE  44  -6.826  -7.034  -4.239
  367   2HG2  ILE  44          2HG2      ILE  44  -5.095  -7.371  -4.287
  368   3HG2  ILE  44          1HG2      ILE  44  -6.139  -7.928  -5.595
  369   1HD1  ILE  44          3HD1      ILE  44  -4.792 -10.913  -4.545
  370   2HD1  ILE  44          2HD1      ILE  44  -3.429 -10.789  -3.432
  371   3HD1  ILE  44          1HD1      ILE  44  -4.917 -11.588  -2.920
  372    H    ASP  45           H        ASP  45  -6.446  -9.320  -0.489
  373    HA   ASP  45           HA       ASP  45  -6.573  -6.440   0.182
  374   1HB   ASP  45          2HB       ASP  45  -6.816  -7.030   2.441
  375   2HB   ASP  45          1HB       ASP  45  -7.739  -8.265   1.584
  376    H    ARG  46           H        ARG  46  -4.509  -7.133  -1.466
  377    HA   ARG  46           HA       ARG  46  -2.207  -6.480   0.254
  378   1HB   ARG  46          2HB       ARG  46  -1.794  -8.776   0.347
  379   2HB   ARG  46          1HB       ARG  46  -2.547  -9.083  -1.215
  380   1HG   ARG  46          2HG       ARG  46  -0.630  -8.049  -2.359
  381   2HG   ARG  46          1HG       ARG  46   0.122  -7.699  -0.802
  382   1HD   ARG  46          2HD       ARG  46   0.837  -9.836  -0.537
  383   2HD   ARG  46          1HD       ARG  46  -0.693 -10.507  -1.110
  384    HE   ARG  46           HE       ARG  46   1.686 -10.094  -2.716
  385   1HH1  ARG  46          1HH2      ARG  46  -0.170  -8.403  -4.209
  386   2HH1  ARG  46          2HH2      ARG  46  -1.012  -9.527  -5.223
  387   1HH2  ARG  46          2HH1      ARG  46  -0.089 -12.302  -3.365
  388   2HH2  ARG  46          1HH1      ARG  46  -0.967 -11.733  -4.746
  389    H    VAL  47           H        VAL  47  -0.473  -5.543  -1.027
  390    HA   VAL  47           HA       VAL  47  -0.905  -5.254  -3.925
  391    HB   VAL  47           HB       VAL  47  -0.444  -2.617  -2.694
  392   1HG1  VAL  47          3HG1      VAL  47  -0.968  -3.264  -5.124
  393   2HG1  VAL  47          2HG1      VAL  47  -2.627  -3.489  -4.569
  394   3HG1  VAL  47          1HG1      VAL  47  -1.864  -1.906  -4.444
  395   1HG2  VAL  47          1HG2      VAL  47  -3.031  -4.108  -2.209
  396   2HG2  VAL  47          3HG2      VAL  47  -1.994  -3.363  -1.000
  397   3HG2  VAL  47          2HG2      VAL  47  -2.896  -2.354  -2.126
  398    H    ARG  48           H        ARG  48   1.015  -3.396  -4.547
  399    HA   ARG  48           HA       ARG  48   3.435  -4.484  -3.159
  400   1HB   ARG  48          2HB       ARG  48   2.920  -3.914  -6.066
  401   2HB   ARG  48          1HB       ARG  48   4.565  -3.941  -5.428
  402   1HG   ARG  48          2HG       ARG  48   2.555  -6.199  -5.136
  403   2HG   ARG  48          1HG       ARG  48   3.861  -6.164  -6.320
  404   1HD   ARG  48          2HD       ARG  48   5.492  -5.948  -4.417
  405   2HD   ARG  48          1HD       ARG  48   4.150  -6.182  -3.297
  406    HE   ARG  48           HE       ARG  48   3.870  -8.454  -4.250
  407   1HH1  ARG  48          2HH1      ARG  48   6.151  -6.898  -6.146
  408   2HH1  ARG  48          1HH1      ARG  48   7.318  -8.178  -6.114
  409   1HH2  ARG  48          1HH2      ARG  48   5.602 -10.030  -3.732
  410   2HH2  ARG  48          2HH2      ARG  48   7.003  -9.958  -4.749
  411    H    LEU  49           H        LEU  49   2.995  -2.511  -1.743
  412    HA   LEU  49           HA       LEU  49   3.434   0.107  -2.891
  413   1HB   LEU  49          2HB       LEU  49   2.389   0.206  -0.784
  414   2HB   LEU  49          1HB       LEU  49   3.486  -0.985  -0.080
  415    HG   LEU  49           HG       LEU  49   5.316   0.588  -0.086
  416   1HD1  LEU  49          2HD1      LEU  49   3.428   2.326  -1.692
  417   2HD1  LEU  49          1HD1      LEU  49   4.878   2.965  -0.921
  418   3HD1  LEU  49          3HD1      LEU  49   5.020   1.727  -2.175
  419   1HD2  LEU  49          1HD2      LEU  49   2.697   1.515   1.027
  420   2HD2  LEU  49          3HD2      LEU  49   4.162   1.001   1.873
  421   3HD2  LEU  49          2HD2      LEU  49   4.085   2.598   1.122
  422    H    PHE  50           H        PHE  50   5.323   0.141  -4.088
  423    HA   PHE  50           HA       PHE  50   7.826  -0.874  -2.882
  424   1HB   PHE  50          2HB       PHE  50   6.940   0.155  -5.553
  425   2HB   PHE  50          1HB       PHE  50   8.666   0.198  -5.164
  426    HD1  PHE  50           HD2      PHE  50   9.830  -1.929  -4.504
  427    HD2  PHE  50           HD1      PHE  50   5.842  -1.903  -6.095
  428    HE1  PHE  50           HE2      PHE  50  10.032  -4.340  -5.041
  429    HE2  PHE  50           HE1      PHE  50   6.049  -4.310  -6.649
  430    HZ   PHE  50           HZ       PHE  50   8.144  -5.529  -6.126
  431    H    VAL  51           H        VAL  51   9.612   1.126  -3.873
  432    HA   VAL  51           HA       VAL  51   8.643   3.662  -2.678
  433    HB   VAL  51           HB       VAL  51  10.719   3.894  -1.337
  434   1HG1  VAL  51          3HG1      VAL  51   8.480   2.647  -0.603
  435   2HG1  VAL  51          2HG1      VAL  51   9.571   1.265  -0.490
  436   3HG1  VAL  51          1HG1      VAL  51   9.882   2.716   0.469
  437   1HG2  VAL  51          2HG2      VAL  51  12.053   2.321  -2.780
  438   2HG2  VAL  51          1HG2      VAL  51  12.210   2.009  -1.052
  439   3HG2  VAL  51          3HG2      VAL  51  11.172   0.986  -2.041
  440    H    ASP  52           H        ASP  52  10.510   5.389  -2.990
  441    HA   ASP  52           HA       ASP  52  11.813   4.847  -5.620
  442   1HB   ASP  52          2HB       ASP  52  10.534   6.432  -6.583
  443   2HB   ASP  52          1HB       ASP  52   9.712   6.725  -5.046
  444    H    LYS  53           H        LYS  53  11.848   7.585  -3.279
  445    HA   LYS  53           HA       LYS  53  14.810   7.510  -3.389
  446   1HB   LYS  53          2HB       LYS  53  12.867   9.489  -2.157
  447   2HB   LYS  53          1HB       LYS  53  14.622   9.652  -2.095
  448   1HG   LYS  53          2HG       LYS  53  13.679   9.118  -4.803
  449   2HG   LYS  53          1HG       LYS  53  12.959  10.582  -4.134
  450   1HD   LYS  53          2HD       LYS  53  15.089  11.561  -3.713
  451   2HD   LYS  53          1HD       LYS  53  15.925  10.029  -3.968
  452   1HE   LYS  53          2HE       LYS  53  15.477  10.068  -6.317
  453   2HE   LYS  53          1HE       LYS  53  14.325  11.392  -6.144
  454   1HZ   LYS  53          2HZ       LYS  53  17.025  11.870  -5.164
  455   2HZ   LYS  53          1HZ       LYS  53  16.841  11.767  -6.850
  456   3HZ   LYS  53          3HZ       LYS  53  15.959  12.917  -5.971
  457    H    LEU  54           H        LEU  54  12.603   8.233  -0.709
  458    HA   LEU  54           HA       LEU  54  13.909   6.081   0.895
  459   1HB   LEU  54          2HB       LEU  54  14.278   8.839   1.288
  460   2HB   LEU  54          1HB       LEU  54  13.100   8.361   2.509
  461    HG   LEU  54           HG       LEU  54  15.316   6.454   2.204
  462   1HD1  LEU  54          3HD1      LEU  54  15.815   9.318   3.050
  463   2HD1  LEU  54          2HD1      LEU  54  16.864   7.985   3.533
  464   3HD1  LEU  54          1HD1      LEU  54  16.679   8.387   1.827
  465   1HD2  LEU  54          1HD2      LEU  54  13.579   6.452   4.012
  466   2HD2  LEU  54          3HD2      LEU  54  15.225   6.527   4.641
  467   3HD2  LEU  54          2HD2      LEU  54  14.234   7.983   4.593
  468    H    ASP  55           H        ASP  55  11.598   5.591  -0.367
  469    HA   ASP  55           HA       ASP  55   9.578   4.538   0.276
  470   1HB   ASP  55          2HB       ASP  55   8.836   4.518   2.434
  471   2HB   ASP  55          1HB       ASP  55  10.469   5.096   2.748
  472    H    ASN  56           H        ASN  56  10.165   7.126  -1.164
  473    HA   ASN  56           HA       ASN  56   7.644   8.620  -0.760
  474   1HB   ASN  56          2HB       ASN  56   9.912   9.723  -1.298
  475   2HB   ASN  56          1HB       ASN  56   9.696   9.093  -2.934
  476   1HD2  ASN  56          2HD2      ASN  56   8.037  12.202  -3.495
  477   2HD2  ASN  56          1HD2      ASN  56   9.481  11.341  -3.738
  478    H    ILE  57           H        ILE  57   6.124   7.116  -1.382
  479    HA   ILE  57           HA       ILE  57   6.026   5.289  -3.388
  480    HB   ILE  57           HB       ILE  57   3.735   7.217  -2.983
  481   1HG1  ILE  57          2HG1      ILE  57   4.677   4.886  -1.285
  482   2HG1  ILE  57          1HG1      ILE  57   4.467   6.560  -0.773
  483   1HG2  ILE  57          1HG2      ILE  57   4.145   4.694  -4.370
  484   2HG2  ILE  57          3HG2      ILE  57   2.862   4.565  -3.168
  485   3HG2  ILE  57          2HG2      ILE  57   2.765   5.791  -4.431
  486   1HD1  ILE  57          2HD1      ILE  57   1.983   5.982  -1.775
  487   2HD1  ILE  57          1HD1      ILE  57   2.457   4.430  -1.088
  488   3HD1  ILE  57          3HD1      ILE  57   2.420   5.869  -0.071
  489    H    ALA  58           H        ALA  58   7.345   5.899  -5.126
  490    HA   ALA  58           HA       ALA  58   6.526   8.182  -6.820
  491   1HB   ALA  58          2HB       ALA  58   8.763   6.150  -6.931
  492   2HB   ALA  58          1HB       ALA  58   8.417   7.207  -8.299
  493   3HB   ALA  58          3HB       ALA  58   8.889   7.900  -6.747
  494    H    GLN  59           H        GLN  59   6.199   4.747  -6.547
  495    HA   GLN  59           HA       GLN  59   4.667   4.686  -9.114
  496   1HB   GLN  59          2HB       GLN  59   6.812   3.019  -8.210
  497   2HB   GLN  59          1HB       GLN  59   5.340   2.045  -8.235
  498   1HG   GLN  59          2HG       GLN  59   4.959   3.171 -10.576
  499   2HG   GLN  59          1HG       GLN  59   6.693   3.481 -10.503
  500   1HE2  GLN  59          2HE2      GLN  59   5.458  -0.157 -11.565
  501   2HE2  GLN  59          1HE2      GLN  59   4.464   1.220 -11.557
  502    H    VAL  60           H        VAL  60   2.595   4.984  -8.382
  503    HA   VAL  60           HA       VAL  60   1.612   4.206  -5.838
  504    HB   VAL  60           HB       VAL  60   0.178   4.747  -8.444
  505   1HG1  VAL  60          2HG1      VAL  60  -1.143   3.298  -6.882
  506   2HG1  VAL  60          1HG1      VAL  60  -0.997   4.557  -5.658
  507   3HG1  VAL  60          3HG1      VAL  60  -1.871   4.879  -7.156
  508   1HG2  VAL  60          1HG2      VAL  60   1.561   6.464  -6.847
  509   2HG2  VAL  60          3HG2      VAL  60   0.152   6.933  -7.795
  510   3HG2  VAL  60          2HG2      VAL  60  -0.030   6.536  -6.089
  511    HA   PRO  61           HA       PRO  61   0.918  -0.132  -6.508
  512   1HB   PRO  61          2HB       PRO  61  -0.409  -0.568  -4.139
  513   2HB   PRO  61          1HB       PRO  61   1.351  -0.388  -4.248
  514   1HG   PRO  61          2HG       PRO  61  -0.668   1.540  -3.214
  515   2HG   PRO  61          1HG       PRO  61   1.054   1.402  -2.823
  516   1HD   PRO  61          2HD       PRO  61  -0.123   3.306  -4.574
  517   2HD   PRO  61          1HD       PRO  61   1.613   2.983  -4.379
  518    H    ARG  62           H        ARG  62  -1.136  -1.617  -6.468
  519    HA   ARG  62           HA       ARG  62  -3.673  -0.105  -6.673
  520   1HB   ARG  62          2HB       ARG  62  -2.147  -0.613  -8.952
  521   2HB   ARG  62          1HB       ARG  62  -3.393  -1.862  -8.971
  522   1HG   ARG  62          2HG       ARG  62  -4.530  -0.141 -10.026
  523   2HG   ARG  62          1HG       ARG  62  -4.969   0.182  -8.348
  524   1HD   ARG  62          2HD       ARG  62  -4.229   2.257  -9.404
  525   2HD   ARG  62          1HD       ARG  62  -3.051   1.769  -8.187
  526    HE   ARG  62           HE       ARG  62  -1.622   0.944 -10.050
  527   1HH1  ARG  62          2HH1      ARG  62  -3.363   0.662 -12.318
  528   2HH1  ARG  62          1HH1      ARG  62  -3.194   2.154 -13.183
  529   1HH2  ARG  62          1HH2      ARG  62  -1.820   3.862 -10.498
  530   2HH2  ARG  62          2HH2      ARG  62  -2.319   3.963 -12.154
  531    H    VAL  63           H        VAL  63  -5.451  -1.353  -6.199
  532    HA   VAL  63           HA       VAL  63  -4.962  -4.269  -5.738
  533    HB   VAL  63           HB       VAL  63  -6.188  -2.154  -4.055
  534   1HG1  VAL  63          3HG1      VAL  63  -8.186  -3.526  -4.622
  535   2HG1  VAL  63          2HG1      VAL  63  -7.330  -4.965  -4.071
  536   3HG1  VAL  63          1HG1      VAL  63  -7.732  -3.684  -2.923
  537   1HG2  VAL  63          2HG2      VAL  63  -4.276  -4.299  -3.897
  538   2HG2  VAL  63          1HG2      VAL  63  -4.562  -2.998  -2.746
  539   3HG2  VAL  63          3HG2      VAL  63  -5.485  -4.493  -2.628
  540    H    GLY  64           H        GLY  64  -6.480  -5.677  -6.604
  541   1HA   GLY  64          2HA       GLY  64  -8.491  -4.458  -8.411
  542   2HA   GLY  64          1HA       GLY  64  -7.961  -6.141  -8.448
   
  No H/Q in entry =         542
  Start of MODEL          18
 Raw file had  552 H/Q atoms
  Start of MODEL   18
    1   1H    MET   1          2H        MET   1 -12.254   7.119  -3.815
    2   2H    MET   1          1H        MET   1 -13.151   6.745  -5.208
    3   3H    MET   1          3H        MET   1 -13.856   6.571  -3.675
    4    HA   MET   1           HA       MET   1 -12.946   4.574  -3.315
    5   1HB   MET   1          2HB       MET   1 -12.491   4.911  -6.293
    6   2HB   MET   1          1HB       MET   1 -12.417   3.364  -5.447
    7   1HG   MET   1          2HG       MET   1 -14.842   5.153  -5.250
    8   2HG   MET   1          1HG       MET   1 -14.660   3.987  -6.562
    9   1HE   MET   1          2HE       MET   1 -16.258   2.632  -6.436
   10   2HE   MET   1          1HE       MET   1 -16.595   1.361  -5.264
   11   3HE   MET   1          3HE       MET   1 -17.268   2.980  -5.036
   12    H    LYS   2           H        LYS   2 -11.096   4.282  -2.165
   13    HA   LYS   2           HA       LYS   2  -8.544   5.367  -3.186
   14   1HB   LYS   2          2HB       LYS   2  -9.453   4.173  -0.573
   15   2HB   LYS   2          1HB       LYS   2  -7.733   4.334  -0.931
   16   1HG   LYS   2          2HG       LYS   2  -9.704   6.627  -1.112
   17   2HG   LYS   2          1HG       LYS   2  -8.709   6.301   0.308
   18   1HD   LYS   2          2HD       LYS   2  -6.677   6.442  -1.160
   19   2HD   LYS   2          1HD       LYS   2  -7.727   6.945  -2.486
   20   1HE   LYS   2          2HE       LYS   2  -7.505   8.380   0.177
   21   2HE   LYS   2          1HE       LYS   2  -6.699   8.886  -1.308
   22   1HZ   LYS   2          3HZ       LYS   2  -8.921   8.996  -2.358
   23   2HZ   LYS   2          2HZ       LYS   2  -9.623   8.686  -0.842
   24   3HZ   LYS   2          1HZ       LYS   2  -8.719  10.104  -1.090
   25    H    THR   3           H        THR   3  -9.489   3.325  -4.820
   26    HA   THR   3           HA       THR   3  -8.103   0.839  -4.000
   27    HB   THR   3           HB       THR   3  -9.481   1.361  -6.639
   28    HG1  THR   3           HG1      THR   3 -11.052   1.789  -5.202
   29   1HG2  THR   3          1HG2      THR   3  -8.947  -1.132  -5.001
   30   2HG2  THR   3          3HG2      THR   3  -9.841  -1.093  -6.521
   31   3HG2  THR   3          2HG2      THR   3  -8.130  -0.670  -6.493
   32    H    GLU   4           H        GLU   4  -7.591   3.635  -6.019
   33    HA   GLU   4           HA       GLU   4  -5.289   2.264  -7.320
   34   1HB   GLU   4          2HB       GLU   4  -6.286   5.010  -8.070
   35   2HB   GLU   4          1HB       GLU   4  -5.402   3.849  -9.057
   36   1HG   GLU   4          2HG       GLU   4  -8.141   3.176  -7.997
   37   2HG   GLU   4          1HG       GLU   4  -7.954   4.117  -9.477
   38    H    TRP   5           H        TRP   5  -6.095   4.796  -5.071
   39    HA   TRP   5           HA       TRP   5  -4.686   6.316  -3.938
   40   1HB   TRP   5          2HB       TRP   5  -2.677   4.097  -4.430
   41   2HB   TRP   5          1HB       TRP   5  -2.575   5.341  -3.184
   42    HD1  TRP   5           HD1      TRP   5  -4.743   5.345  -1.412
   43    HE1  TRP   5           HE1      TRP   5  -5.876   3.303  -0.329
   44    HE3  TRP   5           HE3      TRP   5  -3.313   1.677  -4.695
   45    HZ2  TRP   5           HZ2      TRP   5  -6.123   0.504  -0.767
   46    HZ3  TRP   5           HZ3      TRP   5  -4.022  -0.668  -4.319
   47    HH2  TRP   5           HH2      TRP   5  -5.429  -1.251  -2.363
   48    HA   PRO   6           HA       PRO   6  -2.400   7.130  -7.980
   49   1HB   PRO   6          2HB       PRO   6  -4.145   8.934  -9.129
   50   2HB   PRO   6          1HB       PRO   6  -4.178   7.196  -9.479
   51   1HG   PRO   6          2HG       PRO   6  -6.033   8.804  -7.783
   52   2HG   PRO   6          1HG       PRO   6  -6.338   7.296  -8.663
   53   1HD   PRO   6          2HD       PRO   6  -5.875   7.515  -5.884
   54   2HD   PRO   6          1HD       PRO   6  -5.817   6.024  -6.831
   55    H    GLU   7           H        GLU   7  -4.421   9.014  -5.941
   56    HA   GLU   7           HA       GLU   7  -2.872  11.476  -6.050
   57   1HB   GLU   7          2HB       GLU   7  -5.128  10.397  -4.477
   58   2HB   GLU   7          1HB       GLU   7  -4.081  11.506  -3.592
   59   1HG   GLU   7          2HG       GLU   7  -4.612  13.305  -4.939
   60   2HG   GLU   7          1HG       GLU   7  -4.900  12.293  -6.355
   61    H    LEU   8           H        LEU   8  -2.385   8.385  -4.705
   62    HA   LEU   8           HA       LEU   8  -0.825   9.249  -2.404
   63   1HB   LEU   8          2HB       LEU   8  -2.063   7.056  -2.551
   64   2HB   LEU   8          1HB       LEU   8  -0.878   6.533  -3.747
   65    HG   LEU   8           HG       LEU   8   0.906   7.119  -2.001
   66   1HD1  LEU   8          1HD1      LEU   8  -1.537   7.819  -0.586
   67   2HD1  LEU   8          3HD1      LEU   8  -0.593   6.631   0.313
   68   3HD1  LEU   8          2HD1      LEU   8   0.138   8.166  -0.157
   69   1HD2  LEU   8          2HD2      LEU   8  -1.057   4.854  -1.868
   70   2HD2  LEU   8          1HD2      LEU   8   0.648   4.826  -2.319
   71   3HD2  LEU   8          3HD2      LEU   8   0.185   4.974  -0.624
   72    H    VAL   9           H        VAL   9  -0.257   9.205  -5.715
   73    HA   VAL   9           HA       VAL   9   2.386   8.235  -5.921
   74    HB   VAL   9           HB       VAL   9   0.923  10.452  -7.364
   75   1HG1  VAL   9          2HG1      VAL   9   3.466  10.897  -7.188
   76   2HG1  VAL   9          1HG1      VAL   9   3.662   9.440  -8.167
   77   3HG1  VAL   9          3HG1      VAL   9   2.779  10.822  -8.813
   78   1HG2  VAL   9          2HG2      VAL   9   0.360   8.044  -7.778
   79   2HG2  VAL   9          1HG2      VAL   9   0.973   8.867  -9.212
   80   3HG2  VAL   9          3HG2      VAL   9   2.025   7.785  -8.299
   81    H    GLY  10           H        GLY  10   4.414   9.314  -5.762
   82   1HA   GLY  10          2HA       GLY  10   5.962  10.696  -4.691
   83   2HA   GLY  10          1HA       GLY  10   4.792  11.984  -4.975
   84    H    LYS  11           H        LYS  11   3.504   9.397  -3.128
   85    HA   LYS  11           HA       LYS  11   3.602  11.127  -0.722
   86   1HB   LYS  11          2HB       LYS  11   1.484   9.890  -1.724
   87   2HB   LYS  11          1HB       LYS  11   2.112   8.530  -0.790
   88   1HG   LYS  11          2HG       LYS  11   0.952   9.471   0.929
   89   2HG   LYS  11          1HG       LYS  11   2.334  10.562   1.026
   90   1HD   LYS  11          2HD       LYS  11   0.266  11.291  -0.971
   91   2HD   LYS  11          1HD       LYS  11  -0.221  11.428   0.720
   92   1HE   LYS  11          2HE       LYS  11   2.469  12.488   0.204
   93   2HE   LYS  11          1HE       LYS  11   1.204  13.336  -0.685
   94   1HZ   LYS  11          1HZ       LYS  11   0.023  13.189   1.644
   95   2HZ   LYS  11          3HZ       LYS  11   1.623  13.115   2.201
   96   3HZ   LYS  11          2HZ       LYS  11   1.107  14.445   1.277
   97    H    SER  12           H        SER  12   3.124   8.582   0.928
   98    HA   SER  12           HA       SER  12   5.797   7.322   0.781
   99   1HB   SER  12          2HB       SER  12   5.130   9.439   2.619
  100   2HB   SER  12          1HB       SER  12   5.450   7.953   3.514
  101    HG   SER  12           HG       SER  12   7.466   8.437   3.161
  102    H    VAL  13           H        VAL  13   5.964   5.591   2.556
  103    HA   VAL  13           HA       VAL  13   3.871   3.729   2.334
  104    HB   VAL  13           HB       VAL  13   5.923   4.038   4.543
  105   1HG1  VAL  13          2HG1      VAL  13   3.758   2.060   4.037
  106   2HG1  VAL  13          1HG1      VAL  13   5.327   1.407   4.510
  107   3HG1  VAL  13          3HG1      VAL  13   4.496   2.554   5.561
  108   1HG2  VAL  13          3HG2      VAL  13   6.010   3.135   1.792
  109   2HG2  VAL  13          2HG2      VAL  13   7.338   3.326   2.937
  110   3HG2  VAL  13          1HG2      VAL  13   6.429   1.815   2.885
  111    H    GLU  14           H        GLU  14   4.471   6.129   4.886
  112    HA   GLU  14           HA       GLU  14   2.609   5.493   6.807
  113   1HB   GLU  14          2HB       GLU  14   3.347   8.160   5.613
  114   2HB   GLU  14          1HB       GLU  14   2.165   8.051   6.917
  115   1HG   GLU  14          2HG       GLU  14   4.995   6.962   7.021
  116   2HG   GLU  14          1HG       GLU  14   4.440   8.439   7.808
  117    H    GLU  15           H        GLU  15   1.686   7.809   4.247
  118    HA   GLU  15           HA       GLU  15  -1.115   7.497   4.567
  119   1HB   GLU  15          2HB       GLU  15   0.325   9.179   3.115
  120   2HB   GLU  15          1HB       GLU  15   0.046   7.987   1.845
  121   1HG   GLU  15          2HG       GLU  15  -2.015   8.830   1.529
  122   2HG   GLU  15          1HG       GLU  15  -2.434   8.370   3.179
  123    H    ALA  16           H        ALA  16   1.177   5.690   2.533
  124    HA   ALA  16           HA       ALA  16  -0.732   4.202   1.057
  125   1HB   ALA  16          1HB       ALA  16   2.129   3.915   1.746
  126   2HB   ALA  16          3HB       ALA  16   1.307   2.411   1.337
  127   3HB   ALA  16          2HB       ALA  16   1.327   3.747   0.187
  128    H    LYS  17           H        LYS  17   1.219   2.467   3.481
  129    HA   LYS  17           HA       LYS  17  -0.622   0.451   4.005
  130   1HB   LYS  17          2HB       LYS  17   1.608   0.419   4.992
  131   2HB   LYS  17          1HB       LYS  17   1.220   1.823   5.988
  132   1HG   LYS  17          2HG       LYS  17   0.748   0.201   7.542
  133   2HG   LYS  17          1HG       LYS  17  -0.812   0.203   6.718
  134   1HD   LYS  17          2HD       LYS  17  -0.507  -1.922   6.052
  135   2HD   LYS  17          1HD       LYS  17   1.016  -1.488   5.277
  136   1HE   LYS  17          2HE       LYS  17   1.345  -3.219   7.020
  137   2HE   LYS  17          1HE       LYS  17   2.198  -1.728   7.418
  138   1HZ   LYS  17          2HZ       LYS  17   0.290  -1.095   8.805
  139   2HZ   LYS  17          1HZ       LYS  17  -0.429  -2.601   8.489
  140   3HZ   LYS  17          3HZ       LYS  17   1.035  -2.524   9.341
  141    H    LYS  18           H        LYS  18  -0.679   3.749   5.140
  142    HA   LYS  18           HA       LYS  18  -2.573   3.531   7.245
  143   1HB   LYS  18          2HB       LYS  18  -1.653   5.708   5.416
  144   2HB   LYS  18          1HB       LYS  18  -3.114   5.981   6.367
  145   1HG   LYS  18          2HG       LYS  18  -0.937   4.782   7.930
  146   2HG   LYS  18          1HG       LYS  18  -0.536   6.375   7.286
  147   1HD   LYS  18          2HD       LYS  18  -2.882   7.076   8.157
  148   2HD   LYS  18          1HD       LYS  18  -2.793   5.606   9.129
  149   1HE   LYS  18          2HE       LYS  18  -0.330   6.666   9.603
  150   2HE   LYS  18          1HE       LYS  18  -1.281   8.138   9.394
  151   1HZ   LYS  18          3HZ       LYS  18  -2.867   7.273  11.021
  152   2HZ   LYS  18          2HZ       LYS  18  -1.890   5.902  11.253
  153   3HZ   LYS  18          1HZ       LYS  18  -1.316   7.440  11.688
  154    H    VAL  19           H        VAL  19  -3.513   5.315   4.386
  155    HA   VAL  19           HA       VAL  19  -6.267   4.684   4.597
  156    HB   VAL  19           HB       VAL  19  -4.967   5.305   1.949
  157   1HG1  VAL  19          2HG1      VAL  19  -7.606   5.632   3.262
  158   2HG1  VAL  19          1HG1      VAL  19  -7.071   6.993   2.274
  159   3HG1  VAL  19          3HG1      VAL  19  -7.216   5.387   1.558
  160   1HG2  VAL  19          3HG2      VAL  19  -5.158   7.058   4.403
  161   2HG2  VAL  19          2HG2      VAL  19  -3.770   6.817   3.336
  162   3HG2  VAL  19          1HG2      VAL  19  -5.159   7.757   2.783
  163    H    ILE  20           H        ILE  20  -3.708   3.127   2.726
  164    HA   ILE  20           HA       ILE  20  -5.213   1.383   1.133
  165    HB   ILE  20           HB       ILE  20  -2.556   0.973   2.526
  166   1HG1  ILE  20          2HG1      ILE  20  -1.545   1.771   0.615
  167   2HG1  ILE  20          1HG1      ILE  20  -2.857   1.259  -0.432
  168   1HG2  ILE  20          2HG2      ILE  20  -4.224  -0.961   1.269
  169   2HG2  ILE  20          1HG2      ILE  20  -2.859  -0.656   0.197
  170   3HG2  ILE  20          3HG2      ILE  20  -2.576  -1.168   1.861
  171   1HD1  ILE  20          2HD1      ILE  20  -4.228   3.144   0.654
  172   2HD1  ILE  20          1HD1      ILE  20  -2.699   3.723   1.303
  173   3HD1  ILE  20          3HD1      ILE  20  -2.935   3.627  -0.437
  174    H    LEU  21           H        LEU  21  -3.932   0.772   4.419
  175    HA   LEU  21           HA       LEU  21  -4.771  -1.773   4.931
  176   1HB   LEU  21          2HB       LEU  21  -3.701  -0.507   6.667
  177   2HB   LEU  21          1HB       LEU  21  -5.048   0.636   6.738
  178    HG   LEU  21           HG       LEU  21  -6.546  -1.189   7.475
  179   1HD1  LEU  21          2HD1      LEU  21  -4.022  -2.789   7.101
  180   2HD1  LEU  21          1HD1      LEU  21  -5.244  -3.315   8.259
  181   3HD1  LEU  21          3HD1      LEU  21  -5.657  -3.158   6.552
  182   1HD2  LEU  21          3HD2      LEU  21  -5.285   0.187   9.139
  183   2HD2  LEU  21          2HD2      LEU  21  -5.627  -1.440   9.726
  184   3HD2  LEU  21          1HD2      LEU  21  -4.014  -1.036   9.142
  185    H    GLN  22           H        GLN  22  -7.022   0.879   4.318
  186    HA   GLN  22           HA       GLN  22  -9.134  -1.175   4.638
  187   1HB   GLN  22          2HB       GLN  22  -8.726   0.950   6.475
  188   2HB   GLN  22          1HB       GLN  22 -10.224   1.274   5.601
  189   1HG   GLN  22          2HG       GLN  22 -11.227  -0.722   6.300
  190   2HG   GLN  22          1HG       GLN  22  -9.679  -1.507   6.626
  191   1HE2  GLN  22          2HE2      GLN  22 -10.036  -0.717  10.039
  192   2HE2  GLN  22          1HE2      GLN  22  -9.675  -1.885   8.862
  193    H    ASP  23           H        ASP  23  -7.853   0.713   2.396
  194    HA   ASP  23           HA       ASP  23  -9.891   2.364   1.359
  195   1HB   ASP  23          2HB       ASP  23  -8.803   2.219  -0.716
  196   2HB   ASP  23          1HB       ASP  23  -7.507   1.745   0.381
  197    H    LYS  24           H        LYS  24 -11.767   1.823  -0.047
  198    HA   LYS  24           HA       LYS  24 -13.642   0.450  -0.461
  199   1HB   LYS  24          2HB       LYS  24 -11.450  -1.622  -0.842
  200   2HB   LYS  24          1HB       LYS  24 -13.067  -1.668  -1.549
  201   1HG   LYS  24          2HG       LYS  24 -12.625   0.168  -2.963
  202   2HG   LYS  24          1HG       LYS  24 -11.194   0.638  -2.047
  203   1HD   LYS  24          2HD       LYS  24 -10.051  -0.500  -3.647
  204   2HD   LYS  24          1HD       LYS  24 -10.568  -1.935  -2.763
  205   1HE   LYS  24          2HE       LYS  24 -12.760  -1.239  -4.381
  206   2HE   LYS  24          1HE       LYS  24 -11.342  -1.057  -5.413
  207   1HZ   LYS  24          1HZ       LYS  24 -10.750  -3.338  -4.219
  208   2HZ   LYS  24          3HZ       LYS  24 -12.442  -3.449  -4.174
  209   3HZ   LYS  24          2HZ       LYS  24 -11.645  -3.264  -5.662
  210    HA   PRO  25           HA       PRO  25 -14.257  -2.214   3.152
  211   1HB   PRO  25          2HB       PRO  25 -13.526  -4.855   3.038
  212   2HB   PRO  25          1HB       PRO  25 -14.988  -4.217   2.264
  213   1HG   PRO  25          2HG       PRO  25 -12.404  -5.033   1.020
  214   2HG   PRO  25          1HG       PRO  25 -14.034  -5.036   0.325
  215   1HD   PRO  25          2HD       PRO  25 -12.042  -3.108  -0.169
  216   2HD   PRO  25          1HD       PRO  25 -13.772  -2.932  -0.538
  217    H    GLU  26           H        GLU  26 -11.556  -4.422   2.598
  218    HA   GLU  26           HA       GLU  26  -9.775  -2.835   4.368
  219   1HB   GLU  26          2HB       GLU  26 -10.184  -5.769   4.916
  220   2HB   GLU  26          1HB       GLU  26  -9.438  -4.545   5.944
  221   1HG   GLU  26          2HG       GLU  26 -11.912  -3.475   5.671
  222   2HG   GLU  26          1HG       GLU  26 -12.309  -5.188   5.544
  223    H    ALA  27           H        ALA  27  -8.914  -2.722   2.048
  224    HA   ALA  27           HA       ALA  27  -7.584  -5.190   1.166
  225   1HB   ALA  27          2HB       ALA  27  -8.544  -2.854  -0.107
  226   2HB   ALA  27          1HB       ALA  27  -6.792  -2.848  -0.320
  227   3HB   ALA  27          3HB       ALA  27  -7.746  -4.230  -0.870
  228    H    GLN  28           H        GLN  28  -5.613  -5.692   1.988
  229    HA   GLN  28           HA       GLN  28  -4.029  -3.615   3.352
  230   1HB   GLN  28          2HB       GLN  28  -4.403  -6.341   3.760
  231   2HB   GLN  28          1HB       GLN  28  -2.778  -6.242   3.077
  232   1HG   GLN  28          2HG       GLN  28  -2.608  -4.198   4.807
  233   2HG   GLN  28          1HG       GLN  28  -3.818  -5.163   5.654
  234   1HE2  GLN  28          2HE2      GLN  28  -1.474  -8.026   5.841
  235   2HE2  GLN  28          1HE2      GLN  28  -3.056  -7.758   5.283
  236    H    ILE  29           H        ILE  29  -1.467  -4.043   2.902
  237    HA   ILE  29           HA       ILE  29  -1.009  -4.401   0.014
  238    HB   ILE  29           HB       ILE  29  -1.625  -2.028   0.251
  239   1HG1  ILE  29          2HG1      ILE  29   1.348  -2.184  -0.179
  240   2HG1  ILE  29          1HG1      ILE  29   0.236  -2.969  -1.294
  241   1HG2  ILE  29          3HG2      ILE  29  -0.345  -2.184   2.677
  242   2HG2  ILE  29          2HG2      ILE  29   0.854  -1.342   1.697
  243   3HG2  ILE  29          1HG2      ILE  29  -0.770  -0.673   1.872
  244   1HD1  ILE  29          3HD1      ILE  29  -0.496  -0.195  -0.602
  245   2HD1  ILE  29          2HD1      ILE  29   1.015  -0.347  -1.497
  246   3HD1  ILE  29          1HD1      ILE  29  -0.479  -0.992  -2.174
  247    H    ILE  30           H        ILE  30   1.198  -4.708  -0.537
  248    HA   ILE  30           HA       ILE  30   2.978  -5.299   1.798
  249    HB   ILE  30           HB       ILE  30   2.748  -6.517  -0.959
  250   1HG1  ILE  30          2HG1      ILE  30   1.289  -7.373   0.874
  251   2HG1  ILE  30          1HG1      ILE  30   2.441  -8.587   0.314
  252   1HG2  ILE  30          2HG2      ILE  30   5.113  -6.218   0.729
  253   2HG2  ILE  30          1HG2      ILE  30   4.737  -7.909   0.398
  254   3HG2  ILE  30          3HG2      ILE  30   4.988  -6.785  -0.939
  255   1HD1  ILE  30          2HD1      ILE  30   3.978  -7.694   2.203
  256   2HD1  ILE  30          1HD1      ILE  30   2.513  -6.957   2.851
  257   3HD1  ILE  30          3HD1      ILE  30   2.611  -8.708   2.664
  258    H    VAL  31           H        VAL  31   4.821  -4.042   1.923
  259    HA   VAL  31           HA       VAL  31   5.304  -2.178  -0.302
  260    HB   VAL  31           HB       VAL  31   6.897  -2.303   2.255
  261   1HG1  VAL  31          1HG1      VAL  31   6.480  -0.414   0.011
  262   2HG1  VAL  31          3HG1      VAL  31   6.524   0.310   1.619
  263   3HG1  VAL  31          2HG1      VAL  31   7.892  -0.642   1.042
  264   1HG2  VAL  31          3HG2      VAL  31   4.112  -1.263   1.760
  265   2HG2  VAL  31          2HG2      VAL  31   4.706  -2.219   3.118
  266   3HG2  VAL  31          1HG2      VAL  31   5.144  -0.516   2.979
  267    H    LEU  32           H        LEU  32   7.287  -1.988  -1.383
  268    HA   LEU  32           HA       LEU  32   9.122  -4.343  -1.157
  269   1HB   LEU  32          2HB       LEU  32   8.476  -4.986  -3.245
  270   2HB   LEU  32          1HB       LEU  32   7.286  -3.721  -3.248
  271    HG   LEU  32           HG       LEU  32  10.115  -3.089  -3.991
  272   1HD1  LEU  32          1HD1      LEU  32   8.042  -4.517  -5.641
  273   2HD1  LEU  32          3HD1      LEU  32   9.303  -3.532  -6.384
  274   3HD1  LEU  32          2HD1      LEU  32   9.740  -4.943  -5.420
  275   1HD2  LEU  32          1HD2      LEU  32   7.380  -2.013  -4.286
  276   2HD2  LEU  32          3HD2      LEU  32   8.873  -1.144  -3.984
  277   3HD2  LEU  32          2HD2      LEU  32   8.511  -1.717  -5.605
  278    HA   PRO  33           HA       PRO  33  12.368  -1.353  -1.463
  279   1HB   PRO  33          2HB       PRO  33  14.284  -2.857  -2.725
  280   2HB   PRO  33          1HB       PRO  33  13.803  -3.121  -1.040
  281   1HG   PRO  33          2HG       PRO  33  13.162  -4.760  -3.444
  282   2HG   PRO  33          1HG       PRO  33  13.264  -5.249  -1.745
  283   1HD   PRO  33          2HD       PRO  33  10.881  -4.736  -3.203
  284   2HD   PRO  33          1HD       PRO  33  11.014  -4.959  -1.446
  285    H    VAL  34           H        VAL  34  10.399  -1.344  -3.582
  286    HA   VAL  34           HA       VAL  34   9.907  -0.515  -5.659
  287    HB   VAL  34           HB       VAL  34  11.565   1.251  -4.552
  288   1HG1  VAL  34          1HG1      VAL  34  13.399  -0.259  -6.000
  289   2HG1  VAL  34          3HG1      VAL  34  13.089   1.126  -7.049
  290   3HG1  VAL  34          2HG1      VAL  34  13.661   1.379  -5.401
  291   1HG2  VAL  34          3HG2      VAL  34  10.749   1.225  -7.473
  292   2HG2  VAL  34          2HG2      VAL  34   9.744   1.750  -6.122
  293   3HG2  VAL  34          1HG2      VAL  34  11.189   2.665  -6.556
  294    H    GLY  35           H        GLY  35  12.108  -2.913  -5.310
  295   1HA   GLY  35          2HA       GLY  35  12.144  -3.402  -8.209
  296   2HA   GLY  35          1HA       GLY  35  13.723  -3.268  -7.435
  297    H    THR  36           H        THR  36  14.119  -5.520  -7.979
  298    HA   THR  36           HA       THR  36  12.512  -7.722  -7.327
  299    HB   THR  36           HB       THR  36  15.124  -8.529  -6.684
  300    HG1  THR  36           HG1      THR  36  15.348  -6.974  -8.979
  301   1HG2  THR  36          3HG2      THR  36  13.331  -8.607  -9.074
  302   2HG2  THR  36          2HG2      THR  36  15.004  -9.124  -9.270
  303   3HG2  THR  36          1HG2      THR  36  13.962  -9.936  -8.102
  304    H    ILE  37           H        ILE  37  11.833  -8.593  -5.423
  305    HA   ILE  37           HA       ILE  37  12.237  -7.305  -2.929
  306    HB   ILE  37           HB       ILE  37  10.368  -8.866  -3.410
  307   1HG1  ILE  37          2HG1      ILE  37  11.289  -8.336  -1.051
  308   2HG1  ILE  37          1HG1      ILE  37  10.212  -9.719  -1.212
  309   1HG2  ILE  37          1HG2      ILE  37  12.588 -10.646  -3.985
  310   2HG2  ILE  37          3HG2      ILE  37  11.488 -11.365  -2.809
  311   3HG2  ILE  37          2HG2      ILE  37  10.878 -10.833  -4.375
  312   1HD1  ILE  37          1HD1      ILE  37  12.892 -10.618  -1.698
  313   2HD1  ILE  37          3HD1      ILE  37  12.884  -9.677  -0.208
  314   3HD1  ILE  37          2HD1      ILE  37  11.811 -11.066  -0.382
  315    H    VAL  38           H        VAL  38  14.213  -9.572  -4.647
  316    HA   VAL  38           HA       VAL  38  15.705 -10.532  -2.353
  317    HB   VAL  38           HB       VAL  38  16.526 -10.435  -5.272
  318   1HG1  VAL  38          1HG1      VAL  38  17.745 -11.476  -2.802
  319   2HG1  VAL  38          3HG1      VAL  38  17.649 -12.664  -4.104
  320   3HG1  VAL  38          2HG1      VAL  38  18.487 -11.134  -4.365
  321   1HG2  VAL  38          3HG2      VAL  38  14.315 -11.642  -4.540
  322   2HG2  VAL  38          2HG2      VAL  38  15.457 -12.501  -5.573
  323   3HG2  VAL  38          1HG2      VAL  38  15.409 -12.837  -3.842
  324    H    THR  39           H        THR  39  16.189  -8.504  -1.260
  325    HA   THR  39           HA       THR  39  17.450  -6.552  -0.859
  326    HB   THR  39           HB       THR  39  19.889  -6.871  -1.496
  327    HG1  THR  39           HG1      THR  39  20.347  -8.378  -2.867
  328   1HG2  THR  39          2HG2      THR  39  18.734  -7.756   0.616
  329   2HG2  THR  39          1HG2      THR  39  18.704  -9.325  -0.191
  330   3HG2  THR  39          3HG2      THR  39  20.245  -8.543   0.160
  331   1H    GLU  41          2H        GLU  41 -10.381 -10.252  -9.391
  332   2H    GLU  41          1H        GLU  41 -10.189  -9.506 -10.905
  333   3H    GLU  41          3H        GLU  41 -10.294  -8.559  -9.501
  334    HA   GLU  41           HA       GLU  41 -12.377  -8.468 -10.673
  335   1HB   GLU  41          2HB       GLU  41 -11.991 -10.735 -11.766
  336   2HB   GLU  41          1HB       GLU  41 -12.529 -11.460 -10.251
  337   1HG   GLU  41          2HG       GLU  41 -14.698 -10.512 -10.439
  338   2HG   GLU  41          1HG       GLU  41 -14.184  -9.395 -11.704
  339    H    TYR  42           H        TYR  42 -11.033  -9.483  -7.810
  340    HA   TYR  42           HA       TYR  42 -13.644  -9.173  -6.401
  341   1HB   TYR  42          2HB       TYR  42 -12.703 -10.691  -4.639
  342   2HB   TYR  42          1HB       TYR  42 -12.929 -11.472  -6.198
  343    HD1  TYR  42           HD1      TYR  42 -10.902 -11.546  -7.804
  344    HD2  TYR  42           HD2      TYR  42 -10.589 -10.728  -3.601
  345    HE1  TYR  42           HE1      TYR  42  -8.511 -12.170  -7.864
  346    HE2  TYR  42           HE2      TYR  42  -8.196 -11.350  -3.659
  347    HH   TYR  42           HH       TYR  42  -6.345 -11.363  -5.600
  348    H    ARG  43           H        ARG  43 -11.862  -9.327  -3.841
  349    HA   ARG  43           HA       ARG  43 -10.704  -6.581  -4.075
  350   1HB   ARG  43          2HB       ARG  43 -11.692  -5.911  -2.015
  351   2HB   ARG  43          1HB       ARG  43 -12.991  -6.685  -2.921
  352   1HG   ARG  43          2HG       ARG  43 -11.923  -8.834  -1.614
  353   2HG   ARG  43          1HG       ARG  43 -11.648  -7.556  -0.427
  354   1HD   ARG  43          2HD       ARG  43 -13.877  -7.300  -0.008
  355   2HD   ARG  43          1HD       ARG  43 -14.323  -7.533  -1.698
  356    HE   ARG  43           HE       ARG  43 -13.666 -10.053  -1.066
  357   1HH1  ARG  43          1HH2      ARG  43 -16.235  -8.091  -0.290
  358   2HH1  ARG  43          2HH2      ARG  43 -16.810  -9.046   1.036
  359   1HH2  ARG  43          2HH1      ARG  43 -14.029 -11.114   1.103
  360   2HH2  ARG  43          1HH1      ARG  43 -15.563 -10.756   1.824
  361    H    ILE  44           H        ILE  44  -8.937  -8.607  -4.329
  362    HA   ILE  44           HA       ILE  44  -7.947  -9.940  -2.091
  363    HB   ILE  44           HB       ILE  44  -6.802 -10.225  -4.195
  364   1HG1  ILE  44          2HG1      ILE  44  -4.519  -8.896  -3.062
  365   2HG1  ILE  44          1HG1      ILE  44  -5.490  -9.574  -1.749
  366   1HG2  ILE  44          2HG2      ILE  44  -7.133  -7.454  -4.412
  367   2HG2  ILE  44          1HG2      ILE  44  -5.388  -7.682  -4.293
  368   3HG2  ILE  44          3HG2      ILE  44  -6.301  -8.500  -5.563
  369   1HD1  ILE  44          1HD1      ILE  44  -5.370 -11.472  -3.908
  370   2HD1  ILE  44          3HD1      ILE  44  -3.732 -10.959  -3.506
  371   3HD1  ILE  44          2HD1      ILE  44  -4.771 -11.646  -2.259
  372    H    ASP  45           H        ASP  45  -6.808  -9.320  -0.249
  373    HA   ASP  45           HA       ASP  45  -6.741  -6.399   0.212
  374   1HB   ASP  45          2HB       ASP  45  -6.987  -6.854   2.495
  375   2HB   ASP  45          1HB       ASP  45  -7.874  -8.185   1.749
  376    H    ARG  46           H        ARG  46  -4.788  -7.174  -1.488
  377    HA   ARG  46           HA       ARG  46  -2.353  -6.621   0.092
  378   1HB   ARG  46          2HB       ARG  46  -2.678  -9.170  -0.190
  379   2HB   ARG  46          1HB       ARG  46  -2.339  -8.896  -1.898
  380   1HG   ARG  46          2HG       ARG  46  -0.223  -7.678  -1.133
  381   2HG   ARG  46          1HG       ARG  46  -0.526  -8.369   0.461
  382   1HD   ARG  46          2HD       ARG  46  -0.484 -10.110  -1.998
  383   2HD   ARG  46          1HD       ARG  46   1.009  -9.694  -1.157
  384    HE   ARG  46           HE       ARG  46  -0.740 -10.628   0.827
  385   1HH1  ARG  46          1HH2      ARG  46   1.646 -11.680  -1.268
  386   2HH1  ARG  46          2HH2      ARG  46   1.264 -13.364  -1.149
  387   1HH2  ARG  46          2HH1      ARG  46  -1.668 -12.848   0.630
  388   2HH2  ARG  46          1HH1      ARG  46  -0.612 -14.025  -0.075
  389    H    VAL  47           H        VAL  47  -0.703  -5.654  -1.225
  390    HA   VAL  47           HA       VAL  47  -1.226  -5.308  -4.104
  391    HB   VAL  47           HB       VAL  47  -0.676  -2.711  -2.860
  392   1HG1  VAL  47          1HG1      VAL  47  -2.710  -3.791  -4.823
  393   2HG1  VAL  47          3HG1      VAL  47  -2.562  -2.085  -4.400
  394   3HG1  VAL  47          2HG1      VAL  47  -1.226  -2.915  -5.198
  395   1HG2  VAL  47          3HG2      VAL  47  -3.271  -4.156  -2.246
  396   2HG2  VAL  47          2HG2      VAL  47  -2.148  -3.440  -1.090
  397   3HG2  VAL  47          1HG2      VAL  47  -3.094  -2.405  -2.158
  398    H    ARG  48           H        ARG  48   0.618  -3.430  -4.759
  399    HA   ARG  48           HA       ARG  48   3.138  -4.480  -3.528
  400   1HB   ARG  48          2HB       ARG  48   2.329  -4.059  -6.350
  401   2HB   ARG  48          1HB       ARG  48   3.974  -3.570  -5.938
  402   1HG   ARG  48          2HG       ARG  48   2.768  -6.286  -5.319
  403   2HG   ARG  48          1HG       ARG  48   3.851  -5.950  -6.670
  404   1HD   ARG  48          2HD       ARG  48   5.494  -5.041  -4.902
  405   2HD   ARG  48          1HD       ARG  48   4.465  -5.846  -3.711
  406    HE   ARG  48           HE       ARG  48   5.404  -7.885  -4.410
  407   1HH1  ARG  48          1HH2      ARG  48   4.430  -7.763  -7.217
  408   2HH1  ARG  48          2HH2      ARG  48   5.905  -7.745  -8.127
  409   1HH2  ARG  48          2HH1      ARG  48   7.875  -6.870  -5.411
  410   2HH2  ARG  48          1HH1      ARG  48   7.854  -7.239  -7.103
  411    H    LEU  49           H        LEU  49   2.658  -2.540  -2.033
  412    HA   LEU  49           HA       LEU  49   2.774   0.141  -2.906
  413   1HB   LEU  49          2HB       LEU  49   2.493  -0.850  -0.495
  414   2HB   LEU  49          1HB       LEU  49   4.244  -0.737  -0.433
  415    HG   LEU  49           HG       LEU  49   2.223   1.475  -0.697
  416   1HD1  LEU  49          1HD1      LEU  49   4.556   0.775   1.089
  417   2HD1  LEU  49          3HD1      LEU  49   3.919   2.421   1.020
  418   3HD1  LEU  49          2HD1      LEU  49   2.878   1.096   1.539
  419   1HD2  LEU  49          3HD2      LEU  49   3.900   1.753  -2.533
  420   2HD2  LEU  49          2HD2      LEU  49   4.035   3.014  -1.306
  421   3HD2  LEU  49          1HD2      LEU  49   5.190   1.680  -1.332
  422    H    PHE  50           H        PHE  50   4.276   0.673  -4.464
  423    HA   PHE  50           HA       PHE  50   7.068  -0.229  -4.141
  424   1HB   PHE  50          2HB       PHE  50   5.431   0.889  -6.343
  425   2HB   PHE  50          1HB       PHE  50   7.127   1.373  -6.325
  426    HD1  PHE  50           HD2      PHE  50   5.549  -1.921  -5.355
  427    HD2  PHE  50           HD1      PHE  50   8.161   0.203  -8.021
  428    HE1  PHE  50           HE2      PHE  50   6.151  -4.042  -6.456
  429    HE2  PHE  50           HE1      PHE  50   8.772  -1.930  -9.115
  430    HZ   PHE  50           HZ       PHE  50   7.768  -4.056  -8.334
  431    H    VAL  51           H        VAL  51   8.445   1.025  -2.970
  432    HA   VAL  51           HA       VAL  51   7.809   3.937  -2.745
  433    HB   VAL  51           HB       VAL  51   9.519   3.715  -0.776
  434   1HG1  VAL  51          1HG1      VAL  51   6.690   3.358  -1.012
  435   2HG1  VAL  51          3HG1      VAL  51   7.281   2.261   0.236
  436   3HG1  VAL  51          2HG1      VAL  51   7.599   3.991   0.362
  437   1HG2  VAL  51          2HG2      VAL  51   9.886   1.228  -1.713
  438   2HG2  VAL  51          1HG2      VAL  51  10.028   1.605   0.004
  439   3HG2  VAL  51          3HG2      VAL  51   8.539   0.900  -0.625
  440    H    ASP  52           H        ASP  52  10.135   5.074  -2.111
  441    HA   ASP  52           HA       ASP  52  12.068   4.188  -4.200
  442   1HB   ASP  52          2HB       ASP  52  12.015   6.188  -5.287
  443   2HB   ASP  52          1HB       ASP  52  10.467   6.400  -4.481
  444    H    LYS  53           H        LYS  53  13.950   6.219  -3.696
  445    HA   LYS  53           HA       LYS  53  15.550   5.179  -1.678
  446   1HB   LYS  53          2HB       LYS  53  15.427   8.098  -2.400
  447   2HB   LYS  53          1HB       LYS  53  16.856   7.150  -1.977
  448   1HG   LYS  53          2HG       LYS  53  15.828   5.762  -4.122
  449   2HG   LYS  53          1HG       LYS  53  15.462   7.430  -4.556
  450   1HD   LYS  53          2HD       LYS  53  18.065   7.565  -3.563
  451   2HD   LYS  53          1HD       LYS  53  18.047   6.060  -4.482
  452   1HE   LYS  53          2HE       LYS  53  18.493   7.495  -6.218
  453   2HE   LYS  53          1HE       LYS  53  16.735   7.623  -6.229
  454   1HZ   LYS  53          3HZ       LYS  53  17.159   9.481  -4.506
  455   2HZ   LYS  53          2HZ       LYS  53  18.727   9.506  -5.162
  456   3HZ   LYS  53          1HZ       LYS  53  17.382   9.812  -6.153
  457    H    LEU  54           H        LEU  54  13.688   8.235  -1.398
  458    HA   LEU  54           HA       LEU  54  13.840   8.029   1.543
  459   1HB   LEU  54          2HB       LEU  54  13.167  10.144  -0.435
  460   2HB   LEU  54          1HB       LEU  54  12.322  10.227   1.111
  461    HG   LEU  54           HG       LEU  54  14.516  10.079   2.280
  462   1HD1  LEU  54          1HD1      LEU  54  15.391   9.275  -0.284
  463   2HD1  LEU  54          3HD1      LEU  54  16.158  10.831   0.027
  464   3HD1  LEU  54          2HD1      LEU  54  16.381   9.498   1.159
  465   1HD2  LEU  54          3HD2      LEU  54  13.443  12.277   1.694
  466   2HD2  LEU  54          2HD2      LEU  54  15.201  12.365   1.807
  467   3HD2  LEU  54          1HD2      LEU  54  14.421  12.312   0.226
  468    H    ASP  55           H        ASP  55  12.364   5.931   0.578
  469    HA   ASP  55           HA       ASP  55  10.216   4.954   0.561
  470   1HB   ASP  55          2HB       ASP  55   8.985   6.505   2.624
  471   2HB   ASP  55          1HB       ASP  55   9.677   4.885   2.746
  472    H    ASN  56           H        ASN  56  10.321   6.801  -1.436
  473    HA   ASN  56           HA       ASN  56   7.817   8.396  -1.150
  474   1HB   ASN  56          2HB       ASN  56   9.572   9.860  -1.810
  475   2HB   ASN  56          1HB       ASN  56  10.207   8.695  -2.970
  476   1HD2  ASN  56          2HD2      ASN  56   8.015   9.675  -5.562
  477   2HD2  ASN  56          1HD2      ASN  56   9.241   8.610  -5.070
  478    H    ILE  57           H        ILE  57   6.143   7.290  -1.852
  479    HA   ILE  57           HA       ILE  57   6.214   5.026  -3.552
  480    HB   ILE  57           HB       ILE  57   3.877   6.926  -3.218
  481   1HG1  ILE  57          2HG1      ILE  57   4.922   4.694  -1.446
  482   2HG1  ILE  57          1HG1      ILE  57   4.708   6.388  -1.010
  483   1HG2  ILE  57          1HG2      ILE  57   4.220   4.560  -4.703
  484   2HG2  ILE  57          3HG2      ILE  57   3.323   4.079  -3.262
  485   3HG2  ILE  57          2HG2      ILE  57   2.693   5.352  -4.310
  486   1HD1  ILE  57          3HD1      ILE  57   2.439   4.562  -1.842
  487   2HD1  ILE  57          2HD1      ILE  57   2.877   4.888  -0.165
  488   3HD1  ILE  57          1HD1      ILE  57   2.305   6.197  -1.196
  489    H    ALA  58           H        ALA  58   7.463   5.534  -5.400
  490    HA   ALA  58           HA       ALA  58   6.527   7.690  -7.189
  491   1HB   ALA  58          3HB       ALA  58   8.874   5.829  -7.115
  492   2HB   ALA  58          2HB       ALA  58   8.393   6.501  -8.675
  493   3HB   ALA  58          1HB       ALA  58   8.840   7.577  -7.351
  494    H    GLN  59           H        GLN  59   6.085   4.317  -6.682
  495    HA   GLN  59           HA       GLN  59   4.591   4.137  -9.267
  496   1HB   GLN  59          2HB       GLN  59   6.296   2.076  -7.857
  497   2HB   GLN  59          1HB       GLN  59   5.063   1.611  -9.031
  498   1HG   GLN  59          2HG       GLN  59   6.570   3.762 -10.154
  499   2HG   GLN  59          1HG       GLN  59   7.710   2.566  -9.540
  500   1HE2  GLN  59          2HE2      GLN  59   6.583  -0.012 -11.793
  501   2HE2  GLN  59          1HE2      GLN  59   7.242   0.225 -10.247
  502    H    VAL  60           H        VAL  60   2.751   4.915  -8.026
  503    HA   VAL  60           HA       VAL  60   1.727   3.913  -5.650
  504    HB   VAL  60           HB       VAL  60   0.376   4.942  -8.138
  505   1HG1  VAL  60          2HG1      VAL  60  -1.154   3.320  -6.987
  506   2HG1  VAL  60          1HG1      VAL  60  -0.998   4.282  -5.516
  507   3HG1  VAL  60          3HG1      VAL  60  -1.742   4.981  -6.953
  508   1HG2  VAL  60          2HG2      VAL  60   0.948   5.985  -5.357
  509   2HG2  VAL  60          1HG2      VAL  60   1.530   6.623  -6.894
  510   3HG2  VAL  60          3HG2      VAL  60  -0.170   6.792  -6.457
  511    HA   PRO  61           HA       PRO  61   0.635  -0.283  -6.648
  512   1HB   PRO  61          2HB       PRO  61  -0.612  -0.811  -4.260
  513   2HB   PRO  61          1HB       PRO  61   1.149  -0.762  -4.446
  514   1HG   PRO  61          2HG       PRO  61  -0.655   1.222  -3.153
  515   2HG   PRO  61          1HG       PRO  61   1.066   0.918  -2.865
  516   1HD   PRO  61          2HD       PRO  61  -0.030   3.050  -4.393
  517   2HD   PRO  61          1HD       PRO  61   1.681   2.576  -4.315
  518    H    ARG  62           H        ARG  62  -1.494  -1.634  -6.524
  519    HA   ARG  62           HA       ARG  62  -3.956   0.007  -6.514
  520   1HB   ARG  62          2HB       ARG  62  -2.579  -0.707  -8.917
  521   2HB   ARG  62          1HB       ARG  62  -4.089  -1.616  -8.852
  522   1HG   ARG  62          2HG       ARG  62  -4.789   0.372  -9.846
  523   2HG   ARG  62          1HG       ARG  62  -5.113   0.697  -8.145
  524   1HD   ARG  62          2HD       ARG  62  -3.828   2.552  -8.419
  525   2HD   ARG  62          1HD       ARG  62  -2.459   1.442  -8.425
  526    HE   ARG  62           HE       ARG  62  -3.822   2.350 -10.927
  527   1HH1  ARG  62          2HH1      ARG  62  -2.171   0.229 -11.721
  528   2HH1  ARG  62          1HH1      ARG  62  -0.578   0.892 -11.864
  529   1HH2  ARG  62          1HH2      ARG  62  -1.290   3.708  -9.975
  530   2HH2  ARG  62          2HH2      ARG  62  -0.080   2.859 -10.877
  531    H    VAL  63           H        VAL  63  -5.586  -1.174  -5.602
  532    HA   VAL  63           HA       VAL  63  -5.158  -4.097  -5.256
  533    HB   VAL  63           HB       VAL  63  -6.430  -1.970  -3.687
  534   1HG1  VAL  63          3HG1      VAL  63  -8.506  -3.096  -4.449
  535   2HG1  VAL  63          2HG1      VAL  63  -7.868  -4.635  -3.873
  536   3HG1  VAL  63          1HG1      VAL  63  -8.227  -3.343  -2.724
  537   1HG2  VAL  63          2HG2      VAL  63  -4.937  -4.480  -3.355
  538   2HG2  VAL  63          1HG2      VAL  63  -4.874  -3.004  -2.393
  539   3HG2  VAL  63          3HG2      VAL  63  -6.139  -4.196  -2.098
  540    H    GLY  64           H        GLY  64  -6.167  -5.415  -6.684
  541   1HA   GLY  64          2HA       GLY  64  -8.747  -4.472  -7.877
  542   2HA   GLY  64          1HA       GLY  64  -7.549  -5.377  -8.806
   
  No H/Q in entry =         542
  Start of MODEL          19
 Raw file had  552 H/Q atoms
  Start of MODEL   19
    1   1H    MET   1          2H        MET   1 -14.071   4.635  -5.532
    2   2H    MET   1          1H        MET   1 -14.400   3.360  -6.604
    3   3H    MET   1          3H        MET   1 -15.385   3.596  -5.244
    4    HA   MET   1           HA       MET   1 -13.891   2.707  -3.794
    5   1HB   MET   1          2HB       MET   1 -12.919   1.348  -6.312
    6   2HB   MET   1          1HB       MET   1 -13.152   0.647  -4.710
    7   1HG   MET   1          2HG       MET   1 -15.592   1.002  -4.914
    8   2HG   MET   1          1HG       MET   1 -15.352   1.674  -6.527
    9   1HE   MET   1          1HE       MET   1 -14.302  -1.124  -4.240
   10   2HE   MET   1          3HE       MET   1 -14.142  -2.564  -5.255
   11   3HE   MET   1          2HE       MET   1 -12.954  -1.267  -5.365
   12    H    LYS   2           H        LYS   2 -11.934   3.089  -2.848
   13    HA   LYS   2           HA       LYS   2  -9.968   4.694  -4.338
   14   1HB   LYS   2          2HB       LYS   2 -10.746   4.440  -1.622
   15   2HB   LYS   2          1HB       LYS   2  -9.064   3.916  -1.716
   16   1HG   LYS   2          2HG       LYS   2 -10.134   6.513  -2.860
   17   2HG   LYS   2          1HG       LYS   2  -9.256   6.366  -1.336
   18   1HD   LYS   2          2HD       LYS   2  -7.337   5.365  -2.596
   19   2HD   LYS   2          1HD       LYS   2  -8.206   5.686  -4.098
   20   1HE   LYS   2          2HE       LYS   2  -6.922   7.612  -3.951
   21   2HE   LYS   2          1HE       LYS   2  -8.370   8.135  -3.088
   22   1HZ   LYS   2          2HZ       LYS   2  -6.360   6.766  -1.499
   23   2HZ   LYS   2          1HZ       LYS   2  -5.924   8.305  -2.073
   24   3HZ   LYS   2          3HZ       LYS   2  -7.312   8.120  -1.117
   25    H    THR   3           H        THR   3 -10.146   2.133  -5.424
   26    HA   THR   3           HA       THR   3  -7.949   0.529  -4.277
   27    HB   THR   3           HB       THR   3  -8.544  -1.121  -5.974
   28    HG1  THR   3           HG1      THR   3 -10.592   0.513  -6.927
   29   1HG2  THR   3          2HG2      THR   3 -10.928   0.192  -4.650
   30   2HG2  THR   3          1HG2      THR   3 -10.981  -1.396  -5.414
   31   3HG2  THR   3          3HG2      THR   3  -9.951  -1.128  -4.008
   32    H    GLU   4           H        GLU   4  -7.315   3.182  -5.364
   33    HA   GLU   4           HA       GLU   4  -5.386   2.297  -7.464
   34   1HB   GLU   4          2HB       GLU   4  -7.364   4.546  -7.581
   35   2HB   GLU   4          1HB       GLU   4  -5.776   4.800  -8.308
   36   1HG   GLU   4          2HG       GLU   4  -6.399   3.603 -10.109
   37   2HG   GLU   4          1HG       GLU   4  -6.710   2.202  -9.083
   38    H    TRP   5           H        TRP   5  -6.269   4.935  -5.231
   39    HA   TRP   5           HA       TRP   5  -4.876   6.312  -3.927
   40   1HB   TRP   5          2HB       TRP   5  -2.886   4.074  -4.405
   41   2HB   TRP   5          1HB       TRP   5  -2.758   5.326  -3.177
   42    HD1  TRP   5           HD1      TRP   5  -4.849   5.356  -1.334
   43    HE1  TRP   5           HE1      TRP   5  -6.018   3.336  -0.240
   44    HE3  TRP   5           HE3      TRP   5  -3.614   1.699  -4.690
   45    HZ2  TRP   5           HZ2      TRP   5  -6.369   0.538  -0.714
   46    HZ3  TRP   5           HZ3      TRP   5  -4.367  -0.633  -4.327
   47    HH2  TRP   5           HH2      TRP   5  -5.741  -1.215  -2.348
   48    HA   PRO   6           HA       PRO   6  -2.456   7.172  -7.906
   49   1HB   PRO   6          2HB       PRO   6  -4.159   8.971  -9.112
   50   2HB   PRO   6          1HB       PRO   6  -4.172   7.234  -9.469
   51   1HG   PRO   6          2HG       PRO   6  -6.086   8.827  -7.816
   52   2HG   PRO   6          1HG       PRO   6  -6.369   7.347  -8.749
   53   1HD   PRO   6          2HD       PRO   6  -6.037   7.463  -5.958
   54   2HD   PRO   6          1HD       PRO   6  -5.887   6.006  -6.954
   55    H    GLU   7           H        GLU   7  -4.495   9.014  -5.841
   56    HA   GLU   7           HA       GLU   7  -3.024  11.514  -5.983
   57   1HB   GLU   7          2HB       GLU   7  -5.331  10.523  -4.614
   58   2HB   GLU   7          1HB       GLU   7  -4.217  11.163  -3.404
   59   1HG   GLU   7          2HG       GLU   7  -4.615  12.797  -5.863
   60   2HG   GLU   7          1HG       GLU   7  -5.959  12.735  -4.723
   61    H    LEU   8           H        LEU   8  -2.372   8.442  -4.680
   62    HA   LEU   8           HA       LEU   8  -0.758   9.318  -2.427
   63   1HB   LEU   8          2HB       LEU   8  -1.845   6.899  -3.305
   64   2HB   LEU   8          1HB       LEU   8  -0.104   6.682  -3.472
   65    HG   LEU   8           HG       LEU   8   0.258   7.274  -1.157
   66   1HD1  LEU   8          2HD1      LEU   8  -2.546   8.235  -1.400
   67   2HD1  LEU   8          1HD1      LEU   8  -2.089   7.527   0.148
   68   3HD1  LEU   8          3HD1      LEU   8  -1.200   8.912  -0.484
   69   1HD2  LEU   8          1HD2      LEU   8  -1.323   5.058  -2.007
   70   2HD2  LEU   8          3HD2      LEU   8  -0.259   5.153  -0.603
   71   3HD2  LEU   8          2HD2      LEU   8  -1.960   5.596  -0.453
   72    H    VAL   9           H        VAL   9  -0.303   9.491  -5.731
   73    HA   VAL   9           HA       VAL   9   2.329   8.602  -6.137
   74    HB   VAL   9           HB       VAL   9   0.846  10.989  -7.266
   75   1HG1  VAL   9          3HG1      VAL   9   3.364  11.393  -7.184
   76   2HG1  VAL   9          2HG1      VAL   9   3.542   9.969  -8.215
   77   3HG1  VAL   9          1HG1      VAL   9   2.662  11.378  -8.807
   78   1HG2  VAL   9          3HG2      VAL   9   1.275   8.155  -7.967
   79   2HG2  VAL   9          2HG2      VAL   9  -0.038   9.239  -8.421
   80   3HG2  VAL   9          1HG2      VAL   9   1.483   9.274  -9.311
   81    H    GLY  10           H        GLY  10   4.363   9.681  -5.963
   82   1HA   GLY  10          2HA       GLY  10   5.933  10.834  -4.650
   83   2HA   GLY  10          1HA       GLY  10   4.905  12.217  -5.034
   84    H    LYS  11           H        LYS  11   3.539   9.577  -3.197
   85    HA   LYS  11           HA       LYS  11   3.396  11.408  -0.856
   86   1HB   LYS  11          2HB       LYS  11   1.354  10.162  -1.982
   87   2HB   LYS  11          1HB       LYS  11   1.905   8.810  -0.990
   88   1HG   LYS  11          2HG       LYS  11   0.674   9.761   0.663
   89   2HG   LYS  11          1HG       LYS  11   1.998  10.921   0.784
   90   1HD   LYS  11          2HD       LYS  11   0.789  12.226  -1.083
   91   2HD   LYS  11          1HD       LYS  11  -0.605  11.209  -0.717
   92   1HE   LYS  11          2HE       LYS  11   0.703  12.404   1.646
   93   2HE   LYS  11          1HE       LYS  11  -0.059  13.563   0.558
   94   1HZ   LYS  11          3HZ       LYS  11  -1.927  11.673   0.667
   95   2HZ   LYS  11          2HZ       LYS  11  -1.259  11.510   2.220
   96   3HZ   LYS  11          1HZ       LYS  11  -1.887  13.006   1.715
   97    H    SER  12           H        SER  12   2.784   8.769   0.726
   98    HA   SER  12           HA       SER  12   5.513   7.641   0.837
   99   1HB   SER  12          2HB       SER  12   4.654   9.704   2.592
  100   2HB   SER  12          1HB       SER  12   4.755   8.216   3.532
  101    HG   SER  12           HG       SER  12   6.758   9.399   3.364
  102    H    VAL  13           H        VAL  13   5.631   5.680   2.074
  103    HA   VAL  13           HA       VAL  13   3.460   3.924   1.820
  104    HB   VAL  13           HB       VAL  13   5.800   3.882   3.738
  105   1HG1  VAL  13          3HG1      VAL  13   3.515   1.979   3.346
  106   2HG1  VAL  13          2HG1      VAL  13   5.115   1.330   3.701
  107   3HG1  VAL  13          1HG1      VAL  13   4.342   2.437   4.835
  108   1HG2  VAL  13          1HG2      VAL  13   5.248   2.970   0.966
  109   2HG2  VAL  13          3HG2      VAL  13   6.773   3.462   1.707
  110   3HG2  VAL  13          2HG2      VAL  13   6.141   1.840   1.984
  111    H    GLU  14           H        GLU  14   4.229   6.204   4.369
  112    HA   GLU  14           HA       GLU  14   2.668   5.297   6.504
  113   1HB   GLU  14          2HB       GLU  14   3.240   8.068   5.459
  114   2HB   GLU  14          1HB       GLU  14   2.201   7.835   6.866
  115   1HG   GLU  14          2HG       GLU  14   4.240   6.237   7.587
  116   2HG   GLU  14          1HG       GLU  14   5.129   7.376   6.575
  117    H    GLU  15           H        GLU  15   1.401   7.844   4.334
  118    HA   GLU  15           HA       GLU  15  -1.337   7.324   4.921
  119   1HB   GLU  15          2HB       GLU  15   0.062   9.146   3.351
  120   2HB   GLU  15          1HB       GLU  15  -0.862   8.213   2.170
  121   1HG   GLU  15          2HG       GLU  15  -2.470   9.768   2.731
  122   2HG   GLU  15          1HG       GLU  15  -2.803   8.564   3.978
  123    H    ALA  16           H        ALA  16   0.908   5.798   2.699
  124    HA   ALA  16           HA       ALA  16  -0.988   4.464   1.044
  125   1HB   ALA  16          1HB       ALA  16   1.460   4.581   0.580
  126   2HB   ALA  16          3HB       ALA  16   1.733   3.457   1.907
  127   3HB   ALA  16          2HB       ALA  16   0.835   2.935   0.487
  128    H    LYS  17           H        LYS  17   0.983   2.447   3.209
  129    HA   LYS  17           HA       LYS  17  -0.920   0.436   3.551
  130   1HB   LYS  17          2HB       LYS  17   1.558   0.737   4.490
  131   2HB   LYS  17          1HB       LYS  17   0.690   1.214   5.950
  132   1HG   LYS  17          2HG       LYS  17   0.056  -1.328   4.442
  133   2HG   LYS  17          1HG       LYS  17   1.234  -1.271   5.752
  134   1HD   LYS  17          2HD       LYS  17  -1.141   0.082   6.611
  135   2HD   LYS  17          1HD       LYS  17  -1.598  -1.493   5.960
  136   1HE   LYS  17          2HE       LYS  17  -0.750  -2.546   7.759
  137   2HE   LYS  17          1HE       LYS  17   0.799  -1.725   7.564
  138   1HZ   LYS  17          1HZ       LYS  17  -0.228   0.236   8.644
  139   2HZ   LYS  17          3HZ       LYS  17  -1.603  -0.701   8.972
  140   3HZ   LYS  17          2HZ       LYS  17  -0.107  -1.118   9.664
  141    H    LYS  18           H        LYS  18  -0.631   3.493   5.225
  142    HA   LYS  18           HA       LYS  18  -2.352   3.214   7.387
  143   1HB   LYS  18          2HB       LYS  18  -1.153   5.271   7.045
  144   2HB   LYS  18          1HB       LYS  18  -1.960   5.548   5.498
  145   1HG   LYS  18          2HG       LYS  18  -3.685   6.563   6.529
  146   2HG   LYS  18          1HG       LYS  18  -3.924   5.170   7.584
  147   1HD   LYS  18          2HD       LYS  18  -1.630   7.011   8.147
  148   2HD   LYS  18          1HD       LYS  18  -3.254   7.526   8.600
  149   1HE   LYS  18          2HE       LYS  18  -3.488   5.869  10.189
  150   2HE   LYS  18          1HE       LYS  18  -2.438   4.747   9.325
  151   1HZ   LYS  18          2HZ       LYS  18  -1.134   7.153  10.249
  152   2HZ   LYS  18          1HZ       LYS  18  -1.707   6.146  11.492
  153   3HZ   LYS  18          3HZ       LYS  18  -0.622   5.537  10.339
  154    H    VAL  19           H        VAL  19  -3.550   4.955   4.551
  155    HA   VAL  19           HA       VAL  19  -6.292   4.190   5.137
  156    HB   VAL  19           HB       VAL  19  -5.600   5.242   2.430
  157   1HG1  VAL  19          1HG1      VAL  19  -7.796   5.232   4.307
  158   2HG1  VAL  19          3HG1      VAL  19  -7.391   6.891   3.867
  159   3HG1  VAL  19          2HG1      VAL  19  -7.791   5.719   2.612
  160   1HG2  VAL  19          3HG2      VAL  19  -4.741   6.511   4.991
  161   2HG2  VAL  19          2HG2      VAL  19  -4.050   6.671   3.378
  162   3HG2  VAL  19          1HG2      VAL  19  -5.509   7.567   3.807
  163    H    ILE  20           H        ILE  20  -3.970   3.261   2.608
  164    HA   ILE  20           HA       ILE  20  -5.434   1.639   0.950
  165    HB   ILE  20           HB       ILE  20  -2.736   1.060   2.205
  166   1HG1  ILE  20          2HG1      ILE  20  -3.385   1.884  -0.628
  167   2HG1  ILE  20          1HG1      ILE  20  -3.126   3.074   0.646
  168   1HG2  ILE  20          3HG2      ILE  20  -4.457  -0.625   0.551
  169   2HG2  ILE  20          2HG2      ILE  20  -2.896  -0.319  -0.211
  170   3HG2  ILE  20          1HG2      ILE  20  -2.966  -1.039   1.398
  171   1HD1  ILE  20          1HD1      ILE  20  -0.967   1.472   1.028
  172   2HD1  ILE  20          3HD1      ILE  20  -1.185   1.296  -0.712
  173   3HD1  ILE  20          2HD1      ILE  20  -0.948   2.896  -0.011
  174    H    LEU  21           H        LEU  21  -4.079   0.550   4.085
  175    HA   LEU  21           HA       LEU  21  -4.957  -2.035   4.263
  176   1HB   LEU  21          2HB       LEU  21  -3.844  -0.973   6.138
  177   2HB   LEU  21          1HB       LEU  21  -5.225   0.097   6.398
  178    HG   LEU  21           HG       LEU  21  -6.175  -2.604   6.352
  179   1HD1  LEU  21          2HD1      LEU  21  -3.530  -2.293   7.512
  180   2HD1  LEU  21          1HD1      LEU  21  -4.704  -2.778   8.736
  181   3HD1  LEU  21          3HD1      LEU  21  -4.483  -3.761   7.289
  182   1HD2  LEU  21          1HD2      LEU  21  -7.208  -0.653   7.492
  183   2HD2  LEU  21          3HD2      LEU  21  -6.955  -1.999   8.604
  184   3HD2  LEU  21          2HD2      LEU  21  -5.858  -0.619   8.627
  185    H    GLN  22           H        GLN  22  -7.065   0.783   4.947
  186    HA   GLN  22           HA       GLN  22  -9.362  -0.995   4.273
  187   1HB   GLN  22          2HB       GLN  22  -8.747   0.189   6.833
  188   2HB   GLN  22          1HB       GLN  22 -10.271   0.830   6.221
  189   1HG   GLN  22          2HG       GLN  22 -11.156  -1.413   5.896
  190   2HG   GLN  22          1HG       GLN  22  -9.605  -2.132   6.331
  191   1HE2  GLN  22          2HE2      GLN  22 -10.765  -2.357   9.655
  192   2HE2  GLN  22          1HE2      GLN  22 -10.119  -3.162   8.306
  193    H    ASP  23           H        ASP  23  -8.230   0.846   2.454
  194    HA   ASP  23           HA       ASP  23  -9.540   3.413   2.559
  195   1HB   ASP  23          2HB       ASP  23  -7.610   2.336   0.943
  196   2HB   ASP  23          1HB       ASP  23  -9.012   2.300  -0.126
  197    H    LYS  24           H        LYS  24 -10.385   0.284   1.121
  198    HA   LYS  24           HA       LYS  24 -13.119   1.387   0.719
  199   1HB   LYS  24          2HB       LYS  24 -13.195  -0.589  -1.060
  200   2HB   LYS  24          1HB       LYS  24 -12.561   0.992  -1.461
  201   1HG   LYS  24          2HG       LYS  24 -10.578  -0.855  -0.282
  202   2HG   LYS  24          1HG       LYS  24 -11.175  -1.319  -1.873
  203   1HD   LYS  24          2HD       LYS  24 -10.168   0.452  -2.900
  204   2HD   LYS  24          1HD       LYS  24 -10.475   1.543  -1.550
  205   1HE   LYS  24          2HE       LYS  24  -8.099   1.202  -1.629
  206   2HE   LYS  24          1HE       LYS  24  -8.699   0.263  -0.261
  207   1HZ   LYS  24          1HZ       LYS  24  -8.895  -1.588  -2.064
  208   2HZ   LYS  24          3HZ       LYS  24  -7.721  -0.664  -2.866
  209   3HZ   LYS  24          2HZ       LYS  24  -7.404  -1.274  -1.313
  210    HA   PRO  25           HA       PRO  25 -14.310  -2.518   2.802
  211   1HB   PRO  25          2HB       PRO  25 -13.386  -4.992   2.065
  212   2HB   PRO  25          1HB       PRO  25 -14.720  -4.177   1.230
  213   1HG   PRO  25          2HG       PRO  25 -11.922  -4.595   0.324
  214   2HG   PRO  25          1HG       PRO  25 -13.384  -4.322  -0.635
  215   1HD   PRO  25          2HD       PRO  25 -11.382  -2.410  -0.020
  216   2HD   PRO  25          1HD       PRO  25 -12.949  -2.106  -0.787
  217    H    GLU  26           H        GLU  26 -11.298  -4.222   2.023
  218    HA   GLU  26           HA       GLU  26  -9.859  -3.210   4.348
  219   1HB   GLU  26          2HB       GLU  26 -10.415  -6.177   4.358
  220   2HB   GLU  26          1HB       GLU  26  -9.775  -5.168   5.655
  221   1HG   GLU  26          2HG       GLU  26 -11.956  -4.040   5.865
  222   2HG   GLU  26          1HG       GLU  26 -12.600  -5.039   4.559
  223    H    ALA  27           H        ALA  27  -8.998  -2.959   1.839
  224    HA   ALA  27           HA       ALA  27  -7.413  -5.315   1.089
  225   1HB   ALA  27          2HB       ALA  27  -8.214  -2.770  -0.182
  226   2HB   ALA  27          1HB       ALA  27  -6.602  -3.339  -0.610
  227   3HB   ALA  27          3HB       ALA  27  -8.005  -4.368  -0.902
  228    H    GLN  28           H        GLN  28  -5.433  -5.628   1.979
  229    HA   GLN  28           HA       GLN  28  -4.074  -3.373   3.314
  230   1HB   GLN  28          2HB       GLN  28  -3.011  -6.187   3.072
  231   2HB   GLN  28          1HB       GLN  28  -2.707  -5.003   4.344
  232   1HG   GLN  28          2HG       GLN  28  -5.297  -5.141   4.732
  233   2HG   GLN  28          1HG       GLN  28  -5.158  -6.679   3.879
  234   1HE2  GLN  28          2HE2      GLN  28  -4.442  -6.878   7.687
  235   2HE2  GLN  28          1HE2      GLN  28  -5.583  -5.914   6.879
  236    H    ILE  29           H        ILE  29  -1.474  -3.631   2.963
  237    HA   ILE  29           HA       ILE  29  -0.926  -4.035   0.087
  238    HB   ILE  29           HB       ILE  29  -1.562  -1.670   0.260
  239   1HG1  ILE  29          2HG1      ILE  29   1.403  -1.536   0.030
  240   2HG1  ILE  29          1HG1      ILE  29   0.575  -2.694  -1.014
  241   1HG2  ILE  29          2HG2      ILE  29  -0.622  -1.696   2.756
  242   2HG2  ILE  29          1HG2      ILE  29   0.835  -1.108   1.957
  243   3HG2  ILE  29          3HG2      ILE  29  -0.673  -0.206   1.814
  244   1HD1  ILE  29          2HD1      ILE  29  -1.038  -0.566  -1.375
  245   2HD1  ILE  29          1HD1      ILE  29   0.471   0.280  -1.026
  246   3HD1  ILE  29          3HD1      ILE  29   0.388  -0.857  -2.370
  247    H    ILE  30           H        ILE  30   0.978  -5.036  -0.157
  248    HA   ILE  30           HA       ILE  30   2.788  -5.354   2.147
  249    HB   ILE  30           HB       ILE  30   2.567  -6.584  -0.602
  250   1HG1  ILE  30          2HG1      ILE  30   2.702  -7.936   2.097
  251   2HG1  ILE  30          1HG1      ILE  30   1.182  -7.336   1.434
  252   1HG2  ILE  30          2HG2      ILE  30   4.920  -6.471   1.204
  253   2HG2  ILE  30          1HG2      ILE  30   4.533  -8.046   0.506
  254   3HG2  ILE  30          3HG2      ILE  30   4.846  -6.668  -0.548
  255   1HD1  ILE  30          3HD1      ILE  30   2.164  -8.699  -0.714
  256   2HD1  ILE  30          2HD1      ILE  30   2.809  -9.668   0.612
  257   3HD1  ILE  30          1HD1      ILE  30   1.071  -9.404   0.476
  258    H    VAL  31           H        VAL  31   4.250  -3.688   2.391
  259    HA   VAL  31           HA       VAL  31   5.145  -2.220  -0.001
  260    HB   VAL  31           HB       VAL  31   4.600  -0.900   1.979
  261   1HG1  VAL  31          1HG1      VAL  31   6.740  -2.585   3.314
  262   2HG1  VAL  31          3HG1      VAL  31   6.000  -1.156   4.035
  263   3HG1  VAL  31          2HG1      VAL  31   5.019  -2.582   3.697
  264   1HG2  VAL  31          3HG2      VAL  31   7.532  -1.068   1.256
  265   2HG2  VAL  31          2HG2      VAL  31   6.335   0.084   0.667
  266   3HG2  VAL  31          1HG2      VAL  31   6.903   0.178   2.333
  267    H    LEU  32           H        LEU  32   7.302  -2.131  -0.703
  268    HA   LEU  32           HA       LEU  32   9.323  -3.783   0.680
  269   1HB   LEU  32          2HB       LEU  32   9.801  -5.131  -1.311
  270   2HB   LEU  32          1HB       LEU  32   8.135  -5.378  -0.810
  271    HG   LEU  32           HG       LEU  32   8.318  -3.153  -2.636
  272   1HD1  LEU  32          1HD1      LEU  32  10.281  -5.067  -3.121
  273   2HD1  LEU  32          3HD1      LEU  32   8.957  -5.566  -4.173
  274   3HD1  LEU  32          2HD1      LEU  32   9.630  -3.942  -4.312
  275   1HD2  LEU  32          1HD2      LEU  32   6.519  -5.094  -1.941
  276   2HD2  LEU  32          3HD2      LEU  32   6.386  -4.121  -3.404
  277   3HD2  LEU  32          2HD2      LEU  32   7.110  -5.727  -3.476
  278    HA   PRO  33           HA       PRO  33  12.002  -0.761  -0.968
  279   1HB   PRO  33          2HB       PRO  33  14.339  -2.193  -1.103
  280   2HB   PRO  33          1HB       PRO  33  13.615  -1.635   0.414
  281   1HG   PRO  33          2HG       PRO  33  13.688  -4.387  -0.728
  282   2HG   PRO  33          1HG       PRO  33  13.579  -3.876   0.966
  283   1HD   PRO  33          2HD       PRO  33  11.436  -4.788  -0.634
  284   2HD   PRO  33          1HD       PRO  33  11.291  -3.977   0.939
  285    H    VAL  34           H        VAL  34  10.493  -2.245  -3.068
  286    HA   VAL  34           HA       VAL  34  10.526  -2.272  -5.412
  287    HB   VAL  34           HB       VAL  34  13.403  -1.336  -5.270
  288   1HG1  VAL  34          1HG1      VAL  34  11.241  -1.486  -7.309
  289   2HG1  VAL  34          3HG1      VAL  34  12.263  -0.050  -7.340
  290   3HG1  VAL  34          2HG1      VAL  34  12.986  -1.650  -7.506
  291   1HG2  VAL  34          1HG2      VAL  34  11.659  -0.011  -3.842
  292   2HG2  VAL  34          3HG2      VAL  34  12.703   0.881  -4.950
  293   3HG2  VAL  34          2HG2      VAL  34  11.038   0.519  -5.406
  294    H    GLY  35           H        GLY  35  13.989  -3.000  -4.862
  295   1HA   GLY  35          2HA       GLY  35  15.201  -4.959  -5.284
  296   2HA   GLY  35          1HA       GLY  35  13.730  -5.836  -4.860
  297    H    THR  36           H        THR  36  15.282  -6.844  -6.897
  298    HA   THR  36           HA       THR  36  14.169  -5.884  -9.459
  299    HB   THR  36           HB       THR  36  16.449  -6.522  -9.641
  300    HG1  THR  36           HG1      THR  36  16.329  -8.170 -11.090
  301   1HG2  THR  36          2HG2      THR  36  15.611  -8.884  -7.963
  302   2HG2  THR  36          1HG2      THR  36  17.120  -8.891  -8.873
  303   3HG2  THR  36          3HG2      THR  36  16.853  -7.681  -7.618
  304    H    ILE  37           H        ILE  37  12.256  -6.898  -7.598
  305    HA   ILE  37           HA       ILE  37  10.401  -8.316  -7.601
  306    HB   ILE  37           HB       ILE  37  11.185  -8.050 -10.316
  307   1HG1  ILE  37          2HG1      ILE  37   8.730  -8.848 -10.609
  308   2HG1  ILE  37          1HG1      ILE  37   8.707  -8.919  -8.846
  309   1HG2  ILE  37          3HG2      ILE  37  11.945 -10.423 -10.221
  310   2HG2  ILE  37          2HG2      ILE  37  10.328 -10.894  -9.697
  311   3HG2  ILE  37          1HG2      ILE  37  10.567 -10.200 -11.300
  312   1HD1  ILE  37          2HD1      ILE  37   9.860  -6.446  -9.991
  313   2HD1  ILE  37          1HD1      ILE  37   8.133  -6.670 -10.269
  314   3HD1  ILE  37          3HD1      ILE  37   8.765  -6.650  -8.623
  315    H    VAL  38           H        VAL  38   9.988 -10.436  -6.867
  316    HA   VAL  38           HA       VAL  38  12.261 -11.921  -5.935
  317    HB   VAL  38           HB       VAL  38   9.441 -12.978  -6.233
  318   1HG1  VAL  38          2HG1      VAL  38  11.876 -13.982  -5.112
  319   2HG1  VAL  38          1HG1      VAL  38  10.743 -13.677  -3.795
  320   3HG1  VAL  38          3HG1      VAL  38  10.284 -14.742  -5.124
  321   1HG2  VAL  38          1HG2      VAL  38  10.149 -10.624  -4.938
  322   2HG2  VAL  38          3HG2      VAL  38   8.712 -11.589  -4.598
  323   3HG2  VAL  38          2HG2      VAL  38  10.179 -11.823  -3.645
  324    H    THR  39           H        THR  39  13.299 -13.690  -6.824
  325    HA   THR  39           HA       THR  39  12.128 -15.099  -9.124
  326    HB   THR  39           HB       THR  39  13.123 -13.308 -10.354
  327    HG1  THR  39           HG1      THR  39  13.850 -15.686 -10.681
  328   1HG2  THR  39          1HG2      THR  39  14.468 -12.396  -8.485
  329   2HG2  THR  39          3HG2      THR  39  15.605 -13.732  -8.664
  330   3HG2  THR  39          2HG2      THR  39  15.426 -12.548  -9.959
  331   1H    GLU  41          1H        GLU  41  -8.959  -9.350  -9.100
  332   2H    GLU  41          3H        GLU  41  -7.885 -10.663  -9.154
  333   3H    GLU  41          2H        GLU  41  -8.398  -9.927 -10.596
  334    HA   GLU  41           HA       GLU  41 -10.241 -11.132 -10.693
  335   1HB   GLU  41          2HB       GLU  41  -8.527 -12.499  -8.676
  336   2HB   GLU  41          1HB       GLU  41 -10.171 -13.100  -8.894
  337   1HG   GLU  41          2HG       GLU  41  -9.004 -14.343 -10.490
  338   2HG   GLU  41          1HG       GLU  41  -9.581 -12.981 -11.450
  339    H    TYR  42           H        TYR  42  -9.597 -10.656  -7.259
  340    HA   TYR  42           HA       TYR  42 -12.434  -9.792  -6.929
  341   1HB   TYR  42          2HB       TYR  42 -12.577 -10.999  -4.829
  342   2HB   TYR  42          1HB       TYR  42 -12.053 -12.130  -6.077
  343    HD1  TYR  42           HD1      TYR  42  -9.439 -12.310  -6.412
  344    HD2  TYR  42           HD2      TYR  42 -11.346 -10.872  -2.845
  345    HE1  TYR  42           HE1      TYR  42  -7.389 -12.801  -5.121
  346    HE2  TYR  42           HE2      TYR  42  -9.294 -11.363  -1.550
  347    HH   TYR  42           HH       TYR  42  -7.118 -13.292  -2.216
  348    H    ARG  43           H        ARG  43 -11.978  -9.379  -4.042
  349    HA   ARG  43           HA       ARG  43 -10.515  -6.816  -4.288
  350   1HB   ARG  43          2HB       ARG  43 -11.605  -6.141  -2.290
  351   2HB   ARG  43          1HB       ARG  43 -12.825  -7.050  -3.179
  352   1HG   ARG  43          2HG       ARG  43 -11.814  -9.091  -1.802
  353   2HG   ARG  43          1HG       ARG  43 -11.333  -7.804  -0.692
  354   1HD   ARG  43          2HD       ARG  43 -13.437  -7.635   0.080
  355   2HD   ARG  43          1HD       ARG  43 -14.043  -7.349  -1.551
  356    HE   ARG  43           HE       ARG  43 -14.880  -9.538  -1.459
  357   1HH1  ARG  43          2HH1      ARG  43 -13.071 -11.426  -1.895
  358   2HH1  ARG  43          1HH1      ARG  43 -12.592 -12.118  -0.381
  359   1HH2  ARG  43          1HH2      ARG  43 -13.812  -9.476   1.510
  360   2HH2  ARG  43          2HH2      ARG  43 -13.014 -11.013   1.551
  361    H    ILE  44           H        ILE  44  -8.669  -8.787  -4.473
  362    HA   ILE  44           HA       ILE  44  -7.603 -10.023  -2.231
  363    HB   ILE  44           HB       ILE  44  -6.441 -10.220  -4.349
  364   1HG1  ILE  44          2HG1      ILE  44  -4.276  -8.757  -3.074
  365   2HG1  ILE  44          1HG1      ILE  44  -5.202  -9.672  -1.880
  366   1HG2  ILE  44          1HG2      ILE  44  -7.013  -7.787  -4.981
  367   2HG2  ILE  44          3HG2      ILE  44  -5.572  -7.338  -4.070
  368   3HG2  ILE  44          2HG2      ILE  44  -5.432  -8.385  -5.482
  369   1HD1  ILE  44          3HD1      ILE  44  -4.408 -10.988  -4.464
  370   2HD1  ILE  44          2HD1      ILE  44  -3.226 -10.844  -3.163
  371   3HD1  ILE  44          1HD1      ILE  44  -4.731 -11.724  -2.894
  372    H    ASP  45           H        ASP  45  -6.339  -9.333  -0.445
  373    HA   ASP  45           HA       ASP  45  -6.556  -6.414   0.035
  374   1HB   ASP  45          2HB       ASP  45  -6.784  -6.876   2.322
  375   2HB   ASP  45          1HB       ASP  45  -7.631  -8.220   1.553
  376    H    ARG  46           H        ARG  46  -4.441  -7.109  -1.581
  377    HA   ARG  46           HA       ARG  46  -2.207  -6.257   0.127
  378   1HB   ARG  46          2HB       ARG  46  -0.887  -8.116  -0.034
  379   2HB   ARG  46          1HB       ARG  46  -2.427  -8.939  -0.234
  380   1HG   ARG  46          2HG       ARG  46  -2.184  -8.993  -2.626
  381   2HG   ARG  46          1HG       ARG  46  -0.798  -7.900  -2.572
  382   1HD   ARG  46          2HD       ARG  46  -0.043 -10.220  -2.871
  383   2HD   ARG  46          1HD       ARG  46   0.488  -9.594  -1.307
  384    HE   ARG  46           HE       ARG  46  -1.997 -10.856  -0.867
  385   1HH1  ARG  46          1HH2      ARG  46   1.331 -11.405  -0.911
  386   2HH1  ARG  46          2HH2      ARG  46   1.215 -13.129  -0.806
  387   1HH2  ARG  46          2HH1      ARG  46  -2.228 -13.191  -1.200
  388   2HH2  ARG  46          1HH1      ARG  46  -0.799 -14.141  -0.968
  389    H    VAL  47           H        VAL  47  -0.490  -5.318  -1.120
  390    HA   VAL  47           HA       VAL  47  -0.827  -5.086  -4.034
  391    HB   VAL  47           HB       VAL  47  -0.851  -2.621  -2.270
  392   1HG1  VAL  47          3HG1      VAL  47  -0.860  -3.154  -5.234
  393   2HG1  VAL  47          2HG1      VAL  47  -1.575  -1.677  -4.589
  394   3HG1  VAL  47          1HG1      VAL  47   0.134  -2.020  -4.318
  395   1HG2  VAL  47          3HG2      VAL  47  -3.074  -3.927  -3.871
  396   2HG2  VAL  47          2HG2      VAL  47  -2.973  -3.868  -2.111
  397   3HG2  VAL  47          1HG2      VAL  47  -3.191  -2.380  -3.034
  398    H    ARG  48           H        ARG  48   1.096  -3.964  -5.011
  399    HA   ARG  48           HA       ARG  48   3.505  -4.588  -3.401
  400   1HB   ARG  48          2HB       ARG  48   2.866  -4.796  -6.149
  401   2HB   ARG  48          1HB       ARG  48   4.103  -3.539  -6.023
  402   1HG   ARG  48          2HG       ARG  48   5.042  -5.857  -6.285
  403   2HG   ARG  48          1HG       ARG  48   5.585  -5.031  -4.827
  404   1HD   ARG  48          2HD       ARG  48   4.806  -7.482  -4.583
  405   2HD   ARG  48          1HD       ARG  48   4.162  -6.311  -3.432
  406    HE   ARG  48           HE       ARG  48   2.123  -6.229  -5.000
  407   1HH1  ARG  48          1HH2      ARG  48   3.735  -8.315  -6.741
  408   2HH1  ARG  48          2HH2      ARG  48   2.806  -9.737  -6.401
  409   1HH2  ARG  48          2HH1      ARG  48   1.146  -8.326  -3.701
  410   2HH2  ARG  48          1HH1      ARG  48   1.342  -9.744  -4.676
  411    H    LEU  49           H        LEU  49   3.334  -2.710  -1.958
  412    HA   LEU  49           HA       LEU  49   3.483  -0.055  -3.175
  413   1HB   LEU  49          2HB       LEU  49   2.382  -0.230  -1.016
  414   2HB   LEU  49          1HB       LEU  49   3.823  -0.951  -0.300
  415    HG   LEU  49           HG       LEU  49   5.018   1.061  -0.343
  416   1HD1  LEU  49          3HD1      LEU  49   3.058   1.974  -2.472
  417   2HD1  LEU  49          2HD1      LEU  49   4.254   3.038  -1.733
  418   3HD1  LEU  49          1HD1      LEU  49   4.779   1.645  -2.682
  419   1HD2  LEU  49          2HD2      LEU  49   2.271   1.181   0.531
  420   2HD2  LEU  49          1HD2      LEU  49   3.686   1.963   1.234
  421   3HD2  LEU  49          3HD2      LEU  49   2.779   2.769  -0.046
  422    H    PHE  50           H        PHE  50   5.361  -0.389  -4.483
  423    HA   PHE  50           HA       PHE  50   7.947  -1.086  -3.415
  424   1HB   PHE  50          2HB       PHE  50   6.867   0.204  -5.895
  425   2HB   PHE  50          1HB       PHE  50   8.596   0.361  -5.571
  426    HD1  PHE  50           HD2      PHE  50   7.185  -2.646  -4.180
  427    HD2  PHE  50           HD1      PHE  50   8.728  -0.916  -7.796
  428    HE1  PHE  50           HE2      PHE  50   7.485  -4.908  -5.148
  429    HE2  PHE  50           HE1      PHE  50   9.032  -3.176  -8.753
  430    HZ   PHE  50           HZ       PHE  50   8.410  -5.176  -7.428
  431    H    VAL  51           H        VAL  51   9.575   1.099  -4.222
  432    HA   VAL  51           HA       VAL  51   8.555   3.497  -2.828
  433    HB   VAL  51           HB       VAL  51  10.705   3.584  -1.448
  434   1HG1  VAL  51          2HG1      VAL  51   8.273   2.637  -0.805
  435   2HG1  VAL  51          1HG1      VAL  51   9.209   1.161  -0.568
  436   3HG1  VAL  51          3HG1      VAL  51   9.619   2.619   0.339
  437   1HG2  VAL  51          3HG2      VAL  51  11.755   1.738  -2.895
  438   2HG2  VAL  51          2HG2      VAL  51  11.980   1.594  -1.151
  439   3HG2  VAL  51          1HG2      VAL  51  10.769   0.606  -1.970
  440    H    ASP  52           H        ASP  52  10.064   5.371  -3.203
  441    HA   ASP  52           HA       ASP  52  11.665   4.898  -5.680
  442   1HB   ASP  52          2HB       ASP  52  10.469   6.565  -6.612
  443   2HB   ASP  52          1HB       ASP  52   9.564   6.764  -5.114
  444    H    LYS  53           H        LYS  53  11.620   7.467  -3.160
  445    HA   LYS  53           HA       LYS  53  14.585   7.405  -3.152
  446   1HB   LYS  53          2HB       LYS  53  12.598   9.242  -1.776
  447   2HB   LYS  53          1HB       LYS  53  14.348   9.429  -1.712
  448   1HG   LYS  53          2HG       LYS  53  12.527   9.693  -4.110
  449   2HG   LYS  53          1HG       LYS  53  13.630  10.896  -3.443
  450   1HD   LYS  53          2HD       LYS  53  14.439   8.295  -4.779
  451   2HD   LYS  53          1HD       LYS  53  14.578   9.906  -5.483
  452   1HE   LYS  53          2HE       LYS  53  16.404  10.449  -4.221
  453   2HE   LYS  53          1HE       LYS  53  15.822   9.564  -2.813
  454   1HZ   LYS  53          1HZ       LYS  53  16.941   8.320  -5.263
  455   2HZ   LYS  53          3HZ       LYS  53  17.785   8.536  -3.809
  456   3HZ   LYS  53          2HZ       LYS  53  16.438   7.501  -3.862
  457    H    LEU  54           H        LEU  54  12.289   7.909  -0.511
  458    HA   LEU  54           HA       LEU  54  13.429   5.577   0.951
  459   1HB   LEU  54          2HB       LEU  54  13.684   8.416   1.638
  460   2HB   LEU  54          1HB       LEU  54  12.928   7.476   2.924
  461    HG   LEU  54           HG       LEU  54  14.998   5.834   2.106
  462   1HD1  LEU  54          3HD1      LEU  54  15.678   8.702   1.641
  463   2HD1  LEU  54          2HD1      LEU  54  16.898   7.702   2.430
  464   3HD1  LEU  54          1HD1      LEU  54  16.291   7.258   0.835
  465   1HD2  LEU  54          3HD2      LEU  54  14.282   7.511   4.383
  466   2HD2  LEU  54          2HD2      LEU  54  15.028   5.913   4.366
  467   3HD2  LEU  54          1HD2      LEU  54  16.030   7.356   4.213
  468    H    ASP  55           H        ASP  55  11.150   5.249  -0.280
  469    HA   ASP  55           HA       ASP  55   9.025   4.373   0.301
  470   1HB   ASP  55          2HB       ASP  55   8.186   4.480   2.427
  471   2HB   ASP  55          1HB       ASP  55   9.854   4.903   2.798
  472    H    ASN  56           H        ASN  56   9.928   6.805  -1.175
  473    HA   ASN  56           HA       ASN  56   7.586   8.603  -0.961
  474   1HB   ASN  56          2HB       ASN  56   9.808   9.605  -1.375
  475   2HB   ASN  56          1HB       ASN  56   9.971   8.637  -2.844
  476   1HD2  ASN  56          2HD2      ASN  56   8.520  12.108  -3.545
  477   2HD2  ASN  56          1HD2      ASN  56   9.835  11.634  -2.583
  478    H    ILE  57           H        ILE  57   5.990   7.097  -1.544
  479    HA   ILE  57           HA       ILE  57   5.814   5.269  -3.532
  480    HB   ILE  57           HB       ILE  57   3.607   7.308  -3.342
  481   1HG1  ILE  57          2HG1      ILE  57   4.449   5.227  -1.299
  482   2HG1  ILE  57          1HG1      ILE  57   4.235   6.958  -1.039
  483   1HG2  ILE  57          2HG2      ILE  57   3.995   4.631  -4.381
  484   2HG2  ILE  57          1HG2      ILE  57   2.705   4.645  -3.180
  485   3HG2  ILE  57          3HG2      ILE  57   2.615   5.713  -4.582
  486   1HD1  ILE  57          2HD1      ILE  57   1.786   6.492  -1.872
  487   2HD1  ILE  57          1HD1      ILE  57   2.149   4.833  -1.400
  488   3HD1  ILE  57          3HD1      ILE  57   2.228   6.126  -0.203
  489    H    ALA  58           H        ALA  58   7.198   5.768  -5.274
  490    HA   ALA  58           HA       ALA  58   6.501   8.057  -7.016
  491   1HB   ALA  58          1HB       ALA  58   8.686   5.977  -7.013
  492   2HB   ALA  58          3HB       ALA  58   8.363   6.926  -8.464
  493   3HB   ALA  58          2HB       ALA  58   8.837   7.734  -6.969
  494    H    GLN  59           H        GLN  59   5.775   4.740  -6.603
  495    HA   GLN  59           HA       GLN  59   4.373   4.702  -9.242
  496   1HB   GLN  59          2HB       GLN  59   5.832   2.433  -7.849
  497   2HB   GLN  59          1HB       GLN  59   4.772   2.216  -9.242
  498   1HG   GLN  59          2HG       GLN  59   6.242   3.974 -10.418
  499   2HG   GLN  59          1HG       GLN  59   7.392   3.710  -9.105
  500   1HE2  GLN  59          2HE2      GLN  59   8.205   0.370 -10.153
  501   2HE2  GLN  59          1HE2      GLN  59   8.121   1.378  -8.790
  502    H    VAL  60           H        VAL  60   2.502   5.466  -8.034
  503    HA   VAL  60           HA       VAL  60   1.401   4.548  -5.703
  504    HB   VAL  60           HB       VAL  60   0.109   5.310  -8.310
  505   1HG1  VAL  60          3HG1      VAL  60  -1.300   4.432  -5.770
  506   2HG1  VAL  60          2HG1      VAL  60  -2.085   5.283  -7.101
  507   3HG1  VAL  60          1HG1      VAL  60  -1.421   3.669  -7.355
  508   1HG2  VAL  60          3HG2      VAL  60   1.231   6.897  -6.582
  509   2HG2  VAL  60          2HG2      VAL  60  -0.376   7.322  -7.175
  510   3HG2  VAL  60          1HG2      VAL  60  -0.190   6.575  -5.588
  511    HA   PRO  61           HA       PRO  61   0.688   0.222  -6.390
  512   1HB   PRO  61          2HB       PRO  61  -0.555  -0.228  -3.986
  513   2HB   PRO  61          1HB       PRO  61   1.198  -0.050  -4.155
  514   1HG   PRO  61          2HG       PRO  61  -0.782   1.860  -3.026
  515   2HG   PRO  61          1HG       PRO  61   0.956   1.732  -2.711
  516   1HD   PRO  61          2HD       PRO  61  -0.322   3.630  -4.403
  517   2HD   PRO  61          1HD       PRO  61   1.425   3.343  -4.265
  518    H    ARG  62           H        ARG  62  -1.250  -1.277  -6.381
  519    HA   ARG  62           HA       ARG  62  -3.878   0.105  -6.436
  520   1HB   ARG  62          2HB       ARG  62  -2.414  -0.783  -8.771
  521   2HB   ARG  62          1HB       ARG  62  -3.933  -1.665  -8.622
  522   1HG   ARG  62          2HG       ARG  62  -4.482   0.292  -9.856
  523   2HG   ARG  62          1HG       ARG  62  -5.030   0.622  -8.212
  524   1HD   ARG  62          2HD       ARG  62  -3.489   2.263  -7.895
  525   2HD   ARG  62          1HD       ARG  62  -2.224   1.367  -8.735
  526    HE   ARG  62           HE       ARG  62  -4.346   2.533 -10.428
  527   1HH1  ARG  62          1HH1      ARG  62  -0.994   3.302 -11.800
  528   2HH1  ARG  62          2HH1      ARG  62  -1.931   1.846 -11.803
  529   1HH2  ARG  62          1HH2      ARG  62  -2.817   4.785  -9.249
  530   2HH2  ARG  62          2HH2      ARG  62  -1.497   4.969 -10.356
  531    H    VAL  63           H        VAL  63  -5.664  -1.385  -6.153
  532    HA   VAL  63           HA       VAL  63  -4.794  -4.075  -5.179
  533    HB   VAL  63           HB       VAL  63  -6.300  -1.978  -3.892
  534   1HG1  VAL  63          1HG1      VAL  63  -7.761  -4.608  -4.244
  535   2HG1  VAL  63          3HG1      VAL  63  -8.124  -3.455  -2.957
  536   3HG1  VAL  63          2HG1      VAL  63  -8.352  -2.995  -4.647
  537   1HG2  VAL  63          1HG2      VAL  63  -4.815  -4.419  -3.285
  538   2HG2  VAL  63          3HG2      VAL  63  -4.938  -2.923  -2.360
  539   3HG2  VAL  63          2HG2      VAL  63  -6.175  -4.169  -2.194
  540    H    GLY  64           H        GLY  64  -5.597  -5.754  -6.322
  541   1HA   GLY  64          2HA       GLY  64  -7.337  -7.017  -7.390
  542   2HA   GLY  64          1HA       GLY  64  -8.278  -5.534  -7.557
   
  No H/Q in entry =         542
  Start of MODEL          20
 Raw file had  552 H/Q atoms
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1 -13.551   4.430  -2.871
    2   2H    MET   1          3H        MET   1 -15.094   4.083  -3.485
    3   3H    MET   1          2H        MET   1 -14.181   2.857  -2.742
    4    HA   MET   1           HA       MET   1 -13.656   2.302  -4.839
    5   1HB   MET   1          2HB       MET   1 -15.254   4.346  -5.476
    6   2HB   MET   1          1HB       MET   1 -13.715   5.088  -5.916
    7   1HG   MET   1          2HG       MET   1 -13.767   2.376  -6.876
    8   2HG   MET   1          1HG       MET   1 -15.218   3.216  -7.423
    9   1HE   MET   1          3HE       MET   1 -15.372   5.299  -8.348
   10   2HE   MET   1          2HE       MET   1 -14.103   6.405  -7.826
   11   3HE   MET   1          1HE       MET   1 -14.263   6.002  -9.533
   12    H    LYS   2           H        LYS   2 -11.889   3.308  -2.703
   13    HA   LYS   2           HA       LYS   2  -9.720   4.684  -4.159
   14   1HB   LYS   2          2HB       LYS   2 -10.430   4.208  -1.359
   15   2HB   LYS   2          1HB       LYS   2  -8.718   3.930  -1.678
   16   1HG   LYS   2          2HG       LYS   2 -10.240   6.425  -2.489
   17   2HG   LYS   2          1HG       LYS   2  -9.194   6.301  -1.075
   18   1HD   LYS   2          2HD       LYS   2  -7.310   5.652  -2.601
   19   2HD   LYS   2          1HD       LYS   2  -8.371   5.976  -3.972
   20   1HE   LYS   2          2HE       LYS   2  -6.836   7.896  -3.290
   21   2HE   LYS   2          1HE       LYS   2  -8.550   8.292  -3.411
   22   1HZ   LYS   2          2HZ       LYS   2  -7.618   7.338  -0.825
   23   2HZ   LYS   2          1HZ       LYS   2  -7.081   8.880  -1.294
   24   3HZ   LYS   2          3HZ       LYS   2  -8.742   8.557  -1.197
   25    H    THR   3           H        THR   3  -9.778   2.623  -5.622
   26    HA   THR   3           HA       THR   3  -8.131   0.441  -4.421
   27    HB   THR   3           HB       THR   3  -9.285  -0.987  -5.744
   28    HG1  THR   3           HG1      THR   3  -8.101  -0.689  -7.520
   29   1HG2  THR   3          3HG2      THR   3 -11.001   1.035  -5.311
   30   2HG2  THR   3          2HG2      THR   3 -10.919   1.122  -7.068
   31   3HG2  THR   3          1HG2      THR   3 -11.433  -0.369  -6.284
   32    H    GLU   4           H        GLU   4  -7.820   3.249  -6.259
   33    HA   GLU   4           HA       GLU   4  -5.528   2.174  -7.801
   34   1HB   GLU   4          2HB       GLU   4  -7.132   4.723  -7.939
   35   2HB   GLU   4          1HB       GLU   4  -5.559   4.607  -8.725
   36   1HG   GLU   4          2HG       GLU   4  -6.734   2.273  -9.554
   37   2HG   GLU   4          1HG       GLU   4  -8.130   3.347  -9.466
   38    H    TRP   5           H        TRP   5  -6.260   4.867  -5.587
   39    HA   TRP   5           HA       TRP   5  -4.799   6.054  -4.173
   40   1HB   TRP   5          2HB       TRP   5  -3.006   3.653  -4.658
   41   2HB   TRP   5          1HB       TRP   5  -2.747   4.890  -3.431
   42    HD1  TRP   5           HD1      TRP   5  -4.827   5.101  -1.563
   43    HE1  TRP   5           HE1      TRP   5  -6.119   3.167  -0.450
   44    HE3  TRP   5           HE3      TRP   5  -3.921   1.385  -4.946
   45    HZ2  TRP   5           HZ2      TRP   5  -6.673   0.399  -0.925
   46    HZ3  TRP   5           HZ3      TRP   5  -4.829  -0.892  -4.580
   47    HH2  TRP   5           HH2      TRP   5  -6.201  -1.384  -2.576
   48    HA   PRO   6           HA       PRO   6  -2.218   6.801  -8.068
   49   1HB   PRO   6          2HB       PRO   6  -3.709   8.811  -9.219
   50   2HB   PRO   6          1HB       PRO   6  -3.888   7.102  -9.654
   51   1HG   PRO   6          2HG       PRO   6  -5.660   8.806  -7.949
   52   2HG   PRO   6          1HG       PRO   6  -6.081   7.417  -8.968
   53   1HD   PRO   6          2HD       PRO   6  -5.809   7.328  -6.177
   54   2HD   PRO   6          1HD       PRO   6  -5.751   5.924  -7.257
   55    H    GLU   7           H        GLU   7  -4.112   8.721  -5.940
   56    HA   GLU   7           HA       GLU   7  -2.456  11.097  -5.943
   57   1HB   GLU   7          2HB       GLU   7  -4.860  10.268  -4.698
   58   2HB   GLU   7          1HB       GLU   7  -3.731  10.647  -3.394
   59   1HG   GLU   7          2HG       GLU   7  -3.251  12.834  -4.477
   60   2HG   GLU   7          1HG       GLU   7  -4.446  12.460  -5.720
   61    H    LEU   8           H        LEU   8  -2.016   7.929  -4.729
   62    HA   LEU   8           HA       LEU   8  -0.421   8.609  -2.411
   63   1HB   LEU   8          2HB       LEU   8  -1.243   6.194  -3.788
   64   2HB   LEU   8          1HB       LEU   8   0.469   6.117  -3.398
   65    HG   LEU   8           HG       LEU   8  -0.666   5.212  -1.513
   66   1HD1  LEU   8          2HD1      LEU   8   0.978   7.342  -1.261
   67   2HD1  LEU   8          1HD1      LEU   8  -0.455   7.972  -0.449
   68   3HD1  LEU   8          3HD1      LEU   8   0.298   6.482   0.121
   69   1HD2  LEU   8          2HD2      LEU   8  -2.545   7.513  -1.974
   70   2HD2  LEU   8          1HD2      LEU   8  -2.912   5.796  -1.797
   71   3HD2  LEU   8          3HD2      LEU   8  -2.453   6.752  -0.386
   72    H    VAL   9           H        VAL   9   0.120   8.874  -5.754
   73    HA   VAL   9           HA       VAL   9   2.851   8.198  -5.996
   74    HB   VAL   9           HB       VAL   9   1.201  10.348  -7.339
   75   1HG1  VAL   9          2HG1      VAL   9   3.662  11.018  -7.165
   76   2HG1  VAL   9          1HG1      VAL   9   4.034   9.566  -8.097
   77   3HG1  VAL   9          3HG1      VAL   9   3.049  10.840  -8.813
   78   1HG2  VAL   9          3HG2      VAL   9   2.276   7.626  -8.076
   79   2HG2  VAL   9          2HG2      VAL   9   0.608   8.197  -8.117
   80   3HG2  VAL   9          1HG2      VAL   9   1.767   8.774  -9.313
   81    H    GLY  10           H        GLY  10   4.756   9.316  -5.619
   82   1HA   GLY  10          2HA       GLY  10   6.169  10.828  -4.531
   83   2HA   GLY  10          1HA       GLY  10   4.939  12.036  -4.898
   84    H    LYS  11           H        LYS  11   3.730   9.421  -3.068
   85    HA   LYS  11           HA       LYS  11   3.601  11.183  -0.682
   86   1HB   LYS  11          2HB       LYS  11   1.670   9.678  -1.853
   87   2HB   LYS  11          1HB       LYS  11   2.273   8.529  -0.658
   88   1HG   LYS  11          2HG       LYS  11   0.544   9.747   0.445
   89   2HG   LYS  11          1HG       LYS  11   2.058  10.418   1.055
   90   1HD   LYS  11          2HD       LYS  11   1.877  12.354  -0.297
   91   2HD   LYS  11          1HD       LYS  11   0.655  11.617  -1.332
   92   1HE   LYS  11          2HE       LYS  11  -0.790  12.814  -0.031
   93   2HE   LYS  11          1HE       LYS  11  -0.593  11.455   1.076
   94   1HZ   LYS  11          2HZ       LYS  11   1.431  13.530   1.239
   95   2HZ   LYS  11          1HZ       LYS  11  -0.123  13.982   1.753
   96   3HZ   LYS  11          3HZ       LYS  11   0.658  12.664   2.479
   97    H    SER  12           H        SER  12   3.185   8.736   1.028
   98    HA   SER  12           HA       SER  12   5.906   7.552   1.016
   99   1HB   SER  12          2HB       SER  12   5.108   9.639   2.790
  100   2HB   SER  12          1HB       SER  12   5.231   8.155   3.733
  101    HG   SER  12           HG       SER  12   7.179   9.525   2.244
  102    H    VAL  13           H        VAL  13   6.015   5.585   2.312
  103    HA   VAL  13           HA       VAL  13   3.890   3.820   2.025
  104    HB   VAL  13           HB       VAL  13   5.985   3.870   4.213
  105   1HG1  VAL  13          1HG1      VAL  13   3.637   2.288   3.978
  106   2HG1  VAL  13          3HG1      VAL  13   5.000   1.252   3.548
  107   3HG1  VAL  13          2HG1      VAL  13   4.974   2.071   5.110
  108   1HG2  VAL  13          3HG2      VAL  13   6.676   3.730   1.751
  109   2HG2  VAL  13          2HG2      VAL  13   7.226   2.407   2.781
  110   3HG2  VAL  13          1HG2      VAL  13   5.844   2.176   1.708
  111    H    GLU  14           H        GLU  14   4.482   6.054   4.712
  112    HA   GLU  14           HA       GLU  14   2.673   5.191   6.622
  113   1HB   GLU  14          2HB       GLU  14   3.537   7.895   5.691
  114   2HB   GLU  14          1HB       GLU  14   2.149   7.811   6.776
  115   1HG   GLU  14          2HG       GLU  14   3.466   7.366   8.546
  116   2HG   GLU  14          1HG       GLU  14   4.280   6.061   7.682
  117    H    GLU  15           H        GLU  15   1.655   7.797   4.444
  118    HA   GLU  15           HA       GLU  15  -1.115   7.363   4.719
  119   1HB   GLU  15          2HB       GLU  15   0.636   8.727   2.731
  120   2HB   GLU  15          1HB       GLU  15  -1.027   8.397   2.240
  121   1HG   GLU  15          2HG       GLU  15  -1.473  10.354   3.312
  122   2HG   GLU  15          1HG       GLU  15  -1.424   9.348   4.759
  123    H    ALA  16           H        ALA  16   1.189   5.880   2.483
  124    HA   ALA  16           HA       ALA  16  -0.734   4.623   0.784
  125   1HB   ALA  16          1HB       ALA  16   2.118   4.599   1.119
  126   2HB   ALA  16          3HB       ALA  16   1.545   2.938   0.981
  127   3HB   ALA  16          2HB       ALA  16   1.175   4.105  -0.287
  128    H    LYS  17           H        LYS  17   1.358   2.604   2.812
  129    HA   LYS  17           HA       LYS  17  -0.371   0.448   3.014
  130   1HB   LYS  17          2HB       LYS  17   1.869   1.480   4.610
  131   2HB   LYS  17          1HB       LYS  17   0.730   0.525   5.558
  132   1HG   LYS  17          2HG       LYS  17   1.339  -0.656   2.944
  133   2HG   LYS  17          1HG       LYS  17   2.748  -0.508   3.991
  134   1HD   LYS  17          2HD       LYS  17   0.910  -1.434   5.771
  135   2HD   LYS  17          1HD       LYS  17   0.356  -2.222   4.292
  136   1HE   LYS  17          2HE       LYS  17   1.996  -3.742   4.559
  137   2HE   LYS  17          1HE       LYS  17   3.167  -2.456   4.276
  138   1HZ   LYS  17          2HZ       LYS  17   2.219  -2.225   6.898
  139   2HZ   LYS  17          1HZ       LYS  17   2.664  -3.845   6.650
  140   3HZ   LYS  17          3HZ       LYS  17   3.792  -2.607   6.378
  141    H    LYS  18           H        LYS  18  -0.542   3.519   4.635
  142    HA   LYS  18           HA       LYS  18  -2.369   2.819   6.726
  143   1HB   LYS  18          2HB       LYS  18  -1.071   4.876   6.801
  144   2HB   LYS  18          1HB       LYS  18  -1.868   5.464   5.336
  145   1HG   LYS  18          2HG       LYS  18  -3.906   4.689   7.177
  146   2HG   LYS  18          1HG       LYS  18  -2.750   5.683   8.063
  147   1HD   LYS  18          2HD       LYS  18  -2.986   7.062   5.696
  148   2HD   LYS  18          1HD       LYS  18  -4.621   6.441   5.925
  149   1HE   LYS  18          2HE       LYS  18  -4.999   8.026   7.472
  150   2HE   LYS  18          1HE       LYS  18  -3.701   7.355   8.458
  151   1HZ   LYS  18          3HZ       LYS  18  -2.839   8.955   6.204
  152   2HZ   LYS  18          2HZ       LYS  18  -3.666   9.812   7.415
  153   3HZ   LYS  18          1HZ       LYS  18  -2.266   8.928   7.799
  154    H    VAL  19           H        VAL  19  -3.375   5.190   4.309
  155    HA   VAL  19           HA       VAL  19  -6.098   4.659   4.439
  156    HB   VAL  19           HB       VAL  19  -4.754   5.281   1.802
  157   1HG1  VAL  19          2HG1      VAL  19  -7.430   5.167   2.717
  158   2HG1  VAL  19          1HG1      VAL  19  -7.042   6.878   2.536
  159   3HG1  VAL  19          3HG1      VAL  19  -6.856   5.783   1.167
  160   1HG2  VAL  19          1HG2      VAL  19  -5.117   7.029   4.245
  161   2HG2  VAL  19          3HG2      VAL  19  -3.640   6.749   3.324
  162   3HG2  VAL  19          2HG2      VAL  19  -4.948   7.706   2.628
  163    H    ILE  20           H        ILE  20  -3.716   3.031   2.359
  164    HA   ILE  20           HA       ILE  20  -5.515   1.393   0.922
  165    HB   ILE  20           HB       ILE  20  -2.697   0.809   1.873
  166   1HG1  ILE  20          2HG1      ILE  20  -3.545   1.471  -0.932
  167   2HG1  ILE  20          1HG1      ILE  20  -3.330   2.773   0.236
  168   1HG2  ILE  20          2HG2      ILE  20  -4.679  -0.856   0.539
  169   2HG2  ILE  20          1HG2      ILE  20  -3.242  -0.637  -0.458
  170   3HG2  ILE  20          3HG2      ILE  20  -3.091  -1.299   1.170
  171   1HD1  ILE  20          2HD1      ILE  20  -1.124   0.904   0.387
  172   2HD1  ILE  20          1HD1      ILE  20  -1.318   1.495  -1.263
  173   3HD1  ILE  20          3HD1      ILE  20  -1.089   2.636   0.063
  174    H    LEU  21           H        LEU  21  -3.954   0.825   4.083
  175    HA   LEU  21           HA       LEU  21  -4.681  -1.747   4.698
  176   1HB   LEU  21          2HB       LEU  21  -3.578  -0.299   6.326
  177   2HB   LEU  21          1HB       LEU  21  -5.040   0.680   6.480
  178    HG   LEU  21           HG       LEU  21  -5.508  -2.189   6.903
  179   1HD1  LEU  21          3HD1      LEU  21  -3.335  -0.780   8.338
  180   2HD1  LEU  21          2HD1      LEU  21  -4.495  -1.616   9.370
  181   3HD1  LEU  21          1HD1      LEU  21  -3.611  -2.510   8.132
  182   1HD2  LEU  21          3HD2      LEU  21  -6.485   0.401   7.741
  183   2HD2  LEU  21          2HD2      LEU  21  -7.270  -1.173   7.877
  184   3HD2  LEU  21          1HD2      LEU  21  -6.187  -0.615   9.151
  185    H    GLN  22           H        GLN  22  -6.953   0.889   4.170
  186    HA   GLN  22           HA       GLN  22  -9.089  -1.141   4.422
  187   1HB   GLN  22          2HB       GLN  22  -8.637   1.006   6.301
  188   2HB   GLN  22          1HB       GLN  22 -10.218   1.171   5.533
  189   1HG   GLN  22          2HG       GLN  22 -10.718  -1.205   6.068
  190   2HG   GLN  22          1HG       GLN  22  -9.160  -1.337   6.885
  191   1HE2  GLN  22          2HE2      GLN  22 -10.634   1.476   9.121
  192   2HE2  GLN  22          1HE2      GLN  22  -9.592   1.625   7.790
  193    H    ASP  23           H        ASP  23  -9.011   2.426   3.939
  194    HA   ASP  23           HA       ASP  23 -10.283   3.673   2.400
  195   1HB   ASP  23          2HB       ASP  23  -9.701   2.863  -0.018
  196   2HB   ASP  23          1HB       ASP  23  -8.421   3.489   1.018
  197    H    LYS  24           H        LYS  24 -10.561   0.869   0.306
  198    HA   LYS  24           HA       LYS  24 -13.417   1.092   0.230
  199   1HB   LYS  24          2HB       LYS  24 -11.628  -1.184  -0.674
  200   2HB   LYS  24          1HB       LYS  24 -13.283  -0.887  -1.208
  201   1HG   LYS  24          2HG       LYS  24 -12.576   1.277  -2.145
  202   2HG   LYS  24          1HG       LYS  24 -10.921   0.958  -1.618
  203   1HD   LYS  24          2HD       LYS  24 -10.736   0.106  -3.741
  204   2HD   LYS  24          1HD       LYS  24 -11.394  -1.330  -2.958
  205   1HE   LYS  24          2HE       LYS  24 -13.705  -0.064  -3.504
  206   2HE   LYS  24          1HE       LYS  24 -12.723   0.578  -4.819
  207   1HZ   LYS  24          2HZ       LYS  24 -12.042  -1.928  -5.032
  208   2HZ   LYS  24          1HZ       LYS  24 -13.549  -2.179  -4.287
  209   3HZ   LYS  24          3HZ       LYS  24 -13.462  -1.342  -5.759
  210    HA   PRO  25           HA       PRO  25 -14.277  -2.114   3.349
  211   1HB   PRO  25          2HB       PRO  25 -13.615  -4.745   2.925
  212   2HB   PRO  25          1HB       PRO  25 -15.027  -3.967   2.186
  213   1HG   PRO  25          2HG       PRO  25 -12.446  -4.748   0.931
  214   2HG   PRO  25          1HG       PRO  25 -14.037  -4.528   0.183
  215   1HD   PRO  25          2HD       PRO  25 -11.870  -2.701   0.106
  216   2HD   PRO  25          1HD       PRO  25 -13.542  -2.391  -0.410
  217    H    GLU  26           H        GLU  26 -11.473  -4.089   2.423
  218    HA   GLU  26           HA       GLU  26  -9.714  -2.863   4.417
  219   1HB   GLU  26          2HB       GLU  26 -10.139  -5.787   4.854
  220   2HB   GLU  26          1HB       GLU  26  -9.636  -4.537   5.993
  221   1HG   GLU  26          2HG       GLU  26 -11.897  -3.677   6.140
  222   2HG   GLU  26          1HG       GLU  26 -12.437  -4.754   4.852
  223    H    ALA  27           H        ALA  27  -9.096  -2.821   1.903
  224    HA   ALA  27           HA       ALA  27  -7.738  -5.301   1.128
  225   1HB   ALA  27          2HB       ALA  27  -8.590  -2.834  -0.217
  226   2HB   ALA  27          1HB       ALA  27  -6.985  -3.371  -0.714
  227   3HB   ALA  27          3HB       ALA  27  -8.371  -4.453  -0.886
  228    H    GLN  28           H        GLN  28  -5.778  -5.675   2.037
  229    HA   GLN  28           HA       GLN  28  -4.222  -3.452   3.160
  230   1HB   GLN  28          2HB       GLN  28  -4.488  -6.238   3.648
  231   2HB   GLN  28          1HB       GLN  28  -2.807  -5.946   3.202
  232   1HG   GLN  28          2HG       GLN  28  -2.656  -5.447   5.448
  233   2HG   GLN  28          1HG       GLN  28  -3.160  -3.861   4.862
  234   1HE2  GLN  28          2HE2      GLN  28  -5.447  -5.026   7.656
  235   2HE2  GLN  28          1HE2      GLN  28  -3.758  -4.903   7.540
  236    H    ILE  29           H        ILE  29  -1.769  -3.507   2.752
  237    HA   ILE  29           HA       ILE  29  -1.157  -4.296  -0.032
  238    HB   ILE  29           HB       ILE  29  -1.855  -1.930  -0.098
  239   1HG1  ILE  29          2HG1      ILE  29   1.129  -2.232  -0.470
  240   2HG1  ILE  29          1HG1      ILE  29  -0.060  -2.914  -1.574
  241   1HG2  ILE  29          3HG2      ILE  29   0.129  -1.778   2.117
  242   2HG2  ILE  29          2HG2      ILE  29   0.100  -0.428   0.981
  243   3HG2  ILE  29          1HG2      ILE  29  -1.356  -0.861   1.876
  244   1HD1  ILE  29          3HD1      ILE  29   0.018   0.022  -0.836
  245   2HD1  ILE  29          2HD1      ILE  29   0.823  -0.640  -2.260
  246   3HD1  ILE  29          1HD1      ILE  29  -0.932  -0.735  -2.115
  247    H    ILE  30           H        ILE  30   0.965  -4.894  -0.377
  248    HA   ILE  30           HA       ILE  30   2.648  -5.210   2.045
  249    HB   ILE  30           HB       ILE  30   2.447  -6.461  -0.654
  250   1HG1  ILE  30          2HG1      ILE  30   1.582  -7.561   1.361
  251   2HG1  ILE  30          1HG1      ILE  30   2.920  -8.491   0.684
  252   1HG2  ILE  30          3HG2      ILE  30   5.075  -6.079   0.778
  253   2HG2  ILE  30          2HG2      ILE  30   4.791  -7.458  -0.280
  254   3HG2  ILE  30          1HG2      ILE  30   4.706  -5.820  -0.929
  255   1HD1  ILE  30          1HD1      ILE  30   4.136  -6.659   2.422
  256   2HD1  ILE  30          3HD1      ILE  30   2.703  -7.214   3.288
  257   3HD1  ILE  30          2HD1      ILE  30   3.895  -8.382   2.715
  258    H    VAL  31           H        VAL  31   5.055  -4.559   1.779
  259    HA   VAL  31           HA       VAL  31   5.317  -2.336  -0.184
  260    HB   VAL  31           HB       VAL  31   6.131  -2.165   2.722
  261   1HG1  VAL  31          1HG1      VAL  31   6.876  -0.661   0.319
  262   2HG1  VAL  31          3HG1      VAL  31   6.273   0.355   1.629
  263   3HG1  VAL  31          2HG1      VAL  31   7.651  -0.711   1.903
  264   1HG2  VAL  31          2HG2      VAL  31   3.623  -1.902   1.888
  265   2HG2  VAL  31          1HG2      VAL  31   4.302  -0.803   3.088
  266   3HG2  VAL  31          3HG2      VAL  31   4.200  -0.309   1.399
  267    H    LEU  32           H        LEU  32   7.238  -2.309  -1.236
  268    HA   LEU  32           HA       LEU  32   9.501  -3.861  -0.050
  269   1HB   LEU  32          2HB       LEU  32  10.017  -4.867  -2.168
  270   2HB   LEU  32          1HB       LEU  32   8.312  -5.173  -1.882
  271    HG   LEU  32           HG       LEU  32   8.754  -2.655  -3.264
  272   1HD1  LEU  32          3HD1      LEU  32  10.698  -4.342  -3.942
  273   2HD1  LEU  32          2HD1      LEU  32   9.418  -5.083  -4.901
  274   3HD1  LEU  32          1HD1      LEU  32   9.865  -3.401  -5.174
  275   1HD2  LEU  32          2HD2      LEU  32   6.784  -4.565  -2.971
  276   2HD2  LEU  32          1HD2      LEU  32   6.776  -3.303  -4.202
  277   3HD2  LEU  32          3HD2      LEU  32   7.390  -4.909  -4.591
  278    HA   PRO  33           HA       PRO  33  11.865  -0.359  -1.176
  279   1HB   PRO  33          2HB       PRO  33  14.329  -1.535  -1.442
  280   2HB   PRO  33          1HB       PRO  33  13.535  -1.272   0.121
  281   1HG   PRO  33          2HG       PRO  33  13.893  -3.811  -1.396
  282   2HG   PRO  33          1HG       PRO  33  13.701  -3.564   0.347
  283   1HD   PRO  33          2HD       PRO  33  11.683  -4.422  -1.455
  284   2HD   PRO  33          1HD       PRO  33  11.437  -3.894   0.223
  285    H    VAL  34           H        VAL  34  10.495  -1.563  -3.473
  286    HA   VAL  34           HA       VAL  34  10.645  -1.696  -5.815
  287    HB   VAL  34           HB       VAL  34  12.579   0.500  -5.075
  288   1HG1  VAL  34          2HG1      VAL  34  12.324  -0.914  -7.640
  289   2HG1  VAL  34          1HG1      VAL  34  12.068   0.826  -7.771
  290   3HG1  VAL  34          3HG1      VAL  34  13.573   0.204  -7.096
  291   1HG2  VAL  34          3HG2      VAL  34  10.072   0.751  -4.868
  292   2HG2  VAL  34          2HG2      VAL  34  10.828   1.911  -5.962
  293   3HG2  VAL  34          1HG2      VAL  34   9.967   0.514  -6.612
  294    H    GLY  35           H        GLY  35  14.042  -0.856  -5.613
  295   1HA   GLY  35          2HA       GLY  35  15.937  -2.067  -6.293
  296   2HA   GLY  35          1HA       GLY  35  15.236  -3.378  -5.344
  297    H    THR  36           H        THR  36  14.841  -5.195  -6.481
  298    HA   THR  36           HA       THR  36  14.779  -5.054  -9.428
  299    HB   THR  36           HB       THR  36  14.868  -7.400  -7.519
  300    HG1  THR  36           HG1      THR  36  16.752  -6.049  -7.758
  301   1HG2  THR  36          1HG2      THR  36  13.906  -7.413 -10.115
  302   2HG2  THR  36          3HG2      THR  36  15.600  -7.858 -10.315
  303   3HG2  THR  36          2HG2      THR  36  14.558  -8.809  -9.256
  304    H    ILE  37           H        ILE  37  13.043  -7.638  -7.973
  305    HA   ILE  37           HA       ILE  37  10.781  -8.211  -8.003
  306    HB   ILE  37           HB       ILE  37  10.808  -5.603  -7.100
  307   1HG1  ILE  37          2HG1      ILE  37   8.480  -6.078  -6.423
  308   2HG1  ILE  37          1HG1      ILE  37   8.422  -7.410  -7.577
  309   1HG2  ILE  37          2HG2      ILE  37  10.147  -5.108  -9.626
  310   2HG2  ILE  37          1HG2      ILE  37   8.549  -5.593  -9.064
  311   3HG2  ILE  37          3HG2      ILE  37   9.382  -4.235  -8.304
  312   1HD1  ILE  37          3HD1      ILE  37  10.637  -7.341  -5.556
  313   2HD1  ILE  37          2HD1      ILE  37   9.035  -7.880  -5.051
  314   3HD1  ILE  37          1HD1      ILE  37   9.884  -8.730  -6.341
  315    H    VAL  38           H        VAL  38   8.788  -7.960  -9.580
  316    HA   VAL  38           HA       VAL  38   7.953  -7.866 -11.790
  317    HB   VAL  38           HB       VAL  38  10.643  -6.804 -12.676
  318   1HG1  VAL  38          2HG1      VAL  38   9.012  -7.575 -14.392
  319   2HG1  VAL  38          1HG1      VAL  38   7.839  -6.423 -13.755
  320   3HG1  VAL  38          3HG1      VAL  38   9.334  -5.844 -14.491
  321   1HG2  VAL  38          2HG2      VAL  38   8.682  -5.560 -10.932
  322   2HG2  VAL  38          1HG2      VAL  38  10.258  -4.957 -11.443
  323   3HG2  VAL  38          3HG2      VAL  38   8.837  -4.665 -12.443
  324    H    THR  39           H        THR  39  10.633  -9.548 -10.665
  325    HA   THR  39           HA       THR  39  10.239 -11.630 -12.704
  326    HB   THR  39           HB       THR  39  12.757 -11.764 -13.083
  327    HG1  THR  39           HG1      THR  39  12.560  -9.181 -11.934
  328   1HG2  THR  39          1HG2      THR  39  10.872 -10.540 -14.523
  329   2HG2  THR  39          3HG2      THR  39  11.826  -9.118 -14.102
  330   3HG2  THR  39          2HG2      THR  39  12.576 -10.457 -14.972
  331   1H    GLU  41          3H        GLU  41 -10.006 -11.666  -7.497
  332   2H    GLU  41          2H        GLU  41 -10.612 -13.197  -7.083
  333   3H    GLU  41          1H        GLU  41  -9.867 -12.954  -8.590
  334    HA   GLU  41           HA       GLU  41 -11.632 -11.625  -9.376
  335   1HB   GLU  41          2HB       GLU  41 -12.040 -14.290  -8.373
  336   2HB   GLU  41          1HB       GLU  41 -13.541 -13.377  -8.218
  337   1HG   GLU  41          2HG       GLU  41 -13.293 -12.670 -10.610
  338   2HG   GLU  41          1HG       GLU  41 -11.894 -13.737 -10.738
  339    H    TYR  42           H        TYR  42 -11.226 -11.565  -6.046
  340    HA   TYR  42           HA       TYR  42 -13.655  -9.846  -5.728
  341   1HB   TYR  42          2HB       TYR  42 -13.723 -10.512  -3.378
  342   2HB   TYR  42          1HB       TYR  42 -13.735 -11.956  -4.389
  343    HD1  TYR  42           HD1      TYR  42 -11.731 -13.363  -4.612
  344    HD2  TYR  42           HD2      TYR  42 -11.777  -9.953  -1.989
  345    HE1  TYR  42           HE1      TYR  42  -9.688 -14.193  -3.493
  346    HE2  TYR  42           HE2      TYR  42  -9.737 -10.790  -0.874
  347    HH   TYR  42           HH       TYR  42  -8.450 -12.700  -0.579
  348    H    ARG  43           H        ARG  43 -12.802  -8.931  -3.128
  349    HA   ARG  43           HA       ARG  43 -10.842  -6.915  -3.995
  350   1HB   ARG  43          2HB       ARG  43 -12.807  -6.156  -2.741
  351   2HB   ARG  43          1HB       ARG  43 -12.410  -7.249  -1.417
  352   1HG   ARG  43          2HG       ARG  43 -11.599  -5.092  -0.782
  353   2HG   ARG  43          1HG       ARG  43 -10.184  -6.043  -1.239
  354   1HD   ARG  43          2HD       ARG  43 -10.128  -3.777  -2.253
  355   2HD   ARG  43          1HD       ARG  43 -10.217  -5.043  -3.481
  356    HE   ARG  43           HE       ARG  43 -12.423  -3.198  -2.743
  357   1HH1  ARG  43          1HH2      ARG  43 -10.798  -4.616  -5.264
  358   2HH1  ARG  43          2HH2      ARG  43 -12.204  -5.104  -6.152
  359   1HH2  ARG  43          2HH1      ARG  43 -14.411  -4.361  -3.587
  360   2HH2  ARG  43          1HH1      ARG  43 -14.246  -4.959  -5.204
  361    H    ILE  44           H        ILE  44  -9.080  -8.669  -4.081
  362    HA   ILE  44           HA       ILE  44  -8.210 -10.077  -1.795
  363    HB   ILE  44           HB       ILE  44  -7.114 -10.445  -3.948
  364   1HG1  ILE  44          2HG1      ILE  44  -4.691  -9.505  -2.850
  365   2HG1  ILE  44          1HG1      ILE  44  -5.739  -9.842  -1.466
  366   1HG2  ILE  44          3HG2      ILE  44  -7.047  -7.593  -3.981
  367   2HG2  ILE  44          2HG2      ILE  44  -5.379  -8.162  -4.051
  368   3HG2  ILE  44          1HG2      ILE  44  -6.546  -8.700  -5.258
  369   1HD1  ILE  44          1HD1      ILE  44  -5.695 -11.862  -3.665
  370   2HD1  ILE  44          3HD1      ILE  44  -4.267 -11.762  -2.635
  371   3HD1  ILE  44          2HD1      ILE  44  -5.845 -12.097  -1.923
  372    H    ASP  45           H        ASP  45  -6.957  -9.436   0.011
  373    HA   ASP  45           HA       ASP  45  -6.908  -6.513   0.376
  374   1HB   ASP  45          2HB       ASP  45  -7.028  -6.884   2.677
  375   2HB   ASP  45          1HB       ASP  45  -7.923  -8.255   2.023
  376    H    ARG  46           H        ARG  46  -5.018  -7.184  -1.377
  377    HA   ARG  46           HA       ARG  46  -2.561  -6.526   0.111
  378   1HB   ARG  46          2HB       ARG  46  -2.788  -9.106  -0.219
  379   2HB   ARG  46          1HB       ARG  46  -2.441  -8.764  -1.914
  380   1HG   ARG  46          2HG       ARG  46  -0.381  -7.521  -1.162
  381   2HG   ARG  46          1HG       ARG  46  -0.696  -8.102   0.473
  382   1HD   ARG  46          2HD       ARG  46  -0.701 -10.145  -1.690
  383   2HD   ARG  46          1HD       ARG  46   0.864  -9.453  -1.259
  384    HE   ARG  46           HE       ARG  46  -0.326 -10.119   1.178
  385   1HH1  ARG  46          2HH1      ARG  46   2.156 -11.362  -0.228
  386   2HH1  ARG  46          1HH1      ARG  46   1.735 -13.040  -0.156
  387   1HH2  ARG  46          1HH2      ARG  46  -1.594 -12.443   0.618
  388   2HH2  ARG  46          2HH2      ARG  46  -0.390 -13.651   0.323
  389    H    VAL  47           H        VAL  47  -1.019  -5.479  -1.260
  390    HA   VAL  47           HA       VAL  47  -1.634  -5.141  -4.112
  391    HB   VAL  47           HB       VAL  47  -1.227  -2.500  -2.906
  392   1HG1  VAL  47          3HG1      VAL  47  -2.063  -3.369  -5.263
  393   2HG1  VAL  47          2HG1      VAL  47  -3.636  -3.315  -4.469
  394   3HG1  VAL  47          1HG1      VAL  47  -2.661  -1.852  -4.591
  395   1HG2  VAL  47          3HG2      VAL  47  -3.691  -4.098  -2.161
  396   2HG2  VAL  47          2HG2      VAL  47  -2.542  -3.349  -1.058
  397   3HG2  VAL  47          1HG2      VAL  47  -3.591  -2.342  -2.054
  398    H    ARG  48           H        ARG  48   0.161  -3.368  -4.937
  399    HA   ARG  48           HA       ARG  48   2.690  -4.343  -3.696
  400   1HB   ARG  48          2HB       ARG  48   1.847  -3.838  -6.461
  401   2HB   ARG  48          1HB       ARG  48   3.462  -3.246  -6.062
  402   1HG   ARG  48          2HG       ARG  48   2.448  -6.061  -5.535
  403   2HG   ARG  48          1HG       ARG  48   3.527  -5.601  -6.853
  404   1HD   ARG  48          2HD       ARG  48   5.117  -4.698  -5.070
  405   2HD   ARG  48          1HD       ARG  48   4.100  -5.506  -3.875
  406    HE   ARG  48           HE       ARG  48   6.072  -6.810  -5.435
  407   1HH1  ARG  48          1HH2      ARG  48   3.436  -7.626  -6.789
  408   2HH1  ARG  48          2HH2      ARG  48   3.095  -9.109  -5.959
  409   1HH2  ARG  48          2HH1      ARG  48   5.342  -8.494  -3.391
  410   2HH2  ARG  48          1HH1      ARG  48   4.174  -9.598  -4.034
  411    H    LEU  49           H        LEU  49   2.717  -2.706  -2.068
  412    HA   LEU  49           HA       LEU  49   2.866   0.110  -2.839
  413   1HB   LEU  49          2HB       LEU  49   2.075  -0.706  -0.554
  414   2HB   LEU  49          1HB       LEU  49   3.747  -1.119  -0.211
  415    HG   LEU  49           HG       LEU  49   3.140   1.103   0.692
  416   1HD1  LEU  49          3HD1      LEU  49   5.460   0.495  -0.246
  417   2HD1  LEU  49          2HD1      LEU  49   5.031   1.518  -1.627
  418   3HD1  LEU  49          1HD1      LEU  49   5.105   2.207  -0.002
  419   1HD2  LEU  49          2HD2      LEU  49   1.455   1.694  -1.009
  420   2HD2  LEU  49          1HD2      LEU  49   2.678   2.958  -0.858
  421   3HD2  LEU  49          3HD2      LEU  49   2.732   1.840  -2.224
  422    H    PHE  50           H        PHE  50   4.605   0.233  -4.301
  423    HA   PHE  50           HA       PHE  50   7.250  -0.796  -3.456
  424   1HB   PHE  50          2HB       PHE  50   6.157   0.558  -5.918
  425   2HB   PHE  50          1HB       PHE  50   7.900   0.361  -5.678
  426    HD1  PHE  50           HD2      PHE  50   8.884  -1.916  -5.516
  427    HD2  PHE  50           HD1      PHE  50   4.749  -1.311  -6.504
  428    HE1  PHE  50           HE2      PHE  50   8.755  -4.224  -6.433
  429    HE2  PHE  50           HE1      PHE  50   4.636  -3.609  -7.428
  430    HZ   PHE  50           HZ       PHE  50   6.637  -5.063  -7.388
  431    H    VAL  51           H        VAL  51   8.774   0.577  -2.514
  432    HA   VAL  51           HA       VAL  51   7.968   3.412  -2.133
  433    HB   VAL  51           HB       VAL  51   9.817   3.396  -0.410
  434   1HG1  VAL  51          1HG1      VAL  51   7.249   2.614  -0.169
  435   2HG1  VAL  51          3HG1      VAL  51   8.046   1.114   0.305
  436   3HG1  VAL  51          2HG1      VAL  51   8.376   2.604   1.188
  437   1HG2  VAL  51          3HG2      VAL  51  10.647   1.148  -1.743
  438   2HG2  VAL  51          2HG2      VAL  51  11.155   1.582  -0.111
  439   3HG2  VAL  51          1HG2      VAL  51   9.826   0.447  -0.349
  440    H    ASP  52           H        ASP  52  10.379   4.638  -1.731
  441    HA   ASP  52           HA       ASP  52  11.862   4.160  -4.279
  442   1HB   ASP  52          2HB       ASP  52  11.885   6.441  -4.810
  443   2HB   ASP  52          1HB       ASP  52  10.266   6.239  -4.147
  444    H    LYS  53           H        LYS  53  13.619   6.446  -3.553
  445    HA   LYS  53           HA       LYS  53  15.520   4.976  -1.928
  446   1HB   LYS  53          2HB       LYS  53  15.616   7.877  -2.761
  447   2HB   LYS  53          1HB       LYS  53  16.982   6.801  -2.448
  448   1HG   LYS  53          2HG       LYS  53  14.960   6.437  -4.691
  449   2HG   LYS  53          1HG       LYS  53  16.570   7.137  -4.891
  450   1HD   LYS  53          2HD       LYS  53  16.768   4.638  -3.458
  451   2HD   LYS  53          1HD       LYS  53  15.880   4.397  -4.963
  452   1HE   LYS  53          2HE       LYS  53  18.575   5.765  -4.719
  453   2HE   LYS  53          1HE       LYS  53  18.313   4.122  -5.304
  454   1HZ   LYS  53          1HZ       LYS  53  16.601   5.855  -6.689
  455   2HZ   LYS  53          3HZ       LYS  53  18.167   6.505  -6.747
  456   3HZ   LYS  53          2HZ       LYS  53  17.883   4.924  -7.303
  457    H    LEU  54           H        LEU  54  13.559   7.921  -1.569
  458    HA   LEU  54           HA       LEU  54  14.205   7.996   1.337
  459   1HB   LEU  54          2HB       LEU  54  13.683   9.977  -0.692
  460   2HB   LEU  54          1HB       LEU  54  12.508  10.141   0.612
  461    HG   LEU  54           HG       LEU  54  15.517  10.012   0.981
  462   1HD1  LEU  54          1HD1      LEU  54  14.512  12.119  -0.081
  463   2HD1  LEU  54          3HD1      LEU  54  13.686  12.369   1.457
  464   3HD1  LEU  54          2HD1      LEU  54  15.448  12.357   1.395
  465   1HD2  LEU  54          1HD2      LEU  54  13.507   9.344   2.770
  466   2HD2  LEU  54          3HD2      LEU  54  15.137   9.853   3.212
  467   3HD2  LEU  54          2HD2      LEU  54  13.830  11.036   3.153
  468    H    ASP  55           H        ASP  55  12.390   5.964   0.219
  469    HA   ASP  55           HA       ASP  55  10.251   5.080   0.592
  470   1HB   ASP  55          2HB       ASP  55   9.364   6.647   2.820
  471   2HB   ASP  55          1HB       ASP  55   9.938   4.979   2.821
  472    H    ASN  56           H        ASN  56   9.870   6.434  -1.418
  473    HA   ASN  56           HA       ASN  56   7.671   8.368  -0.893
  474   1HB   ASN  56          2HB       ASN  56   9.890   9.423  -1.620
  475   2HB   ASN  56          1HB       ASN  56   9.636   8.616  -3.171
  476   1HD2  ASN  56          2HD2      ASN  56   8.086  12.066  -3.239
  477   2HD2  ASN  56          1HD2      ASN  56   9.647  11.506  -2.875
  478    H    ILE  57           H        ILE  57   6.014   7.027  -1.401
  479    HA   ILE  57           HA       ILE  57   5.794   4.930  -3.142
  480    HB   ILE  57           HB       ILE  57   3.678   7.089  -2.970
  481   1HG1  ILE  57          2HG1      ILE  57   4.368   6.537  -0.707
  482   2HG1  ILE  57          1HG1      ILE  57   2.836   5.728  -1.031
  483   1HG2  ILE  57          3HG2      ILE  57   3.825   4.317  -3.978
  484   2HG2  ILE  57          2HG2      ILE  57   2.433   4.659  -2.949
  485   3HG2  ILE  57          1HG2      ILE  57   2.709   5.614  -4.405
  486   1HD1  ILE  57          2HD1      ILE  57   4.218   3.699  -1.739
  487   2HD1  ILE  57          1HD1      ILE  57   5.604   4.518  -1.020
  488   3HD1  ILE  57          3HD1      ILE  57   4.223   4.077  -0.016
  489    H    ALA  58           H        ALA  58   7.176   5.238  -4.946
  490    HA   ALA  58           HA       ALA  58   6.486   7.346  -6.902
  491   1HB   ALA  58          3HB       ALA  58   8.725   5.426  -6.504
  492   2HB   ALA  58          2HB       ALA  58   8.340   5.838  -8.176
  493   3HB   ALA  58          1HB       ALA  58   8.770   7.109  -7.030
  494    H    GLN  59           H        GLN  59   5.771   4.061  -6.204
  495    HA   GLN  59           HA       GLN  59   4.524   3.746  -8.908
  496   1HB   GLN  59          2HB       GLN  59   6.316   2.027  -7.481
  497   2HB   GLN  59          1HB       GLN  59   4.747   1.227  -7.579
  498   1HG   GLN  59          2HG       GLN  59   5.794   0.588  -9.587
  499   2HG   GLN  59          1HG       GLN  59   4.787   1.952 -10.077
  500   1HE2  GLN  59          2HE2      GLN  59   8.795   2.219 -10.453
  501   2HE2  GLN  59          1HE2      GLN  59   8.027   0.783  -9.975
  502    H    VAL  60           H        VAL  60   2.389   4.231  -8.608
  503    HA   VAL  60           HA       VAL  60   1.013   3.983  -6.113
  504    HB   VAL  60           HB       VAL  60   0.080   4.324  -8.962
  505   1HG1  VAL  60          1HG1      VAL  60  -1.531   3.982  -6.431
  506   2HG1  VAL  60          3HG1      VAL  60  -2.155   4.895  -7.804
  507   3HG1  VAL  60          2HG1      VAL  60  -1.756   3.187  -7.988
  508   1HG2  VAL  60          3HG2      VAL  60   1.259   6.151  -7.568
  509   2HG2  VAL  60          2HG2      VAL  60  -0.277   6.577  -8.322
  510   3HG2  VAL  60          1HG2      VAL  60  -0.217   6.187  -6.604
  511    HA   PRO  61           HA       PRO  61   0.108  -0.367  -6.336
  512   1HB   PRO  61          2HB       PRO  61  -1.369  -0.439  -4.025
  513   2HB   PRO  61          1HB       PRO  61   0.400  -0.384  -4.051
  514   1HG   PRO  61          2HG       PRO  61  -1.530   1.763  -3.339
  515   2HG   PRO  61          1HG       PRO  61   0.162   1.572  -2.855
  516   1HD   PRO  61          2HD       PRO  61  -0.836   3.319  -4.867
  517   2HD   PRO  61          1HD       PRO  61   0.869   2.951  -4.533
  518    H    ARG  62           H        ARG  62  -1.928  -1.744  -6.399
  519    HA   ARG  62           HA       ARG  62  -4.461  -0.259  -6.740
  520   1HB   ARG  62          2HB       ARG  62  -2.856  -0.898  -8.972
  521   2HB   ARG  62          1HB       ARG  62  -4.188  -2.056  -8.980
  522   1HG   ARG  62          2HG       ARG  62  -5.221  -0.313 -10.083
  523   2HG   ARG  62          1HG       ARG  62  -5.605   0.142  -8.419
  524   1HD   ARG  62          2HD       ARG  62  -4.701   2.072  -9.668
  525   2HD   ARG  62          1HD       ARG  62  -3.613   1.609  -8.361
  526    HE   ARG  62           HE       ARG  62  -2.702   0.204 -10.605
  527   1HH1  ARG  62          1HH2      ARG  62  -3.897   3.043 -11.501
  528   2HH1  ARG  62          2HH2      ARG  62  -2.401   3.887 -11.725
  529   1HH2  ARG  62          2HH1      ARG  62  -0.491   1.474 -10.127
  530   2HH2  ARG  62          1HH1      ARG  62  -0.473   2.998 -10.951
  531    H    VAL  63           H        VAL  63  -6.184  -1.480  -6.107
  532    HA   VAL  63           HA       VAL  63  -5.747  -4.410  -5.692
  533    HB   VAL  63           HB       VAL  63  -6.886  -2.279  -3.967
  534   1HG1  VAL  63          3HG1      VAL  63  -8.140  -5.034  -4.109
  535   2HG1  VAL  63          2HG1      VAL  63  -8.365  -3.907  -2.770
  536   3HG1  VAL  63          1HG1      VAL  63  -8.950  -3.490  -4.382
  537   1HG2  VAL  63          1HG2      VAL  63  -4.974  -4.398  -3.831
  538   2HG2  VAL  63          3HG2      VAL  63  -5.317  -3.163  -2.620
  539   3HG2  VAL  63          2HG2      VAL  63  -6.199  -4.689  -2.598
  540    H    GLY  64           H        GLY  64  -7.497  -5.777  -6.302
  541   1HA   GLY  64          2HA       GLY  64 -10.106  -5.126  -6.963
  542   2HA   GLY  64          1HA       GLY  64  -9.192  -4.716  -8.415
   
  No H/Q in entry =         542
   
  No H/Q in entry =         542