*HEADER    ANTIMICROBIAL PROTEIN                   24-JAN-19   6J9P              
*TITLE     SOLUTION STRUCTURE OF A SALT-RESISTANT ANTIMICROBIAL PEPTIDE, RR12    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SALT-RESISTANT ANTIMICROBIAL PEPTIDE RR12;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    AMP, SDS, SALT-RESISTANT, ANTIMICROBIAL PROTEIN                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    T.S.TSENG                                                             
*REVDAT   1   29-JAN-20 6J9P    0                                                
# Restraints file 1: RR12_M3.txt
assign	(residue	1	and	name	HB2)	(residue	1	and	name	HD2)	3.5	1.8	1
assign	(residue	1	and	name	HB2)	(residue	1	and	name	HD3)	3.5	1.8	1
assign	(residue	1	and	name	HB3)	(residue	1	and	name	HB2)	3.5	1.8	1
assign	(residue	1	and	name	HD2)	(residue	1	and	name	HE)	3.5	1.8	1
assign	(residue	1	and	name	HD3)	(residue	1	and	name	HE)	3.5	1.8	1
assign	(residue	1	and	name	HG#)	(residue	1	and	name	HD2)	3.5	1.8	1
assign	(residue	1	and	name	HG#)	(residue	1	and	name	HE)	3.5	1.8	1
assign	(residue	2	and	name	HA)	(residue	3	and	name	HN)	3.5	1.8	1
assign	(residue	2	and	name	HB#)	(residue	3	and	name	HN)	3.5	1.8	1
assign	(residue	2	and	name	HD#)	(residue	2	and	name	HE)	3.5	1.8	1
assign	(residue	3	and	name	HA)	(residue	3	and	name	HN)	3.5	1.8	1
assign	(residue	3	and	name	HG)	(residue	4	and	name	HA)	3.5	1.8	1
assign	(residue	3	and	name	HN)	(residue	4	and	name	HN)	3.5	1.8	1
assign	(residue	4	and	name	HA)	(residue	4	and	name	HN)	3.5	1.8	1
assign	(residue	4	and	name	HA)	(residue	7	and	name	HN)	3.5	1.8	1
assign	(residue	4	and	name	HG2)	(residue	3	and	name	HN)	3.5	1.8	1
assign	(residue	4	and	name	HG2)	(residue	4	and	name	HA)	3.5	1.8	1
assign	(residue	4	and	name	HG2)	(residue	5	and	name	HN)	3.5	1.8	1
assign	(residue	4	and	name	HG2)	(residue	6	and	name	HN)	3.5	1.8	1
assign	(residue	4	and	name	HN)	(residue	3	and	name	HN)	3.5	1.8	1
assign	(residue	4	and	name	HN)	(residue	5	and	name	HN)	3.5	1.8	1
assign	(residue	5	and	name	HA)	(residue	5	and	name	HN)	3.5	1.8	1
assign	(residue	5	and	name	HB#)	(residue	5	and	name	HA)	3.5	1.8	1
assign	(residue	5	and	name	HB#)	(residue	5	and	name	HE)	3.5	1.8	1
assign	(residue	5	and	name	HB#)	(residue	5	and	name	HN)	3.5	1.8	1
assign	(residue	5	and	name	HD#)	(residue	5	and	name	HE)	3.5	1.8	1
assign	(residue	5	and	name	HG2)	(residue	4	and	name	HA)	3.5	1.8	1
assign	(residue	5	and	name	HG2)	(residue	5	and	name	HN)	3.5	1.8	1
assign	(residue	5	and	name	HG3)	(residue	5	and	name	HN)	3.5	1.8	1
assign	(residue	5	and	name	HN)	(residue	4	and	name	HN)	3.5	1.8	1
assign	(residue	5	and	name	HN)	(residue	6	and	name	HN)	3.5	1.8	1
assign	(residue	6	and	name	HA)	(residue	6	and	name	HN)	3.5	1.8	1
assign	(residue	6	and	name	HN)	(residue	5	and	name	HN)	3.5	1.8	1
assign	(residue	6	and	name	HN)	(residue	7	and	name	HN)	3.5	1.8	1
assign	(residue	7	and	name	HA)	(residue	7	and	name	HN)	3.5	1.8	1
assign	(residue	7	and	name	HB)	(residue	4	and	name	HA)	3.5	1.8	1
assign	(residue	7	and	name	HB)	(residue	6	and	name	HN)	3.5	1.8	1
assign	(residue	7	and	name	HB)	(residue	8	and	name	HN)	3.5	1.8	1
assign	(residue	7	and	name	HG2)	(residue	5	and	name	HA)	3.5	1.8	1
assign	(residue	7	and	name	HG2)	(residue	8	and	name	HN)	3.5	1.8	1
assign	(residue	7	and	name	HN)	(residue	6	and	name	HN)	3.5	1.8	1
assign	(residue	8	and	name	HA)	(residue	7	and	name	HN)	3.5	1.8	1
assign	(residue	8	and	name	HA)	(residue	8	and	name	HN)	3.5	1.8	1
assign	(residue	8	and	name	HA)	(residue	11	and	name	HN)	3.5	1.8	1
assign	(residue	8	and	name	HB#)	(residue	7	and	name	HA)	3.5	1.8	1
assign	(residue	8	and	name	HB#)	(residue	8	and	name	HN)	3.5	1.8	1
assign	(residue	8	and	name	HG)	(residue	8	and	name	HA)	3.5	1.8	1
assign	(residue	8	and	name	HG)	(residue	8	and	name	HN)	3.5	1.8	1
assign	(residue	8	and	name	HN)	(residue	7	and	name	HN)	3.5	1.8	1
assign	(residue	8	and	name	HN)	(residue	9	and	name	HN)	3.5	1.8	1
assign	(residue	9	and	name	HB#)	(residue	9	and	name	HA)	3.5	1.8	1
assign	(residue	9	and	name	HB#)	(residue	9	and	name	HD2)	3.5	1.8	1
assign	(residue	9	and	name	HB#)	(residue	9	and	name	HE)	3.5	1.8	1
assign	(residue	9	and	name	HD2)	(residue	9	and	name	HE)	3.5	1.8	1
assign	(residue	9	and	name	HD3)	(residue	9	and	name	HE)	3.5	1.8	1
assign	(residue	9	and	name	HD3)	(residue	9	and	name	HN)	3.5	1.8	1
assign	(residue	9	and	name	HG2)	(residue	7	and	name	HA)	3.5	1.8	1
assign	(residue	9	and	name	HG2)	(residue	9	and	name	HA)	3.5	1.8	1
assign	(residue	9	and	name	HG3)	(residue	6	and	name	HN)	3.5	1.8	1
assign	(residue	9	and	name	HG3)	(residue	7	and	name	HN)	3.5	1.8	1
assign	(residue	9	and	name	HG3)	(residue	9	and	name	HD3)	3.5	1.8	1
assign	(residue	9	and	name	HG3)	(residue	9	and	name	HN)	3.5	1.8	1
assign	(residue	9	and	name	HN)	(residue	8	and	name	HN)	3.5	1.8	1
assign	(residue	9	and	name	HN)	(residue	10	and	name	HN)	3.5	1.8	1
assign	(residue	10	and	name	HA)	(residue	10	and	name	HN)	3.5	1.8	1
assign	(residue	10	and	name	HG)	(residue	10	and	name	HA)	3.5	1.8	1
assign	(residue	10	and	name	HG)	(residue	10	and	name	HN)	3.5	1.8	1
assign	(residue	10	and	name	HN)	(residue	8	and	name	HN)	3.5	1.8	1
assign	(residue	10	and	name	HN)	(residue	9	and	name	HN)	3.5	1.8	1
assign	(residue	10	and	name	HN)	(residue	11	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HA)	(residue	11	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HA)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HG)	(residue	9	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HG)	(residue	10	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HG)	(residue	11	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HG)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HN)	(residue	10	and	name	HN)	3.5	1.8	1
assign	(residue	11	and	name	HN)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	12	and	name	HA)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	12	and	name	HB2)	(residue	9	and	name	HD3)	3.5	1.8	1
assign	(residue	12	and	name	HB3)	(residue	9	and	name	HD3)	3.5	1.8	1
assign	(residue	12	and	name	HB3)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	12	and	name	HD#)	(residue	12	and	name	HE)	3.5	1.8	1
assign	(residue	12	and	name	HG#)	(residue	12	and	name	HE)	3.5	1.8	1
assign	(residue	12	and	name	HG#)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	12	and	name	HH1#)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	12	and	name	HH2#)	(residue	12	and	name	HN)	3.5	1.8	1
assign	(residue	12	and	name	HN)	(residue	11	and	name	HN)	3.5	1.8	1
# Restraints file 2: RR12_S3.txt
assign	(residue	3	and	name	HB2)	(residue	3	and	name	HN)	2.5	0.8	1
assign	(residue	3	and	name	HB3)	(residue	3	and	name	HN)	2.5	0.8	1
assign	(residue	4	and	name	HG2)	(residue	4	and	name	HN)	2.5	0.8	1
assign	(residue	4	and	name	HG2)	(residue	6	and	name	HA)	2.5	0.8	1
assign	(residue	5	and	name	HB#)	(residue	5	and	name	HD#)	2.5	0.8	1
assign	(residue	5	and	name	HB#)	(residue	6	and	name	HN)	2.5	0.8	1
assign	(residue	5	and	name	HG2)	(residue	5	and	name	HE)	2.5	0.8	1
assign	(residue	5	and	name	HG3)	(residue	5	and	name	HD#)	2.5	0.8	1
assign	(residue	5	and	name	HG3)	(residue	5	and	name	HE)	2.5	0.8	1
assign	(residue	6	and	name	HA)	(residue	9	and	name	HN)	2.5	0.8	1
assign	(residue	6	and	name	HB#)	(residue	6	and	name	HN)	2.5	0.8	1
assign	(residue	7	and	name	HB)	(residue	5	and	name	HN)	2.5	0.8	1
assign	(residue	7	and	name	HB)	(residue	7	and	name	HN)	2.5	0.8	1
assign	(residue	7	and	name	HG2)	(residue	7	and	name	HN)	2.5	0.8	1
assign	(residue	8	and	name	HA)	(residue	9	and	name	HN)	2.5	0.8	1
assign	(residue	8	and	name	HA)	(residue	12	and	name	HN)	2.5	0.8	1
assign	(residue	8	and	name	HB#)	(residue	5	and	name	HA)	2.5	0.8	1
assign	(residue	8	and	name	HB#)	(residue	7	and	name	HN)	2.5	0.8	1
assign	(residue	8	and	name	HB#)	(residue	8	and	name	HA)	2.5	0.8	1
assign	(residue	8	and	name	HG)	(residue	5	and	name	HA)	2.5	0.8	1
assign	(residue	9	and	name	HA)	(residue	9	and	name	HE)	2.5	0.8	1
assign	(residue	9	and	name	HA)	(residue	9	and	name	HN)	2.5	0.8	1
assign	(residue	9	and	name	HA)	(residue	10	and	name	HN)	2.5	0.8	1
assign	(residue	9	and	name	HA)	(residue	12	and	name	HN)	2.5	0.8	1
assign	(residue	9	and	name	HB#)	(residue	8	and	name	HA)	2.5	0.8	1
assign	(residue	9	and	name	HB#)	(residue	9	and	name	HN)	2.5	0.8	1
assign	(residue	9	and	name	HB#)	(residue	10	and	name	HN)	2.5	0.8	1
assign	(residue	9	and	name	HG2)	(residue	5	and	name	HA)	2.5	0.8	1
assign	(residue	9	and	name	HG2)	(residue	5	and	name	HD#)	2.5	0.8	1
assign	(residue	9	and	name	HG2)	(residue	7	and	name	HN)	2.5	0.8	1
assign	(residue	9	and	name	HG2)	(residue	9	and	name	HN)	2.5	0.8	1
assign	(residue	9	and	name	HG3)	(residue	9	and	name	HE)	2.5	0.8	1
assign	(residue	10	and	name	HB#)	(residue	10	and	name	HN)	2.5	0.8	1
assign	(residue	11	and	name	HB#)	(residue	9	and	name	HN)	2.5	0.8	1
assign	(residue	11	and	name	HB#)	(residue	10	and	name	HN)	2.5	0.8	1
assign	(residue	11	and	name	HB#)	(residue	11	and	name	HN)	2.5	0.8	1
assign	(residue	11	and	name	HG)	(residue	11	and	name	HA)	2.5	0.8	1
assign	(residue	12	and	name	HB2)	(residue	12	and	name	HN)	2.5	0.8	1
assign	(residue	12	and	name	HB3)	(residue	12	and	name	HB#)	2.5	0.8	1
assign	(residue	12	and	name	HB3)	(residue	12	and	name	HE)	2.5	0.8	1
assign	(residue	12	and	name	HH1#)	(residue	12	and	name	HH2#)	2.5	0.8	1
assign	(residue	12	and	name	HH2#)	(residue	12	and	name	HH1#)	2.5	0.8	1
assign	(residue	12	and	name	HH2#)	(residue	12	and	name	HH2#)	2.5	0.8	1
# Restraints file 3: RR12_W3.txt
assign	(residue	1	and	name	HA)	(residue	1	and	name	HE)	4.5	2.8	1.5
assign	(residue	1	and	name	HA)	(residue	2	and	name	HN)	4.5	2.8	1.5
assign	(residue	1	and	name	HB)	(residue	3	and	name	HN)	4.5	2.8	1.5
assign	(residue	1	and	name	HB2)	(residue	1	and	name	HA)	4.5	2.8	1.5
assign	(residue	1	and	name	HB2)	(residue	1	and	name	HE)	4.5	2.8	1.5
assign	(residue	1	and	name	HB2)	(residue	2	and	name	HN)	4.5	2.8	1.5
assign	(residue	1	and	name	HB3)	(residue	1	and	name	HA)	4.5	2.8	1.5
assign	(residue	1	and	name	HB3)	(residue	1	and	name	HD2)	4.5	2.8	1.5
assign	(residue	1	and	name	HB3)	(residue	1	and	name	HE)	4.5	2.8	1.5
assign	(residue	1	and	name	HB3)	(residue	3	and	name	HN)	4.5	2.8	1.5
assign	(residue	2	and	name	HA)	(residue	2	and	name	HE)	4.5	2.8	1.5
assign	(residue	2	and	name	HA)	(residue	2	and	name	HN)	4.5	2.8	1.5
assign	(residue	2	and	name	HA)	(residue	4	and	name	HN)	4.5	2.8	1.5
assign	(residue	2	and	name	HA)	(residue	5	and	name	HN)	4.5	2.8	1.5
assign	(residue	2	and	name	HA)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	2	and	name	HB#)	(residue	2	and	name	HN)	4.5	2.8	1.5
assign	(residue	3	and	name	HA)	(residue	5	and	name	HN)	4.5	2.8	1.5
assign	(residue	3	and	name	HN)	(residue	5	and	name	HN)	4.5	2.8	1.5
assign	(residue	3	and	name	HN)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	4	and	name	HA)	(residue	3	and	name	HN)	4.5	2.8	1.5
assign	(residue	4	and	name	HA)	(residue	5	and	name	HN)	4.5	2.8	1.5
assign	(residue	4	and	name	HA)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	4	and	name	HA)	(residue	8	and	name	HN)	4.5	2.8	1.5
assign	(residue	5	and	name	HA)	(residue	5	and	name	HE)	4.5	2.8	1.5
assign	(residue	5	and	name	HA)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	5	and	name	HD#)	(residue	3	and	name	HN)	4.5	2.8	1.5
assign	(residue	5	and	name	HD#)	(residue	5	and	name	HA)	4.5	2.8	1.5
assign	(residue	5	and	name	HD#)	(residue	5	and	name	HN)	4.5	2.8	1.5
assign	(residue	5	and	name	HD#)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	5	and	name	HG#)	(residue	5	and	name	HA)	4.5	2.8	1.5
assign	(residue	5	and	name	HG3)	(residue	9	and	name	HA)	4.5	2.8	1.5
assign	(residue	5	and	name	HG3)	(residue	9	and	name	HB#)	4.5	2.8	1.5
assign	(residue	5	and	name	HN)	(residue	3	and	name	HN)	4.5	2.8	1.5
assign	(residue	5	and	name	HN)	(residue	7	and	name	HN)	4.5	2.8	1.5
assign	(residue	5	and	name	HN)	(residue	8	and	name	HN)	4.5	2.8	1.5
assign	(residue	6	and	name	HA)	(residue	8	and	name	HN)	4.5	2.8	1.5
assign	(residue	6	and	name	HN)	(residue	3	and	name	HN)	4.5	2.8	1.5
assign	(residue	6	and	name	HN)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	6	and	name	HN)	(residue	8	and	name	HN)	4.5	2.8	1.5
assign	(residue	7	and	name	HA)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	7	and	name	HA)	(residue	8	and	name	HN)	4.5	2.8	1.5
assign	(residue	7	and	name	HA)	(residue	9	and	name	HN)	4.5	2.8	1.5
assign	(residue	7	and	name	HA)	(residue	11	and	name	HN)	4.5	2.8	1.5
assign	(residue	7	and	name	HA)	(residue	12	and	name	HN)	4.5	2.8	1.5
assign	(residue	7	and	name	HN)	(residue	5	and	name	HN)	4.5	2.8	1.5
assign	(residue	8	and	name	HG)	(residue	9	and	name	HD3)	4.5	2.8	1.5
assign	(residue	8	and	name	HN)	(residue	5	and	name	HN)	4.5	2.8	1.5
assign	(residue	8	and	name	HN)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	9	and	name	HB#)	(residue	6	and	name	HA)	4.5	2.8	1.5
assign	(residue	9	and	name	HB#)	(residue	11	and	name	HN)	4.5	2.8	1.5
assign	(residue	9	and	name	HD2)	(residue	9	and	name	HN)	4.5	2.8	1.5
assign	(residue	9	and	name	HD3)	(residue	9	and	name	HA)	4.5	2.8	1.5
assign	(residue	9	and	name	HG2)	(residue	9	and	name	HB#)	4.5	2.8	1.5
assign	(residue	9	and	name	HG2)	(residue	9	and	name	HE)	4.5	2.8	1.5
assign	(residue	9	and	name	HG3)	(residue	12	and	name	HB#)	4.5	2.8	1.5
assign	(residue	9	and	name	HN)	(residue	6	and	name	HN)	4.5	2.8	1.5
assign	(residue	10	and	name	HG)	(residue	7	and	name	HA)	4.5	2.8	1.5
assign	(residue	11	and	name	HA)	(residue	12	and	name	HH1#)	4.5	2.8	1.5
assign	(residue	11	and	name	HA)	(residue	12	and	name	HH2#)	4.5	2.8	1.5
assign	(residue	11	and	name	HG)	(residue	7	and	name	HB)	4.5	2.8	1.5
assign	(residue	12	and	name	HA)	(residue	11	and	name	HN)	4.5	2.8	1.5
assign	(residue	12	and	name	HA)	(residue	12	and	name	HE)	4.5	2.8	1.5
assign	(residue	12	and	name	HA)	(residue	12	and	name	HH1#)	4.5	2.8	1.5
assign	(residue	12	and	name	HA)	(residue	12	and	name	HH2#)	4.5	2.8	1.5
assign	(residue	12	and	name	HB2)	(residue	12	and	name	HE)	4.5	2.8	1.5
assign	(residue	12	and	name	HB2)	(residue	12	and	name	HH2#)	4.5	2.8	1.5
assign	(residue	12	and	name	HB3)	(residue	12	and	name	HH1#)	4.5	2.8	1.5
assign	(residue	12	and	name	HB3)	(residue	12	and	name	HH2#)	4.5	2.8	1.5
assign	(residue	12	and	name	HD#)	(residue	12	and	name	HN)	4.5	2.8	1.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  -8.868   2.616   1.692
    2    H2   ARG   1           HT2      ARG   1  -9.797   2.050   3.018
    3    H3   ARG   1           HT3      ARG   1 -10.097   1.448   1.439
    4    HA   ARG   1           HA       ARG   1  -7.819   0.953   3.213
    5    HB2  ARG   1           HB2      ARG   1  -9.784  -0.776   1.696
    6    HB3  ARG   1           HB1      ARG   1  -8.435  -1.397   2.638
    7    HG2  ARG   1           HG2      ARG   1  -9.391  -0.757   4.660
    8    HG3  ARG   1           HG1      ARG   1 -10.494   0.382   3.886
    9    HD2  ARG   1           HD2      ARG   1 -11.189  -1.996   2.718
   10    HD3  ARG   1           HD1      ARG   1 -10.778  -2.490   4.360
   11    HE   ARG   1           HE       ARG   1 -12.647  -1.407   5.124
   12   HH11  ARG   1          HH11      ARG   1 -12.010  -0.402   1.843
   13   HH12  ARG   1          HH12      ARG   1 -13.508   0.452   1.682
   14   HH21  ARG   1          HH21      ARG   1 -14.618  -0.286   4.913
   15   HH22  ARG   1          HH22      ARG   1 -14.988   0.519   3.425
   16    H    ARG   2           HN       ARG   2  -6.115  -0.392   2.287
   17    HA   ARG   2           HA       ARG   2  -4.508  -0.875   0.753
   18    HB2  ARG   2           HB2      ARG   2  -6.464  -0.230  -1.442
   19    HB3  ARG   2           HB1      ARG   2  -5.104  -1.341  -1.488
   20    HG2  ARG   2           HG2      ARG   2  -6.272  -3.028  -0.556
   21    HG3  ARG   2           HG1      ARG   2  -7.197  -1.955   0.495
   22    HD2  ARG   2           HD2      ARG   2  -7.651  -2.505  -2.432
   23    HD3  ARG   2           HD1      ARG   2  -8.707  -2.922  -1.083
   24    HE   ARG   2           HE       ARG   2  -8.396  -0.170  -1.035
   25   HH11  ARG   2          HH11      ARG   2  -9.710  -2.576  -3.193
   26   HH12  ARG   2          HH12      ARG   2 -10.879  -1.501  -3.882
   27   HH21  ARG   2          HH21      ARG   2  -9.931   1.248  -1.941
   28   HH22  ARG   2          HH22      ARG   2 -11.004   0.670  -3.172
   29    H    LEU   3           HN       LEU   3  -5.007   1.853   1.727
   30    HA   LEU   3           HA       LEU   3  -4.249   3.580  -0.488
   31    HB2  LEU   3           HB2      LEU   3  -3.998   5.230   1.572
   32    HB3  LEU   3           HB1      LEU   3  -5.556   4.863   0.864
   33    HG   LEU   3           HG       LEU   3  -4.677   3.145   3.119
   34   HD11  LEU   3          HD11      LEU   3  -5.387   4.758   4.783
   35   HD12  LEU   3          HD12      LEU   3  -5.647   5.968   3.526
   36   HD13  LEU   3          HD13      LEU   3  -4.017   5.384   3.865
   37   HD21  LEU   3          HD21      LEU   3  -6.770   2.532   2.529
   38   HD22  LEU   3          HD22      LEU   3  -7.173   4.118   1.873
   39   HD23  LEU   3          HD23      LEU   3  -7.207   3.849   3.617
   40    H    ILE   4           HN       ILE   4  -2.924   2.817   2.691
   41    HA   ILE   4           HA       ILE   4  -0.325   3.748   2.142
   42    HB   ILE   4           HB       ILE   4   0.335   2.596   4.219
   43   HG12  ILE   4          HG12      ILE   4  -2.541   1.817   4.595
   44   HG13  ILE   4          HG11      ILE   4  -1.440   0.741   3.741
   45   HG21  ILE   4          HG21      ILE   4  -0.607   4.167   5.569
   46   HG22  ILE   4          HG22      ILE   4  -2.226   3.919   4.916
   47   HG23  ILE   4          HG23      ILE   4  -1.041   4.853   4.003
   48   HD11  ILE   4          HD11      ILE   4  -1.080  -0.094   5.785
   49   HD12  ILE   4          HD12      ILE   4  -1.633   1.371   6.596
   50   HD13  ILE   4          HD13      ILE   4   0.008   1.284   5.955
   51    H    ARG   5           HN       ARG   5  -1.983   1.025   1.360
   52    HA   ARG   5           HA       ARG   5   0.079  -0.901   1.270
   53    HB2  ARG   5           HB2      ARG   5  -2.696  -0.799   0.121
   54    HB3  ARG   5           HB1      ARG   5  -1.666  -2.239   0.124
   55    HG2  ARG   5           HG2      ARG   5  -2.325  -0.645   2.573
   56    HG3  ARG   5           HG1      ARG   5  -3.236  -2.106   2.057
   57    HD2  ARG   5           HD2      ARG   5  -0.435  -2.631   1.883
   58    HD3  ARG   5           HD1      ARG   5  -0.795  -1.955   3.487
   59    HE   ARG   5           HE       ARG   5  -2.588  -4.065   2.696
   60   HH11  ARG   5          HH11      ARG   5   0.460  -3.325   4.225
   61   HH12  ARG   5          HH12      ARG   5   0.512  -4.805   5.122
   62   HH21  ARG   5          HH21      ARG   5  -2.522  -6.014   3.873
   63   HH22  ARG   5          HH22      ARG   5  -1.180  -6.333   4.922
   64    H    LEU   6           HN       LEU   6  -1.839   0.466  -1.432
   65    HA   LEU   6           HA       LEU   6  -0.218  -0.469  -3.463
   66    HB2  LEU   6           HB2      LEU   6  -2.148   1.700  -3.162
   67    HB3  LEU   6           HB1      LEU   6  -0.864   2.125  -4.277
   68    HG   LEU   6           HG       LEU   6  -2.856   1.147  -5.385
   69   HD11  LEU   6          HD11      LEU   6  -1.405  -0.810  -6.462
   70   HD12  LEU   6          HD12      LEU   6  -0.122   0.033  -5.593
   71   HD13  LEU   6          HD13      LEU   6  -1.092   0.895  -6.787
   72   HD21  LEU   6          HD21      LEU   6  -3.063  -0.531  -3.344
   73   HD22  LEU   6          HD22      LEU   6  -2.101  -1.553  -4.411
   74   HD23  LEU   6          HD23      LEU   6  -3.663  -0.938  -4.951
   75    H    ILE   7           HN       ILE   7   0.409   1.645  -0.963
   76    HA   ILE   7           HA       ILE   7   2.694   2.841  -2.128
   77    HB   ILE   7           HB       ILE   7   1.001   3.216   0.291
   78   HG12  ILE   7          HG12      ILE   7   1.433   5.672  -0.358
   79   HG13  ILE   7          HG11      ILE   7   2.201   5.040  -1.811
   80   HG21  ILE   7          HG21      ILE   7   2.713   4.720   1.320
   81   HG22  ILE   7          HG22      ILE   7   3.893   4.131   0.150
   82   HG23  ILE   7          HG23      ILE   7   3.179   3.019   1.318
   83   HD11  ILE   7          HD11      ILE   7   0.184   5.091  -2.729
   84   HD12  ILE   7          HD12      ILE   7  -0.603   5.333  -1.169
   85   HD13  ILE   7          HD13      ILE   7  -0.208   3.703  -1.714
   86    H    LEU   8           HN       LEU   8   1.739   0.875   0.462
   87    HA   LEU   8           HA       LEU   8   4.201   0.207   1.454
   88    HB2  LEU   8           HB2      LEU   8   1.682  -0.133   2.132
   89    HB3  LEU   8           HB1      LEU   8   2.009  -1.729   1.505
   90    HG   LEU   8           HG       LEU   8   2.250  -1.527   3.986
   91   HD11  LEU   8          HD11      LEU   8   3.656  -3.036   2.257
   92   HD12  LEU   8          HD12      LEU   8   3.813  -3.149   4.010
   93   HD13  LEU   8          HD13      LEU   8   4.971  -2.197   3.080
   94   HD21  LEU   8          HD21      LEU   8   3.289   0.798   3.793
   95   HD22  LEU   8          HD22      LEU   8   4.798  -0.039   3.429
   96   HD23  LEU   8          HD23      LEU   8   3.992  -0.307   4.974
   97    H    ARG   9           HN       ARG   9   2.739  -0.580  -1.333
   98    HA   ARG   9           HA       ARG   9   3.785  -3.174  -1.807
   99    HB2  ARG   9           HB2      ARG   9   2.564  -1.014  -3.458
  100    HB3  ARG   9           HB1      ARG   9   2.777  -2.677  -4.020
  101    HG2  ARG   9           HG2      ARG   9   1.114  -1.760  -1.661
  102    HG3  ARG   9           HG1      ARG   9   0.483  -2.241  -3.256
  103    HD2  ARG   9           HD2      ARG   9   1.813  -3.958  -1.177
  104    HD3  ARG   9           HD1      ARG   9   0.206  -4.135  -1.879
  105    HE   ARG   9           HE       ARG   9   2.677  -5.117  -2.947
  106   HH11  ARG   9          HH11      ARG   9  -0.546  -4.058  -3.769
  107   HH12  ARG   9          HH12      ARG   9  -0.602  -4.962  -5.244
  108   HH21  ARG   9          HH21      ARG   9   2.605  -6.307  -4.887
  109   HH22  ARG   9          HH22      ARG   9   1.187  -6.239  -5.879
  110    H    LEU  10           HN       LEU  10   4.509   0.084  -2.986
  111    HA   LEU  10           HA       LEU  10   6.870  -0.840  -4.421
  112    HB2  LEU  10           HB2      LEU  10   5.831   1.968  -3.965
  113    HB3  LEU  10           HB1      LEU  10   7.141   1.526  -5.044
  114    HG   LEU  10           HG       LEU  10   4.233   0.781  -5.355
  115   HD11  LEU  10          HD11      LEU  10   5.988   2.873  -6.492
  116   HD12  LEU  10          HD12      LEU  10   4.254   2.895  -6.167
  117   HD13  LEU  10          HD13      LEU  10   4.872   2.073  -7.599
  118   HD21  LEU  10          HD21      LEU  10   5.247   0.042  -7.669
  119   HD22  LEU  10          HD22      LEU  10   5.231  -1.054  -6.287
  120   HD23  LEU  10          HD23      LEU  10   6.706  -0.181  -6.702
  121    H    LEU  11           HN       LEU  11   5.844   0.474  -1.488
  122    HA   LEU  11           HA       LEU  11   8.293   1.508  -0.475
  123    HB2  LEU  11           HB2      LEU  11   5.580   0.787   0.533
  124    HB3  LEU  11           HB1      LEU  11   6.851   1.129   1.704
  125    HG   LEU  11           HG       LEU  11   5.422   2.951  -0.165
  126   HD11  LEU  11          HD11      LEU  11   6.461   3.433   2.616
  127   HD12  LEU  11          HD12      LEU  11   4.899   2.685   2.283
  128   HD13  LEU  11          HD13      LEU  11   5.220   4.335   1.746
  129   HD21  LEU  11          HD21      LEU  11   8.246   3.383   0.797
  130   HD22  LEU  11          HD22      LEU  11   7.199   4.676   0.213
  131   HD23  LEU  11          HD23      LEU  11   7.667   3.364  -0.870
  132    H    ARG  12           HN       ARG  12   6.454  -1.482  -0.197
  133    HA   ARG  12           HA       ARG  12   7.095  -3.616   0.331
  134    HB2  ARG  12           HB2      ARG  12   9.378  -2.637  -0.707
  135    HB3  ARG  12           HB1      ARG  12   9.911  -2.919   0.944
  136    HG2  ARG  12           HG2      ARG  12   9.965  -5.132   0.672
  137    HG3  ARG  12           HG1      ARG  12   8.427  -5.157  -0.190
  138    HD2  ARG  12           HD2      ARG  12  11.073  -4.348  -1.391
  139    HD3  ARG  12           HD1      ARG  12  10.324  -5.932  -1.570
  140    HE   ARG  12           HE       ARG  12   8.670  -4.978  -2.940
  141   HH11  ARG  12          HH11      ARG  12  11.043  -2.620  -1.919
  142   HH12  ARG  12          HH12      ARG  12  10.601  -1.473  -3.136
  143   HH21  ARG  12          HH21      ARG  12   8.093  -3.466  -4.531
  144   HH22  ARG  12          HH22      ARG  12   8.928  -1.951  -4.617
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1  -9.741   2.112   1.461
    2    H2   ARG   1           HT2      ARG   1  -8.328   2.923   2.002
    3    H3   ARG   1           HT3      ARG   1  -9.436   2.270   3.140
    4    HA   ARG   1           HA       ARG   1  -7.715   0.785   3.108
    5    HB2  ARG   1           HB2      ARG   1 -10.027  -0.010   1.355
    6    HB3  ARG   1           HB1      ARG   1  -8.758  -1.161   1.752
    7    HG2  ARG   1           HG2      ARG   1  -9.617  -1.541   3.761
    8    HG3  ARG   1           HG1      ARG   1  -9.723   0.184   4.116
    9    HD2  ARG   1           HD2      ARG   1 -11.710  -1.290   2.399
   10    HD3  ARG   1           HD1      ARG   1 -11.909  -1.058   4.136
   11    HE   ARG   1           HE       ARG   1 -11.442   1.436   2.954
   12   HH11  ARG   1          HH11      ARG   1 -13.892  -1.048   3.028
   13   HH12  ARG   1          HH12      ARG   1 -15.195   0.054   2.735
   14   HH21  ARG   1          HH21      ARG   1 -13.154   2.887   2.569
   15   HH22  ARG   1          HH22      ARG   1 -14.777   2.288   2.474
   16    H    ARG   2           HN       ARG   2  -6.174  -0.537   1.979
   17    HA   ARG   2           HA       ARG   2  -4.496  -0.846   0.479
   18    HB2  ARG   2           HB2      ARG   2  -6.444   0.020  -1.651
   19    HB3  ARG   2           HB1      ARG   2  -5.085  -1.082  -1.813
   20    HG2  ARG   2           HG2      ARG   2  -6.265  -2.846  -1.098
   21    HG3  ARG   2           HG1      ARG   2  -7.101  -1.916   0.146
   22    HD2  ARG   2           HD2      ARG   2  -7.736  -1.941  -2.803
   23    HD3  ARG   2           HD1      ARG   2  -8.672  -2.718  -1.527
   24    HE   ARG   2           HE       ARG   2  -8.348   0.097  -1.113
   25   HH11  ARG   2          HH11      ARG   2 -10.233  -2.319  -2.782
   26   HH12  ARG   2          HH12      ARG   2 -11.634  -1.311  -2.920
   27   HH21  ARG   2          HH21      ARG   2 -10.190   1.424  -1.292
   28   HH22  ARG   2          HH22      ARG   2 -11.610   0.814  -2.074
   29    H    LEU   3           HN       LEU   3  -5.076   1.891   1.587
   30    HA   LEU   3           HA       LEU   3  -4.125   3.682  -0.478
   31    HB2  LEU   3           HB2      LEU   3  -4.539   5.424   1.035
   32    HB3  LEU   3           HB1      LEU   3  -5.849   4.297   1.266
   33    HG   LEU   3           HG       LEU   3  -3.454   4.281   3.081
   34   HD11  LEU   3          HD11      LEU   3  -5.241   5.605   4.549
   35   HD12  LEU   3          HD12      LEU   3  -5.671   6.228   2.956
   36   HD13  LEU   3          HD13      LEU   3  -4.025   6.414   3.560
   37   HD21  LEU   3          HD21      LEU   3  -4.589   2.475   3.781
   38   HD22  LEU   3          HD22      LEU   3  -6.063   2.961   2.943
   39   HD23  LEU   3          HD23      LEU   3  -5.682   3.642   4.524
   40    H    ILE   4           HN       ILE   4  -3.060   2.386   2.593
   41    HA   ILE   4           HA       ILE   4  -0.408   3.439   2.374
   42    HB   ILE   4           HB       ILE   4   0.044   2.127   4.431
   43   HG12  ILE   4          HG12      ILE   4  -2.903   1.523   4.497
   44   HG13  ILE   4          HG11      ILE   4  -1.763   0.399   3.764
   45   HG21  ILE   4          HG21      ILE   4  -0.885   3.703   5.781
   46   HG22  ILE   4          HG22      ILE   4  -2.468   3.590   5.012
   47   HG23  ILE   4          HG23      ILE   4  -1.167   4.482   4.224
   48   HD11  ILE   4          HD11      ILE   4  -1.696  -0.474   5.823
   49   HD12  ILE   4          HD12      ILE   4  -2.269   1.010   6.585
   50   HD13  ILE   4          HD13      ILE   4  -0.569   0.843   6.145
   51    H    ARG   5           HN       ARG   5  -2.072   0.810   1.308
   52    HA   ARG   5           HA       ARG   5   0.003  -1.136   1.268
   53    HB2  ARG   5           HB2      ARG   5  -2.707  -1.037  -0.034
   54    HB3  ARG   5           HB1      ARG   5  -1.676  -2.470   0.080
   55    HG2  ARG   5           HG2      ARG   5  -2.590  -0.843   2.428
   56    HG3  ARG   5           HG1      ARG   5  -3.380  -2.356   1.874
   57    HD2  ARG   5           HD2      ARG   5  -0.563  -2.760   1.975
   58    HD3  ARG   5           HD1      ARG   5  -1.086  -2.033   3.511
   59    HE   ARG   5           HE       ARG   5  -2.770  -4.206   2.734
   60   HH11  ARG   5          HH11      ARG   5   0.289  -3.435   4.227
   61   HH12  ARG   5          HH12      ARG   5   0.360  -4.909   5.134
   62   HH21  ARG   5          HH21      ARG   5  -2.678  -6.144   3.926
   63   HH22  ARG   5          HH22      ARG   5  -1.324  -6.447   4.962
   64    H    LEU   6           HN       LEU   6  -1.878   0.268  -1.422
   65    HA   LEU   6           HA       LEU   6  -0.197  -0.543  -3.452
   66    HB2  LEU   6           HB2      LEU   6  -2.147   1.635  -3.091
   67    HB3  LEU   6           HB1      LEU   6  -0.909   1.986  -4.281
   68    HG   LEU   6           HG       LEU   6  -2.978   1.014  -5.249
   69   HD11  LEU   6          HD11      LEU   6  -1.637  -0.996  -6.345
   70   HD12  LEU   6          HD12      LEU   6  -0.285  -0.187  -5.552
   71   HD13  LEU   6          HD13      LEU   6  -1.276   0.690  -6.719
   72   HD21  LEU   6          HD21      LEU   6  -3.075  -0.602  -3.131
   73   HD22  LEU   6          HD22      LEU   6  -2.242  -1.675  -4.255
   74   HD23  LEU   6          HD23      LEU   6  -3.821  -1.012  -4.676
   75    H    ILE   7           HN       ILE   7   0.343   1.528  -0.886
   76    HA   ILE   7           HA       ILE   7   2.564   2.832  -2.041
   77    HB   ILE   7           HB       ILE   7   0.867   3.108   0.380
   78   HG12  ILE   7          HG12      ILE   7   1.073   5.546  -0.209
   79   HG13  ILE   7          HG11      ILE   7   2.085   5.093  -1.577
   80   HG21  ILE   7          HG21      ILE   7   3.033   2.969   1.428
   81   HG22  ILE   7          HG22      ILE   7   2.538   4.663   1.428
   82   HG23  ILE   7          HG23      ILE   7   3.737   4.094   0.266
   83   HD11  ILE   7          HD11      ILE   7   0.304   4.680  -2.817
   84   HD12  ILE   7          HD12      ILE   7  -0.695   5.307  -1.506
   85   HD13  ILE   7          HD13      ILE   7  -0.350   3.580  -1.604
   86    H    LEU   8           HN       LEU   8   1.752   0.852   0.593
   87    HA   LEU   8           HA       LEU   8   4.289   0.294   1.450
   88    HB2  LEU   8           HB2      LEU   8   2.595  -0.080   2.936
   89    HB3  LEU   8           HB1      LEU   8   1.615  -0.838   1.708
   90    HG   LEU   8           HG       LEU   8   2.392  -2.357   3.563
   91   HD11  LEU   8          HD11      LEU   8   2.082  -2.857   0.863
   92   HD12  LEU   8          HD12      LEU   8   2.109  -4.052   2.160
   93   HD13  LEU   8          HD13      LEU   8   3.589  -3.671   1.280
   94   HD21  LEU   8          HD21      LEU   8   4.986  -1.418   2.571
   95   HD22  LEU   8          HD22      LEU   8   4.876  -3.162   2.809
   96   HD23  LEU   8          HD23      LEU   8   4.537  -2.066   4.148
   97    H    ARG   9           HN       ARG   9   2.707  -0.608  -1.230
   98    HA   ARG   9           HA       ARG   9   3.792  -3.184  -1.700
   99    HB2  ARG   9           HB2      ARG   9   2.477  -1.070  -3.335
  100    HB3  ARG   9           HB1      ARG   9   2.729  -2.726  -3.904
  101    HG2  ARG   9           HG2      ARG   9   1.096  -1.854  -1.512
  102    HG3  ARG   9           HG1      ARG   9   0.444  -2.376  -3.086
  103    HD2  ARG   9           HD2      ARG   9   1.916  -4.023  -1.042
  104    HD3  ARG   9           HD1      ARG   9   0.279  -4.255  -1.653
  105    HE   ARG   9           HE       ARG   9   2.686  -5.239  -2.806
  106   HH11  ARG   9          HH11      ARG   9  -0.495  -4.048  -3.609
  107   HH12  ARG   9          HH12      ARG   9  -0.576  -4.911  -5.108
  108   HH21  ARG   9          HH21      ARG   9   2.581  -6.374  -4.777
  109   HH22  ARG   9          HH22      ARG   9   1.169  -6.233  -5.770
  110    H    LEU  10           HN       LEU  10   4.416   0.059  -2.971
  111    HA   LEU  10           HA       LEU  10   6.750  -0.858  -4.455
  112    HB2  LEU  10           HB2      LEU  10   5.625   1.924  -4.050
  113    HB3  LEU  10           HB1      LEU  10   6.966   1.524  -5.106
  114    HG   LEU  10           HG       LEU  10   4.110   0.605  -5.441
  115   HD11  LEU  10          HD11      LEU  10   5.712   2.830  -6.545
  116   HD12  LEU  10          HD12      LEU  10   3.978   2.715  -6.246
  117   HD13  LEU  10          HD13      LEU  10   4.679   1.954  -7.674
  118   HD21  LEU  10          HD21      LEU  10   5.213  -0.033  -7.754
  119   HD22  LEU  10          HD22      LEU  10   5.226  -1.146  -6.386
  120   HD23  LEU  10          HD23      LEU  10   6.657  -0.182  -6.753
  121    H    LEU  11           HN       LEU  11   5.793   0.509  -1.527
  122    HA   LEU  11           HA       LEU  11   8.254   1.615  -0.624
  123    HB2  LEU  11           HB2      LEU  11   5.589   0.874   0.493
  124    HB3  LEU  11           HB1      LEU  11   6.889   1.286   1.608
  125    HG   LEU  11           HG       LEU  11   5.363   3.010  -0.282
  126   HD11  LEU  11          HD11      LEU  11   6.452   3.584   2.463
  127   HD12  LEU  11          HD12      LEU  11   4.887   2.825   2.172
  128   HD13  LEU  11          HD13      LEU  11   5.196   4.461   1.590
  129   HD21  LEU  11          HD21      LEU  11   8.201   3.533   0.592
  130   HD22  LEU  11          HD22      LEU  11   7.110   4.786  -0.000
  131   HD23  LEU  11          HD23      LEU  11   7.578   3.453  -1.056
  132    H    ARG  12           HN       ARG  12   6.475  -1.398  -0.200
  133    HA   ARG  12           HA       ARG  12   7.162  -3.501   0.381
  134    HB2  ARG  12           HB2      ARG  12   9.341  -2.605  -0.849
  135    HB3  ARG  12           HB1      ARG  12   9.999  -2.677   0.778
  136    HG2  ARG  12           HG2      ARG  12  10.194  -4.888   0.706
  137    HG3  ARG  12           HG1      ARG  12   8.554  -5.090   0.089
  138    HD2  ARG  12           HD2      ARG  12  10.985  -4.378  -1.549
  139    HD3  ARG  12           HD1      ARG  12  10.222  -5.963  -1.474
  140    HE   ARG  12           HE       ARG  12   8.394  -5.122  -2.695
  141   HH11  ARG  12          HH11      ARG  12  10.893  -2.715  -2.245
  142   HH12  ARG  12          HH12      ARG  12  10.303  -1.695  -3.512
  143   HH21  ARG  12          HH21      ARG  12   7.626  -3.773  -4.355
  144   HH22  ARG  12          HH22      ARG  12   8.454  -2.293  -4.707
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  -8.279   1.851   1.407
    2    H2   ARG   1           HT2      ARG   1  -7.762   2.177   3.011
    3    H3   ARG   1           HT3      ARG   1  -9.377   1.680   2.712
    4    HA   ARG   1           HA       ARG   1  -7.915  -0.044   3.624
    5    HB2  ARG   1           HB2      ARG   1  -9.178  -0.405   0.900
    6    HB3  ARG   1           HB1      ARG   1  -8.703  -1.733   1.949
    7    HG2  ARG   1           HG2      ARG   1 -10.723  -1.645   2.848
    8    HG3  ARG   1           HG1      ARG   1 -10.282  -0.087   3.548
    9    HD2  ARG   1           HD2      ARG   1 -10.941   0.577   0.968
   10    HD3  ARG   1           HD1      ARG   1 -12.085  -0.713   1.337
   11    HE   ARG   1           HE       ARG   1 -12.035   1.936   2.454
   12   HH11  ARG   1          HH11      ARG   1 -13.077  -1.359   2.946
   13   HH12  ARG   1          HH12      ARG   1 -14.354  -0.925   4.032
   14   HH21  ARG   1          HH21      ARG   1 -13.713   2.508   3.883
   15   HH22  ARG   1          HH22      ARG   1 -14.715   1.270   4.564
   16    H    ARG   2           HN       ARG   2  -7.259   0.665   0.185
   17    HA   ARG   2           HA       ARG   2  -4.587  -0.514   0.548
   18    HB2  ARG   2           HB2      ARG   2  -5.903  -0.025  -2.113
   19    HB3  ARG   2           HB1      ARG   2  -4.565  -1.102  -1.738
   20    HG2  ARG   2           HG2      ARG   2  -5.955  -2.790  -1.405
   21    HG3  ARG   2           HG1      ARG   2  -6.858  -1.864  -0.205
   22    HD2  ARG   2           HD2      ARG   2  -7.275  -1.879  -3.191
   23    HD3  ARG   2           HD1      ARG   2  -8.355  -2.537  -1.962
   24    HE   ARG   2           HE       ARG   2  -7.819   0.281  -1.684
   25   HH11  ARG   2          HH11      ARG   2  -9.875  -2.127  -3.155
   26   HH12  ARG   2          HH12      ARG   2 -11.205  -1.040  -3.368
   27   HH21  ARG   2          HH21      ARG   2  -9.570   1.711  -1.966
   28   HH22  ARG   2          HH22      ARG   2 -11.033   1.138  -2.694
   29    H    LEU   3           HN       LEU   3  -5.100   2.115   1.394
   30    HA   LEU   3           HA       LEU   3  -4.106   3.910  -0.648
   31    HB2  LEU   3           HB2      LEU   3  -4.543   5.649   0.862
   32    HB3  LEU   3           HB1      LEU   3  -5.858   4.523   1.073
   33    HG   LEU   3           HG       LEU   3  -3.488   4.498   2.920
   34   HD11  LEU   3          HD11      LEU   3  -4.934   5.896   4.439
   35   HD12  LEU   3          HD12      LEU   3  -5.902   6.281   3.016
   36   HD13  LEU   3          HD13      LEU   3  -4.200   6.740   3.075
   37   HD21  LEU   3          HD21      LEU   3  -4.636   2.704   3.619
   38   HD22  LEU   3          HD22      LEU   3  -6.088   3.178   2.738
   39   HD23  LEU   3          HD23      LEU   3  -5.753   3.873   4.323
   40    H    ILE   4           HN       ILE   4  -3.103   2.597   2.436
   41    HA   ILE   4           HA       ILE   4  -0.431   3.616   2.246
   42    HB   ILE   4           HB       ILE   4  -0.024   2.341   4.331
   43   HG12  ILE   4          HG12      ILE   4  -2.961   1.782   4.487
   44   HG13  ILE   4          HG11      ILE   4  -1.923   0.666   3.606
   45   HG21  ILE   4          HG21      ILE   4  -0.915   3.975   5.614
   46   HG22  ILE   4          HG22      ILE   4  -2.524   3.800   4.914
   47   HG23  ILE   4          HG23      ILE   4  -1.276   4.694   4.045
   48   HD11  ILE   4          HD11      ILE   4  -1.881  -0.296   5.661
   49   HD12  ILE   4          HD12      ILE   4  -2.067   1.239   6.509
   50   HD13  ILE   4          HD13      ILE   4  -0.504   0.793   5.824
   51    H    ARG   5           HN       ARG   5  -2.138   1.018   1.195
   52    HA   ARG   5           HA       ARG   5  -0.127  -0.989   1.208
   53    HB2  ARG   5           HB2      ARG   5  -2.813  -0.798  -0.133
   54    HB3  ARG   5           HB1      ARG   5  -1.828  -2.265  -0.028
   55    HG2  ARG   5           HG2      ARG   5  -2.688  -0.635   2.336
   56    HG3  ARG   5           HG1      ARG   5  -3.549  -2.098   1.754
   57    HD2  ARG   5           HD2      ARG   5  -0.755  -2.642   1.858
   58    HD3  ARG   5           HD1      ARG   5  -1.250  -1.921   3.405
   59    HE   ARG   5           HE       ARG   5  -3.003  -4.022   2.530
   60   HH11  ARG   5          HH11      ARG   5  -0.037  -3.325   4.231
   61   HH12  ARG   5          HH12      ARG   5  -0.074  -4.791   5.151
   62   HH21  ARG   5          HH21      ARG   5  -3.054  -5.951   3.740
   63   HH22  ARG   5          HH22      ARG   5  -1.786  -6.282   4.873
   64    H    LEU   6           HN       LEU   6  -1.903   0.448  -1.539
   65    HA   LEU   6           HA       LEU   6  -0.204  -0.439  -3.523
   66    HB2  LEU   6           HB2      LEU   6  -2.127   1.757  -3.241
   67    HB3  LEU   6           HB1      LEU   6  -0.832   2.125  -4.365
   68    HG   LEU   6           HG       LEU   6  -2.850   1.171  -5.450
   69   HD11  LEU   6          HD11      LEU   6  -1.469  -0.823  -6.513
   70   HD12  LEU   6          HD12      LEU   6  -0.152  -0.049  -5.631
   71   HD13  LEU   6          HD13      LEU   6  -1.067   0.865  -6.830
   72   HD21  LEU   6          HD21      LEU   6  -3.006  -0.497  -3.346
   73   HD22  LEU   6          HD22      LEU   6  -2.197  -1.546  -4.510
   74   HD23  LEU   6          HD23      LEU   6  -3.756  -0.823  -4.908
   75    H    ILE   7           HN       ILE   7   0.343   1.652  -0.973
   76    HA   ILE   7           HA       ILE   7   2.626   2.879  -2.093
   77    HB   ILE   7           HB       ILE   7   0.890   3.222   0.295
   78   HG12  ILE   7          HG12      ILE   7   1.177   5.653  -0.316
   79   HG13  ILE   7          HG11      ILE   7   2.177   5.150  -1.675
   80   HG21  ILE   7          HG21      ILE   7   3.026   3.054   1.388
   81   HG22  ILE   7          HG22      ILE   7   2.584   4.760   1.343
   82   HG23  ILE   7          HG23      ILE   7   3.787   4.131   0.218
   83   HD11  ILE   7          HD11      ILE   7   0.380   4.808  -2.911
   84   HD12  ILE   7          HD12      ILE   7  -0.608   5.428  -1.589
   85   HD13  ILE   7          HD13      ILE   7  -0.284   3.699  -1.712
   86    H    LEU   8           HN       LEU   8   1.693   0.940   0.528
   87    HA   LEU   8           HA       LEU   8   4.196   0.321   1.454
   88    HB2  LEU   8           HB2      LEU   8   2.436   0.028   2.891
   89    HB3  LEU   8           HB1      LEU   8   1.487  -0.752   1.652
   90    HG   LEU   8           HG       LEU   8   2.205  -2.221   3.577
   91   HD11  LEU   8          HD11      LEU   8   1.958  -2.784   0.867
   92   HD12  LEU   8          HD12      LEU   8   1.870  -3.928   2.206
   93   HD13  LEU   8          HD13      LEU   8   3.404  -3.652   1.382
   94   HD21  LEU   8          HD21      LEU   8   4.735  -1.158   2.939
   95   HD22  LEU   8          HD22      LEU   8   4.789  -2.876   2.544
   96   HD23  LEU   8          HD23      LEU   8   4.338  -2.358   4.169
   97    H    ARG   9           HN       ARG   9   2.642  -0.556  -1.248
   98    HA   ARG   9           HA       ARG   9   3.633  -3.171  -1.686
   99    HB2  ARG   9           HB2      ARG   9   2.460  -0.999  -3.351
  100    HB3  ARG   9           HB1      ARG   9   2.672  -2.655  -3.932
  101    HG2  ARG   9           HG2      ARG   9   0.986  -1.751  -1.591
  102    HG3  ARG   9           HG1      ARG   9   0.375  -2.234  -3.191
  103    HD2  ARG   9           HD2      ARG   9   1.828  -3.986  -1.210
  104    HD3  ARG   9           HD1      ARG   9   0.120  -4.072  -1.638
  105    HE   ARG   9           HE       ARG   9   2.298  -5.229  -3.059
  106   HH11  ARG   9          HH11      ARG   9  -0.849  -3.781  -3.488
  107   HH12  ARG   9          HH12      ARG   9  -1.170  -4.618  -4.969
  108   HH21  ARG   9          HH21      ARG   9   1.877  -6.330  -5.007
  109   HH22  ARG   9          HH22      ARG   9   0.377  -6.065  -5.832
  110    H    LEU  10           HN       LEU  10   4.443   0.039  -2.937
  111    HA   LEU  10           HA       LEU  10   6.782  -0.983  -4.342
  112    HB2  LEU  10           HB2      LEU  10   5.840   1.869  -3.953
  113    HB3  LEU  10           HB1      LEU  10   7.118   1.347  -5.035
  114    HG   LEU  10           HG       LEU  10   4.180   0.706  -5.294
  115   HD11  LEU  10          HD11      LEU  10   5.389   3.013  -5.958
  116   HD12  LEU  10          HD12      LEU  10   4.029   2.330  -6.849
  117   HD13  LEU  10          HD13      LEU  10   5.676   2.081  -7.428
  118   HD21  LEU  10          HD21      LEU  10   5.238  -0.074  -7.626
  119   HD22  LEU  10          HD22      LEU  10   5.004  -1.165  -6.261
  120   HD23  LEU  10          HD23      LEU  10   6.589  -0.449  -6.555
  121    H    LEU  11           HN       LEU  11   5.781   0.531  -1.478
  122    HA   LEU  11           HA       LEU  11   8.238   1.495  -0.460
  123    HB2  LEU  11           HB2      LEU  11   5.522   0.806   0.558
  124    HB3  LEU  11           HB1      LEU  11   6.794   1.155   1.723
  125    HG   LEU  11           HG       LEU  11   5.391   2.966  -0.184
  126   HD11  LEU  11          HD11      LEU  11   6.360   3.439   2.625
  127   HD12  LEU  11          HD12      LEU  11   4.794   2.724   2.241
  128   HD13  LEU  11          HD13      LEU  11   5.165   4.367   1.718
  129   HD21  LEU  11          HD21      LEU  11   8.200   3.373   0.830
  130   HD22  LEU  11          HD22      LEU  11   7.174   4.685   0.252
  131   HD23  LEU  11          HD23      LEU  11   7.642   3.384  -0.843
  132    H    ARG  12           HN       ARG  12   6.365  -1.474  -0.155
  133    HA   ARG  12           HA       ARG  12   6.934  -3.594   0.474
  134    HB2  ARG  12           HB2      ARG  12   9.170  -2.718  -0.775
  135    HB3  ARG  12           HB1      ARG  12   9.816  -3.039   0.828
  136    HG2  ARG  12           HG2      ARG  12   9.667  -5.261   0.583
  137    HG3  ARG  12           HG1      ARG  12   8.114  -5.168  -0.249
  138    HD2  ARG  12           HD2      ARG  12  10.787  -4.531  -1.494
  139    HD3  ARG  12           HD1      ARG  12   9.930  -6.059  -1.672
  140    HE   ARG  12           HE       ARG  12   8.323  -4.987  -3.007
  141   HH11  ARG  12          HH11      ARG  12  10.849  -2.790  -1.993
  142   HH12  ARG  12          HH12      ARG  12  10.455  -1.599  -3.185
  143   HH21  ARG  12          HH21      ARG  12   7.810  -3.414  -4.564
  144   HH22  ARG  12          HH22      ARG  12   8.733  -1.951  -4.640
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  -8.112   2.911   2.209
    2    H2   ARG   1           HT2      ARG   1  -9.220   2.274   3.355
    3    H3   ARG   1           HT3      ARG   1  -9.611   2.266   1.684
    4    HA   ARG   1           HA       ARG   1  -7.658   0.646   3.144
    5    HB2  ARG   1           HB2      ARG   1 -10.168   0.271   1.585
    6    HB3  ARG   1           HB1      ARG   1  -8.960  -1.003   1.493
    7    HG2  ARG   1           HG2      ARG   1  -9.573  -1.800   3.463
    8    HG3  ARG   1           HG1      ARG   1  -9.334  -0.227   4.224
    9    HD2  ARG   1           HD2      ARG   1 -11.812  -1.078   2.729
   10    HD3  ARG   1           HD1      ARG   1 -11.637  -1.077   4.483
   11    HE   ARG   1           HE       ARG   1 -11.043   1.471   3.805
   12   HH11  ARG   1          HH11      ARG   1 -13.734  -0.624   3.066
   13   HH12  ARG   1          HH12      ARG   1 -14.873   0.674   2.944
   14   HH21  ARG   1          HH21      ARG   1 -12.540   3.180   3.645
   15   HH22  ARG   1          HH22      ARG   1 -14.196   2.834   3.272
   16    H    ARG   2           HN       ARG   2  -6.134  -0.548   1.963
   17    HA   ARG   2           HA       ARG   2  -4.522  -0.862   0.395
   18    HB2  ARG   2           HB2      ARG   2  -6.518   0.082  -1.655
   19    HB3  ARG   2           HB1      ARG   2  -5.189  -1.047  -1.877
   20    HG2  ARG   2           HG2      ARG   2  -6.383  -2.799  -1.146
   21    HG3  ARG   2           HG1      ARG   2  -7.176  -1.864   0.123
   22    HD2  ARG   2           HD2      ARG   2  -7.864  -1.812  -2.814
   23    HD3  ARG   2           HD1      ARG   2  -8.780  -2.634  -1.552
   24    HE   ARG   2           HE       ARG   2  -8.427   0.176  -1.070
   25   HH11  ARG   2          HH11      ARG   2 -10.393  -2.219  -2.676
   26   HH12  ARG   2          HH12      ARG   2 -11.802  -1.214  -2.720
   27   HH21  ARG   2          HH21      ARG   2 -10.279   1.499  -1.127
   28   HH22  ARG   2          HH22      ARG   2 -11.738   0.897  -1.841
   29    H    LEU   3           HN       LEU   3  -5.093   1.891   1.549
   30    HA   LEU   3           HA       LEU   3  -4.125   3.679  -0.509
   31    HB2  LEU   3           HB2      LEU   3  -4.533   5.422   1.005
   32    HB3  LEU   3           HB1      LEU   3  -5.851   4.303   1.228
   33    HG   LEU   3           HG       LEU   3  -3.465   4.264   3.053
   34   HD11  LEU   3          HD11      LEU   3  -5.247   5.606   4.513
   35   HD12  LEU   3          HD12      LEU   3  -5.654   6.239   2.918
   36   HD13  LEU   3          HD13      LEU   3  -4.011   6.400   3.538
   37   HD21  LEU   3          HD21      LEU   3  -4.621   2.473   3.750
   38   HD22  LEU   3          HD22      LEU   3  -6.084   2.970   2.901
   39   HD23  LEU   3          HD23      LEU   3  -5.709   3.650   4.484
   40    H    ILE   4           HN       ILE   4  -3.078   2.382   2.570
   41    HA   ILE   4           HA       ILE   4  -0.422   3.420   2.361
   42    HB   ILE   4           HB       ILE   4   0.008   2.030   4.402
   43   HG12  ILE   4          HG12      ILE   4  -2.967   1.641   4.543
   44   HG13  ILE   4          HG11      ILE   4  -1.959   0.459   3.715
   45   HG21  ILE   4          HG21      ILE   4  -0.422   4.076   5.201
   46   HG22  ILE   4          HG22      ILE   4  -1.992   3.410   5.651
   47   HG23  ILE   4          HG23      ILE   4  -1.812   4.301   4.140
   48   HD11  ILE   4          HD11      ILE   4  -2.035  -0.454   5.795
   49   HD12  ILE   4          HD12      ILE   4  -2.142   1.110   6.602
   50   HD13  ILE   4          HD13      ILE   4  -0.596   0.552   5.962
   51    H    ARG   5           HN       ARG   5  -2.087   0.800   1.273
   52    HA   ARG   5           HA       ARG   5  -0.016  -1.151   1.235
   53    HB2  ARG   5           HB2      ARG   5  -2.716  -1.035  -0.089
   54    HB3  ARG   5           HB1      ARG   5  -1.690  -2.472   0.024
   55    HG2  ARG   5           HG2      ARG   5  -2.617  -0.857   2.376
   56    HG3  ARG   5           HG1      ARG   5  -3.411  -2.361   1.804
   57    HD2  ARG   5           HD2      ARG   5  -0.594  -2.775   1.929
   58    HD3  ARG   5           HD1      ARG   5  -1.136  -2.069   3.468
   59    HE   ARG   5           HE       ARG   5  -2.838  -4.205   2.681
   60   HH11  ARG   5          HH11      ARG   5   0.298  -3.550   4.064
   61   HH12  ARG   5          HH12      ARG   5   0.377  -5.056   4.914
   62   HH21  ARG   5          HH21      ARG   5  -2.736  -6.188   3.798
   63   HH22  ARG   5          HH22      ARG   5  -1.345  -6.555   4.763
   64    H    LEU   6           HN       LEU   6  -1.874   0.271  -1.462
   65    HA   LEU   6           HA       LEU   6  -0.178  -0.530  -3.484
   66    HB2  LEU   6           HB2      LEU   6  -2.139   1.632  -3.129
   67    HB3  LEU   6           HB1      LEU   6  -0.885   2.012  -4.294
   68    HG   LEU   6           HG       LEU   6  -2.900   1.052  -5.341
   69   HD11  LEU   6          HD11      LEU   6  -0.911  -1.082  -5.759
   70   HD12  LEU   6          HD12      LEU   6  -0.330   0.570  -5.967
   71   HD13  LEU   6          HD13      LEU   6  -1.694  -0.010  -6.921
   72   HD21  LEU   6          HD21      LEU   6  -3.181  -0.519  -3.243
   73   HD22  LEU   6          HD22      LEU   6  -2.236  -1.628  -4.236
   74   HD23  LEU   6          HD23      LEU   6  -3.771  -0.998  -4.834
   75    H    ILE   7           HN       ILE   7   0.344   1.530  -0.905
   76    HA   ILE   7           HA       ILE   7   2.571   2.842  -2.039
   77    HB   ILE   7           HB       ILE   7   0.865   3.095   0.379
   78   HG12  ILE   7          HG12      ILE   7   1.037   5.528  -0.190
   79   HG13  ILE   7          HG11      ILE   7   2.095   5.115  -1.536
   80   HG21  ILE   7          HG21      ILE   7   2.523   4.636   1.454
   81   HG22  ILE   7          HG22      ILE   7   3.729   4.105   0.281
   82   HG23  ILE   7          HG23      ILE   7   3.040   2.950   1.421
   83   HD11  ILE   7          HD11      ILE   7   0.369   4.627  -2.836
   84   HD12  ILE   7          HD12      ILE   7  -0.663   5.320  -1.585
   85   HD13  ILE   7          HD13      ILE   7  -0.350   3.585  -1.609
   86    H    LEU   8           HN       LEU   8   1.746   0.854   0.585
   87    HA   LEU   8           HA       LEU   8   4.273   0.281   1.456
   88    HB2  LEU   8           HB2      LEU   8   2.552  -0.090   2.918
   89    HB3  LEU   8           HB1      LEU   8   1.595  -0.857   1.676
   90    HG   LEU   8           HG       LEU   8   2.368  -2.358   3.555
   91   HD11  LEU   8          HD11      LEU   8   2.028  -2.878   0.873
   92   HD12  LEU   8          HD12      LEU   8   2.103  -4.072   2.168
   93   HD13  LEU   8          HD13      LEU   8   3.558  -3.668   1.256
   94   HD21  LEU   8          HD21      LEU   8   4.880  -1.251   2.869
   95   HD22  LEU   8          HD22      LEU   8   4.938  -2.974   2.500
   96   HD23  LEU   8          HD23      LEU   8   4.509  -2.434   4.123
   97    H    ARG   9           HN       ARG   9   2.709  -0.609  -1.239
   98    HA   ARG   9           HA       ARG   9   3.794  -3.185  -1.710
   99    HB2  ARG   9           HB2      ARG   9   2.494  -1.063  -3.347
  100    HB3  ARG   9           HB1      ARG   9   2.745  -2.718  -3.919
  101    HG2  ARG   9           HG2      ARG   9   1.099  -1.850  -1.535
  102    HG3  ARG   9           HG1      ARG   9   0.456  -2.362  -3.115
  103    HD2  ARG   9           HD2      ARG   9   1.947  -4.032  -1.097
  104    HD3  ARG   9           HD1      ARG   9   0.285  -4.233  -1.649
  105    HE   ARG   9           HE       ARG   9   2.639  -5.235  -2.905
  106   HH11  ARG   9          HH11      ARG   9  -0.577  -4.042  -3.545
  107   HH12  ARG   9          HH12      ARG   9  -0.738  -4.909  -5.035
  108   HH21  ARG   9          HH21      ARG   9   2.430  -6.377  -4.864
  109   HH22  ARG   9          HH22      ARG   9   0.969  -6.235  -5.784
  110    H    LEU  10           HN       LEU  10   4.428   0.061  -2.966
  111    HA   LEU  10           HA       LEU  10   6.773  -0.852  -4.435
  112    HB2  LEU  10           HB2      LEU  10   5.649   1.931  -4.032
  113    HB3  LEU  10           HB1      LEU  10   6.987   1.526  -5.090
  114    HG   LEU  10           HG       LEU  10   4.118   0.646  -5.416
  115   HD11  LEU  10          HD11      LEU  10   4.743   1.931  -7.680
  116   HD12  LEU  10          HD12      LEU  10   5.775   2.810  -6.552
  117   HD13  LEU  10          HD13      LEU  10   4.035   2.733  -6.278
  118   HD21  LEU  10          HD21      LEU  10   5.172  -0.096  -7.702
  119   HD22  LEU  10          HD22      LEU  10   5.226  -1.158  -6.295
  120   HD23  LEU  10          HD23      LEU  10   6.646  -0.210  -6.740
  121    H    LEU  11           HN       LEU  11   5.792   0.535  -1.518
  122    HA   LEU  11           HA       LEU  11   8.249   1.629  -0.594
  123    HB2  LEU  11           HB2      LEU  11   5.574   0.893   0.506
  124    HB3  LEU  11           HB1      LEU  11   6.866   1.315   1.627
  125    HG   LEU  11           HG       LEU  11   5.330   3.021  -0.262
  126   HD11  LEU  11          HD11      LEU  11   6.484   3.651   2.443
  127   HD12  LEU  11          HD12      LEU  11   4.920   2.868   2.213
  128   HD13  LEU  11          HD13      LEU  11   5.193   4.495   1.588
  129   HD21  LEU  11          HD21      LEU  11   8.190   3.542   0.531
  130   HD22  LEU  11          HD22      LEU  11   7.089   4.798  -0.036
  131   HD23  LEU  11          HD23      LEU  11   7.518   3.457  -1.098
  132    H    ARG  12           HN       ARG  12   6.471  -1.387  -0.203
  133    HA   ARG  12           HA       ARG  12   7.168  -3.494   0.359
  134    HB2  ARG  12           HB2      ARG  12   9.417  -2.495  -0.718
  135    HB3  ARG  12           HB1      ARG  12   9.970  -2.704   0.936
  136    HG2  ARG  12           HG2      ARG  12  10.102  -4.918   0.730
  137    HG3  ARG  12           HG1      ARG  12   8.542  -5.025  -0.088
  138    HD2  ARG  12           HD2      ARG  12  11.138  -4.196  -1.381
  139    HD3  ARG  12           HD1      ARG  12  10.407  -5.793  -1.500
  140    HE   ARG  12           HE       ARG  12   8.708  -4.899  -2.857
  141   HH11  ARG  12          HH11      ARG  12  11.063  -2.477  -1.946
  142   HH12  ARG  12          HH12      ARG  12  10.587  -1.376  -3.192
  143   HH21  ARG  12          HH21      ARG  12   8.090  -3.443  -4.488
  144   HH22  ARG  12          HH22      ARG  12   8.903  -1.921  -4.632
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  -8.141   2.918   2.157
    2    H2   ARG   1           HT2      ARG   1  -9.243   2.304   3.321
    3    H3   ARG   1           HT3      ARG   1  -9.635   2.246   1.651
    4    HA   ARG   1           HA       ARG   1  -7.671   0.682   3.156
    5    HB2  ARG   1           HB2      ARG   1  -9.857  -0.034   1.190
    6    HB3  ARG   1           HB1      ARG   1  -8.878  -1.169   2.110
    7    HG2  ARG   1           HG2      ARG   1 -10.738  -1.146   3.408
    8    HG3  ARG   1           HG1      ARG   1  -9.861   0.194   4.151
    9    HD2  ARG   1           HD2      ARG   1 -11.230   1.787   3.211
   10    HD3  ARG   1           HD1      ARG   1 -11.694   0.747   1.865
   11    HE   ARG   1           HE       ARG   1 -13.039   1.009   4.347
   12   HH11  ARG   1          HH11      ARG   1 -12.208  -1.336   1.900
   13   HH12  ARG   1          HH12      ARG   1 -13.571  -2.351   2.233
   14   HH21  ARG   1          HH21      ARG   1 -14.832  -0.325   4.786
   15   HH22  ARG   1          HH22      ARG   1 -15.060  -1.778   3.871
   16    H    ARG   2           HN       ARG   2  -6.135  -0.532   2.008
   17    HA   ARG   2           HA       ARG   2  -4.518  -0.876   0.450
   18    HB2  ARG   2           HB2      ARG   2  -6.584  -0.008  -1.571
   19    HB3  ARG   2           HB1      ARG   2  -5.182  -1.030  -1.855
   20    HG2  ARG   2           HG2      ARG   2  -6.179  -2.877  -0.999
   21    HG3  ARG   2           HG1      ARG   2  -7.134  -1.958   0.165
   22    HD2  ARG   2           HD2      ARG   2  -7.683  -1.803  -2.780
   23    HD3  ARG   2           HD1      ARG   2  -8.354  -3.095  -1.790
   24    HE   ARG   2           HE       ARG   2  -9.674  -1.522  -0.655
   25   HH11  ARG   2          HH11      ARG   2  -7.739  -0.029  -3.158
   26   HH12  ARG   2          HH12      ARG   2  -8.675   1.426  -3.177
   27   HH21  ARG   2          HH21      ARG   2 -10.896   0.393  -0.690
   28   HH22  ARG   2          HH22      ARG   2 -10.463   1.667  -1.780
   29    H    LEU   3           HN       LEU   3  -5.099   1.895   1.549
   30    HA   LEU   3           HA       LEU   3  -4.129   3.648  -0.539
   31    HB2  LEU   3           HB2      LEU   3  -4.544   5.416   0.943
   32    HB3  LEU   3           HB1      LEU   3  -5.859   4.298   1.191
   33    HG   LEU   3           HG       LEU   3  -3.466   4.309   3.011
   34   HD11  LEU   3          HD11      LEU   3  -4.256   6.018   4.282
   35   HD12  LEU   3          HD12      LEU   3  -5.927   5.776   3.772
   36   HD13  LEU   3          HD13      LEU   3  -4.784   6.577   2.695
   37   HD21  LEU   3          HD21      LEU   3  -4.606   2.522   3.750
   38   HD22  LEU   3          HD22      LEU   3  -6.073   2.987   2.890
   39   HD23  LEU   3          HD23      LEU   3  -5.705   3.705   4.458
   40    H    ILE   4           HN       ILE   4  -3.090   2.405   2.564
   41    HA   ILE   4           HA       ILE   4  -0.435   3.438   2.359
   42    HB   ILE   4           HB       ILE   4   0.005   2.142   4.418
   43   HG12  ILE   4          HG12      ILE   4  -2.922   1.469   4.488
   44   HG13  ILE   4          HG11      ILE   4  -1.781   0.388   3.695
   45   HG21  ILE   4          HG21      ILE   4  -0.982   3.688   5.762
   46   HG22  ILE   4          HG22      ILE   4  -2.553   3.534   4.975
   47   HG23  ILE   4          HG23      ILE   4  -1.267   4.465   4.205
   48   HD11  ILE   4          HD11      ILE   4  -1.820  -0.522   5.776
   49   HD12  ILE   4          HD12      ILE   4  -2.112   1.025   6.571
   50   HD13  ILE   4          HD13      ILE   4  -0.498   0.627   5.981
   51    H    ARG   5           HN       ARG   5  -2.092   0.817   1.266
   52    HA   ARG   5           HA       ARG   5  -0.020  -1.132   1.234
   53    HB2  ARG   5           HB2      ARG   5  -2.721  -1.022  -0.086
   54    HB3  ARG   5           HB1      ARG   5  -1.693  -2.457   0.024
   55    HG2  ARG   5           HG2      ARG   5  -2.618  -0.843   2.377
   56    HG3  ARG   5           HG1      ARG   5  -3.408  -2.351   1.808
   57    HD2  ARG   5           HD2      ARG   5  -0.593  -2.763   1.924
   58    HD3  ARG   5           HD1      ARG   5  -1.123  -2.045   3.461
   59    HE   ARG   5           HE       ARG   5  -2.759  -4.251   2.590
   60   HH11  ARG   5          HH11      ARG   5   0.104  -3.340   4.365
   61   HH12  ARG   5          HH12      ARG   5   0.120  -4.782   5.324
   62   HH21  ARG   5          HH21      ARG   5  -2.740  -6.147   3.851
   63   HH22  ARG   5          HH22      ARG   5  -1.494  -6.376   5.032
   64    H    LEU   6           HN       LEU   6  -1.876   0.288  -1.468
   65    HA   LEU   6           HA       LEU   6  -0.178  -0.518  -3.486
   66    HB2  LEU   6           HB2      LEU   6  -2.134   1.650  -3.139
   67    HB3  LEU   6           HB1      LEU   6  -0.877   2.023  -4.303
   68    HG   LEU   6           HG       LEU   6  -2.920   1.051  -5.322
   69   HD11  LEU   6          HD11      LEU   6  -1.520  -0.968  -6.375
   70   HD12  LEU   6          HD12      LEU   6  -0.207  -0.087  -5.593
   71   HD13  LEU   6          HD13      LEU   6  -1.226   0.722  -6.784
   72   HD21  LEU   6          HD21      LEU   6  -3.005  -0.608  -3.210
   73   HD22  LEU   6          HD22      LEU   6  -2.216  -1.657  -4.388
   74   HD23  LEU   6          HD23      LEU   6  -3.791  -0.952  -4.751
   75    H    ILE   7           HN       ILE   7   0.345   1.543  -0.906
   76    HA   ILE   7           HA       ILE   7   2.579   2.848  -2.037
   77    HB   ILE   7           HB       ILE   7   0.868   3.109   0.377
   78   HG12  ILE   7          HG12      ILE   7   1.044   5.539  -0.194
   79   HG13  ILE   7          HG11      ILE   7   2.107   5.126  -1.536
   80   HG21  ILE   7          HG21      ILE   7   3.024   2.966   1.438
   81   HG22  ILE   7          HG22      ILE   7   2.538   4.661   1.437
   82   HG23  ILE   7          HG23      ILE   7   3.741   4.088   0.281
   83   HD11  ILE   7          HD11      ILE   7   0.385   4.645  -2.842
   84   HD12  ILE   7          HD12      ILE   7  -0.653   5.329  -1.591
   85   HD13  ILE   7          HD13      ILE   7  -0.336   3.595  -1.622
   86    H    LEU   8           HN       LEU   8   1.744   0.859   0.584
   87    HA   LEU   8           HA       LEU   8   4.273   0.286   1.453
   88    HB2  LEU   8           HB2      LEU   8   2.569  -0.090   2.928
   89    HB3  LEU   8           HB1      LEU   8   1.591  -0.835   1.688
   90    HG   LEU   8           HG       LEU   8   2.350  -2.370   3.538
   91   HD11  LEU   8          HD11      LEU   8   2.040  -2.851   0.839
   92   HD12  LEU   8          HD12      LEU   8   2.072  -4.058   2.124
   93   HD13  LEU   8          HD13      LEU   8   3.549  -3.668   1.243
   94   HD21  LEU   8          HD21      LEU   8   4.853  -3.153   2.724
   95   HD22  LEU   8          HD22      LEU   8   4.489  -2.171   4.143
   96   HD23  LEU   8          HD23      LEU   8   4.940  -1.394   2.625
   97    H    ARG   9           HN       ARG   9   2.705  -0.597  -1.241
   98    HA   ARG   9           HA       ARG   9   3.779  -3.175  -1.718
   99    HB2  ARG   9           HB2      ARG   9   2.491  -1.043  -3.351
  100    HB3  ARG   9           HB1      ARG   9   2.740  -2.696  -3.930
  101    HG2  ARG   9           HG2      ARG   9   1.091  -1.837  -1.546
  102    HG3  ARG   9           HG1      ARG   9   0.449  -2.335  -3.131
  103    HD2  ARG   9           HD2      ARG   9   1.893  -4.017  -1.095
  104    HD3  ARG   9           HD1      ARG   9   0.258  -4.228  -1.719
  105    HE   ARG   9           HE       ARG   9   2.665  -5.217  -2.870
  106   HH11  ARG   9          HH11      ARG   9  -0.502  -3.991  -3.677
  107   HH12  ARG   9          HH12      ARG   9  -0.582  -4.838  -5.185
  108   HH21  ARG   9          HH21      ARG   9   2.561  -6.331  -4.852
  109   HH22  ARG   9          HH22      ARG   9   1.156  -6.168  -5.852
  110    H    LEU  10           HN       LEU  10   4.434   0.072  -2.958
  111    HA   LEU  10           HA       LEU  10   6.774  -0.848  -4.433
  112    HB2  LEU  10           HB2      LEU  10   5.633   1.925  -4.011
  113    HB3  LEU  10           HB1      LEU  10   7.018   1.562  -5.024
  114    HG   LEU  10           HG       LEU  10   4.181   0.638  -5.481
  115   HD11  LEU  10          HD11      LEU  10   4.853   2.003  -7.680
  116   HD12  LEU  10          HD12      LEU  10   5.831   2.868  -6.494
  117   HD13  LEU  10          HD13      LEU  10   4.084   2.750  -6.280
  118   HD21  LEU  10          HD21      LEU  10   5.357   0.004  -7.752
  119   HD22  LEU  10          HD22      LEU  10   5.342  -1.112  -6.386
  120   HD23  LEU  10          HD23      LEU  10   6.775  -0.138  -6.713
  121    H    LEU  11           HN       LEU  11   5.797   0.543  -1.512
  122    HA   LEU  11           HA       LEU  11   8.252   1.613  -0.572
  123    HB2  LEU  11           HB2      LEU  11   5.578   0.865   0.517
  124    HB3  LEU  11           HB1      LEU  11   6.870   1.264   1.646
  125    HG   LEU  11           HG       LEU  11   5.360   3.009  -0.237
  126   HD11  LEU  11          HD11      LEU  11   6.431   3.560   2.520
  127   HD12  LEU  11          HD12      LEU  11   4.870   2.797   2.214
  128   HD13  LEU  11          HD13      LEU  11   5.176   4.439   1.647
  129   HD21  LEU  11          HD21      LEU  11   8.203   3.488   0.637
  130   HD22  LEU  11          HD22      LEU  11   7.122   4.781   0.116
  131   HD23  LEU  11          HD23      LEU  11   7.555   3.490  -1.004
  132    H    ARG  12           HN       ARG  12   6.469  -1.406  -0.197
  133    HA   ARG  12           HA       ARG  12   7.143  -3.511   0.390
  134    HB2  ARG  12           HB2      ARG  12   9.333  -2.596  -0.834
  135    HB3  ARG  12           HB1      ARG  12   9.986  -2.730   0.792
  136    HG2  ARG  12           HG2      ARG  12  10.090  -4.955   0.688
  137    HG3  ARG  12           HG1      ARG  12   8.493  -5.088  -0.050
  138    HD2  ARG  12           HD2      ARG  12  11.025  -4.325  -1.501
  139    HD3  ARG  12           HD1      ARG  12  10.293  -5.927  -1.512
  140    HE   ARG  12           HE       ARG  12   8.526  -5.094  -2.820
  141   HH11  ARG  12          HH11      ARG  12  10.936  -2.646  -2.157
  142   HH12  ARG  12          HH12      ARG  12  10.388  -1.597  -3.419
  143   HH21  ARG  12          HH21      ARG  12   7.813  -3.707  -4.471
  144   HH22  ARG  12          HH22      ARG  12   8.618  -2.195  -4.728
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  -8.076   1.869   1.322
    2    H2   ARG   1           HT2      ARG   1  -9.105   2.066   2.679
    3    H3   ARG   1           HT3      ARG   1  -9.503   0.931   1.456
    4    HA   ARG   1           HA       ARG   1  -7.813   0.685   3.725
    5    HB2  ARG   1           HB2      ARG   1  -9.392  -0.993   1.836
    6    HB3  ARG   1           HB1      ARG   1  -8.124  -1.787   2.760
    7    HG2  ARG   1           HG2      ARG   1  -9.354  -1.800   4.606
    8    HG3  ARG   1           HG1      ARG   1  -9.751  -0.089   4.439
    9    HD2  ARG   1           HD2      ARG   1 -11.087  -2.100   2.680
   10    HD3  ARG   1           HD1      ARG   1 -11.636  -1.894   4.343
   11    HE   ARG   1           HE       ARG   1 -11.425   0.581   2.914
   12   HH11  ARG   1          HH11      ARG   1 -13.479  -2.170   3.541
   13   HH12  ARG   1          HH12      ARG   1 -14.941  -1.320   3.171
   14   HH21  ARG   1          HH21      ARG   1 -13.347   1.700   2.430
   15   HH22  ARG   1          HH22      ARG   1 -14.867   0.877   2.540
   16    H    ARG   2           HN       ARG   2  -7.376   0.438   0.253
   17    HA   ARG   2           HA       ARG   2  -4.666  -0.604   0.626
   18    HB2  ARG   2           HB2      ARG   2  -5.814  -0.128  -2.083
   19    HB3  ARG   2           HB1      ARG   2  -4.743  -1.408  -1.532
   20    HG2  ARG   2           HG2      ARG   2  -6.572  -2.690  -1.678
   21    HG3  ARG   2           HG1      ARG   2  -6.993  -1.970  -0.123
   22    HD2  ARG   2           HD2      ARG   2  -8.427  -0.386  -1.135
   23    HD3  ARG   2           HD1      ARG   2  -7.799  -0.737  -2.744
   24    HE   ARG   2           HE       ARG   2  -8.897  -3.089  -1.768
   25   HH11  ARG   2          HH11      ARG   2  -9.984   0.121  -2.597
   26   HH12  ARG   2          HH12      ARG   2 -11.574  -0.398  -3.046
   27   HH21  ARG   2          HH21      ARG   2 -10.989  -3.774  -2.358
   28   HH22  ARG   2          HH22      ARG   2 -12.144  -2.608  -2.910
   29    H    LEU   3           HN       LEU   3  -5.072   2.009   1.469
   30    HA   LEU   3           HA       LEU   3  -4.152   3.800  -0.632
   31    HB2  LEU   3           HB2      LEU   3  -3.951   5.345   1.524
   32    HB3  LEU   3           HB1      LEU   3  -5.474   5.079   0.703
   33    HG   LEU   3           HG       LEU   3  -4.784   3.232   2.927
   34   HD11  LEU   3          HD11      LEU   3  -5.748   4.858   4.549
   35   HD12  LEU   3          HD12      LEU   3  -5.597   6.104   3.311
   36   HD13  LEU   3          HD13      LEU   3  -4.156   5.302   3.935
   37   HD21  LEU   3          HD21      LEU   3  -7.020   2.883   3.003
   38   HD22  LEU   3          HD22      LEU   3  -6.927   3.468   1.341
   39   HD23  LEU   3          HD23      LEU   3  -7.405   4.564   2.637
   40    H    ILE   4           HN       ILE   4  -3.009   2.884   2.581
   41    HA   ILE   4           HA       ILE   4  -0.357   3.742   2.145
   42    HB   ILE   4           HB       ILE   4   0.185   2.572   4.243
   43   HG12  ILE   4          HG12      ILE   4  -2.707   1.936   4.631
   44   HG13  ILE   4          HG11      ILE   4  -1.732   0.831   3.668
   45   HG21  ILE   4          HG21      ILE   4  -0.882   4.097   5.635
   46   HG22  ILE   4          HG22      ILE   4  -2.362   4.086   4.676
   47   HG23  ILE   4          HG23      ILE   4  -0.918   4.892   4.062
   48   HD11  ILE   4          HD11      ILE   4  -1.517  -0.100   5.739
   49   HD12  ILE   4          HD12      ILE   4  -1.587   1.456   6.567
   50   HD13  ILE   4          HD13      ILE   4  -0.115   0.970   5.726
   51    H    ARG   5           HN       ARG   5  -2.094   1.107   1.280
   52    HA   ARG   5           HA       ARG   5  -0.105  -0.900   1.265
   53    HB2  ARG   5           HB2      ARG   5  -2.833  -0.682   0.028
   54    HB3  ARG   5           HB1      ARG   5  -1.857  -2.160   0.044
   55    HG2  ARG   5           HG2      ARG   5  -2.527  -0.572   2.492
   56    HG3  ARG   5           HG1      ARG   5  -3.479  -1.988   1.932
   57    HD2  ARG   5           HD2      ARG   5  -0.692  -2.613   1.837
   58    HD3  ARG   5           HD1      ARG   5  -1.084  -1.956   3.441
   59    HE   ARG   5           HE       ARG   5  -2.940  -3.967   2.570
   60   HH11  ARG   5          HH11      ARG   5   0.144  -3.434   4.110
   61   HH12  ARG   5          HH12      ARG   5   0.120  -4.941   4.963
   62   HH21  ARG   5          HH21      ARG   5  -2.977  -5.951   3.691
   63   HH22  ARG   5          HH22      ARG   5  -1.653  -6.372   4.725
   64    H    LEU   6           HN       LEU   6  -1.904   0.526  -1.468
   65    HA   LEU   6           HA       LEU   6  -0.264  -0.418  -3.476
   66    HB2  LEU   6           HB2      LEU   6  -2.073   1.901  -3.171
   67    HB3  LEU   6           HB1      LEU   6  -0.843   2.091  -4.406
   68    HG   LEU   6           HG       LEU   6  -2.995   1.233  -5.283
   69   HD11  LEU   6          HD11      LEU   6  -1.834  -0.966  -6.243
   70   HD12  LEU   6          HD12      LEU   6  -0.412  -0.182  -5.555
   71   HD13  LEU   6          HD13      LEU   6  -1.383   0.657  -6.766
   72   HD21  LEU   6          HD21      LEU   6  -3.509  -0.110  -3.215
   73   HD22  LEU   6          HD22      LEU   6  -2.351  -1.305  -3.800
   74   HD23  LEU   6          HD23      LEU   6  -3.792  -0.936  -4.748
   75    H    ILE   7           HN       ILE   7   0.374   1.675  -0.958
   76    HA   ILE   7           HA       ILE   7   2.665   2.854  -2.126
   77    HB   ILE   7           HB       ILE   7   0.938   3.267   0.256
   78   HG12  ILE   7          HG12      ILE   7   1.438   5.715  -0.396
   79   HG13  ILE   7          HG11      ILE   7   2.228   5.057  -1.826
   80   HG21  ILE   7          HG21      ILE   7   3.086   3.033   1.342
   81   HG22  ILE   7          HG22      ILE   7   2.643   4.740   1.332
   82   HG23  ILE   7          HG23      ILE   7   3.849   4.137   0.196
   83   HD11  ILE   7          HD11      ILE   7   0.239   5.128  -2.798
   84   HD12  ILE   7          HD12      ILE   7  -0.581   5.425  -1.265
   85   HD13  ILE   7          HD13      ILE   7  -0.218   3.774  -1.766
   86    H    LEU   8           HN       LEU   8   1.708   0.931   0.499
   87    HA   LEU   8           HA       LEU   8   4.189   0.281   1.464
   88    HB2  LEU   8           HB2      LEU   8   2.209   0.061   2.725
   89    HB3  LEU   8           HB1      LEU   8   1.540  -1.005   1.519
   90    HG   LEU   8           HG       LEU   8   2.235  -2.094   3.685
   91   HD11  LEU   8          HD11      LEU   8   2.430  -3.018   1.061
   92   HD12  LEU   8          HD12      LEU   8   2.315  -3.984   2.531
   93   HD13  LEU   8          HD13      LEU   8   3.896  -3.577   1.866
   94   HD21  LEU   8          HD21      LEU   8   4.443  -0.652   3.598
   95   HD22  LEU   8          HD22      LEU   8   5.046  -2.054   2.715
   96   HD23  LEU   8          HD23      LEU   8   4.417  -2.247   4.352
   97    H    ARG   9           HN       ARG   9   2.663  -0.558  -1.273
   98    HA   ARG   9           HA       ARG   9   3.660  -3.167  -1.740
   99    HB2  ARG   9           HB2      ARG   9   2.488  -0.970  -3.374
  100    HB3  ARG   9           HB1      ARG   9   2.698  -2.619  -3.979
  101    HG2  ARG   9           HG2      ARG   9   1.009  -1.739  -1.627
  102    HG3  ARG   9           HG1      ARG   9   0.404  -2.212  -3.233
  103    HD2  ARG   9           HD2      ARG   9   1.747  -3.945  -1.171
  104    HD3  ARG   9           HD1      ARG   9   0.123  -4.109  -1.837
  105    HE   ARG   9           HE       ARG   9   2.529  -5.157  -2.933
  106   HH11  ARG   9          HH11      ARG   9  -0.576  -3.830  -3.821
  107   HH12  ARG   9          HH12      ARG   9  -0.630  -4.650  -5.345
  108   HH21  ARG   9          HH21      ARG   9   2.458  -6.233  -4.941
  109   HH22  ARG   9          HH22      ARG   9   1.089  -6.014  -5.980
  110    H    LEU  10           HN       LEU  10   4.468   0.065  -2.929
  111    HA   LEU  10           HA       LEU  10   6.807  -0.912  -4.363
  112    HB2  LEU  10           HB2      LEU  10   5.839   1.920  -3.897
  113    HB3  LEU  10           HB1      LEU  10   7.124   1.444  -4.991
  114    HG   LEU  10           HG       LEU  10   4.188   0.813  -5.271
  115   HD11  LEU  10          HD11      LEU  10   5.705   2.163  -7.400
  116   HD12  LEU  10          HD12      LEU  10   5.457   3.098  -5.926
  117   HD13  LEU  10          HD13      LEU  10   4.070   2.455  -6.806
  118   HD21  LEU  10          HD21      LEU  10   5.177  -0.007  -7.586
  119   HD22  LEU  10          HD22      LEU  10   5.049  -1.084  -6.195
  120   HD23  LEU  10          HD23      LEU  10   6.594  -0.327  -6.586
  121    H    LEU  11           HN       LEU  11   5.805   0.511  -1.457
  122    HA   LEU  11           HA       LEU  11   8.264   1.462  -0.424
  123    HB2  LEU  11           HB2      LEU  11   5.540   0.770   0.579
  124    HB3  LEU  11           HB1      LEU  11   6.813   1.114   1.747
  125    HG   LEU  11           HG       LEU  11   5.408   2.933  -0.151
  126   HD11  LEU  11          HD11      LEU  11   5.212   4.340   1.758
  127   HD12  LEU  11          HD12      LEU  11   6.385   3.380   2.660
  128   HD13  LEU  11          HD13      LEU  11   4.806   2.701   2.265
  129   HD21  LEU  11          HD21      LEU  11   8.222   3.330   0.850
  130   HD22  LEU  11          HD22      LEU  11   7.197   4.647   0.278
  131   HD23  LEU  11          HD23      LEU  11   7.655   3.346  -0.820
  132    H    ARG  12           HN       ARG  12   6.391  -1.509  -0.189
  133    HA   ARG  12           HA       ARG  12   6.969  -3.643   0.383
  134    HB2  ARG  12           HB2      ARG  12   9.264  -2.675  -0.727
  135    HB3  ARG  12           HB1      ARG  12   9.825  -3.117   0.879
  136    HG2  ARG  12           HG2      ARG  12   9.678  -5.313   0.465
  137    HG3  ARG  12           HG1      ARG  12   8.168  -5.146  -0.434
  138    HD2  ARG  12           HD2      ARG  12  10.888  -4.411  -1.506
  139    HD3  ARG  12           HD1      ARG  12  10.076  -5.943  -1.812
  140    HE   ARG  12           HE       ARG  12   8.490  -4.818  -3.138
  141   HH11  ARG  12          HH11      ARG  12  10.963  -2.661  -1.925
  142   HH12  ARG  12          HH12      ARG  12  10.602  -1.414  -3.069
  143   HH21  ARG  12          HH21      ARG  12   8.021  -3.175  -4.628
  144   HH22  ARG  12          HH22      ARG  12   8.933  -1.703  -4.601
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1  -8.254   1.810   1.365
    2    H2   ARG   1           HT2      ARG   1  -7.875   2.340   2.953
    3    H3   ARG   1           HT3      ARG   1  -9.414   1.660   2.619
    4    HA   ARG   1           HA       ARG   1  -7.751   0.226   3.779
    5    HB2  ARG   1           HB2      ARG   1  -9.360  -0.406   1.340
    6    HB3  ARG   1           HB1      ARG   1  -8.377  -1.677   2.055
    7    HG2  ARG   1           HG2      ARG   1  -9.747  -1.927   3.810
    8    HG3  ARG   1           HG1      ARG   1 -10.032  -0.193   3.966
    9    HD2  ARG   1           HD2      ARG   1 -11.234  -1.057   1.546
   10    HD3  ARG   1           HD1      ARG   1 -11.711  -2.184   2.814
   11    HE   ARG   1           HE       ARG   1 -12.945  -0.516   3.800
   12   HH11  ARG   1          HH11      ARG   1 -10.884   0.872   1.348
   13   HH12  ARG   1          HH12      ARG   1 -11.641   2.428   1.416
   14   HH21  ARG   1          HH21      ARG   1 -13.939   1.530   3.891
   15   HH22  ARG   1          HH22      ARG   1 -13.374   2.802   2.859
   16    H    ARG   2           HN       ARG   2  -7.308   0.479   0.244
   17    HA   ARG   2           HA       ARG   2  -4.594  -0.578   0.571
   18    HB2  ARG   2           HB2      ARG   2  -6.086  -0.134  -2.014
   19    HB3  ARG   2           HB1      ARG   2  -4.633  -1.093  -1.770
   20    HG2  ARG   2           HG2      ARG   2  -5.786  -2.894  -1.131
   21    HG3  ARG   2           HG1      ARG   2  -6.883  -1.951  -0.121
   22    HD2  ARG   2           HD2      ARG   2  -7.128  -1.786  -3.089
   23    HD3  ARG   2           HD1      ARG   2  -7.756  -3.203  -2.255
   24    HE   ARG   2           HE       ARG   2  -9.317  -1.825  -1.137
   25   HH11  ARG   2          HH11      ARG   2  -7.412  -0.069  -3.490
   26   HH12  ARG   2          HH12      ARG   2  -8.525   1.252  -3.579
   27   HH21  ARG   2          HH21      ARG   2 -10.766  -0.082  -1.258
   28   HH22  ARG   2          HH22      ARG   2 -10.424   1.246  -2.316
   29    H    LEU   3           HN       LEU   3  -5.118   2.080   1.386
   30    HA   LEU   3           HA       LEU   3  -4.132   3.834  -0.694
   31    HB2  LEU   3           HB2      LEU   3  -4.566   5.604   0.779
   32    HB3  LEU   3           HB1      LEU   3  -5.879   4.482   1.020
   33    HG   LEU   3           HG       LEU   3  -3.501   4.510   2.858
   34   HD11  LEU   3          HD11      LEU   3  -5.971   5.952   3.619
   35   HD12  LEU   3          HD12      LEU   3  -4.857   6.764   2.520
   36   HD13  LEU   3          HD13      LEU   3  -4.298   6.228   4.104
   37   HD21  LEU   3          HD21      LEU   3  -4.630   2.721   3.601
   38   HD22  LEU   3          HD22      LEU   3  -6.090   3.161   2.715
   39   HD23  LEU   3          HD23      LEU   3  -5.755   3.895   4.283
   40    H    ILE   4           HN       ILE   4  -3.124   2.592   2.419
   41    HA   ILE   4           HA       ILE   4  -0.456   3.606   2.215
   42    HB   ILE   4           HB       ILE   4  -0.029   2.352   4.295
   43   HG12  ILE   4          HG12      ILE   4  -2.950   1.683   4.407
   44   HG13  ILE   4          HG11      ILE   4  -1.833   0.598   3.586
   45   HG21  ILE   4          HG21      ILE   4  -1.034   3.901   5.630
   46   HG22  ILE   4          HG22      ILE   4  -2.590   3.761   4.811
   47   HG23  ILE   4          HG23      ILE   4  -1.279   4.672   4.063
   48   HD11  ILE   4          HD11      ILE   4  -1.736  -0.334   5.631
   49   HD12  ILE   4          HD12      ILE   4  -2.165   1.165   6.457
   50   HD13  ILE   4          HD13      ILE   4  -0.515   0.913   5.886
   51    H    ARG   5           HN       ARG   5  -2.156   1.009   1.160
   52    HA   ARG   5           HA       ARG   5  -0.151  -0.998   1.168
   53    HB2  ARG   5           HB2      ARG   5  -2.836  -0.785  -0.168
   54    HB3  ARG   5           HB1      ARG   5  -1.855  -2.257  -0.096
   55    HG2  ARG   5           HG2      ARG   5  -2.691  -0.661   2.301
   56    HG3  ARG   5           HG1      ARG   5  -3.561  -2.113   1.705
   57    HD2  ARG   5           HD2      ARG   5  -0.768  -2.668   1.776
   58    HD3  ARG   5           HD1      ARG   5  -1.245  -1.965   3.337
   59    HE   ARG   5           HE       ARG   5  -3.013  -4.051   2.451
   60   HH11  ARG   5          HH11      ARG   5  -0.026  -3.382   4.128
   61   HH12  ARG   5          HH12      ARG   5  -0.067  -4.850   5.046
   62   HH21  ARG   5          HH21      ARG   5  -3.069  -5.982   3.657
   63   HH22  ARG   5          HH22      ARG   5  -1.795  -6.327   4.778
   64    H    LEU   6           HN       LEU   6  -1.897   0.455  -1.594
   65    HA   LEU   6           HA       LEU   6  -0.176  -0.431  -3.563
   66    HB2  LEU   6           HB2      LEU   6  -2.116   1.742  -3.302
   67    HB3  LEU   6           HB1      LEU   6  -0.794   2.155  -4.379
   68    HG   LEU   6           HG       LEU   6  -2.771   1.193  -5.538
   69   HD11  LEU   6          HD11      LEU   6  -1.325  -0.735  -6.626
   70   HD12  LEU   6          HD12      LEU   6  -0.045   0.030  -5.685
   71   HD13  LEU   6          HD13      LEU   6  -0.944   0.969  -6.877
   72   HD21  LEU   6          HD21      LEU   6  -2.938  -0.534  -3.484
   73   HD22  LEU   6          HD22      LEU   6  -2.080  -1.534  -4.657
   74   HD23  LEU   6          HD23      LEU   6  -3.645  -0.834  -5.072
   75    H    ILE   7           HN       ILE   7   0.344   1.652  -0.999
   76    HA   ILE   7           HA       ILE   7   2.639   2.881  -2.093
   77    HB   ILE   7           HB       ILE   7   0.881   3.219   0.280
   78   HG12  ILE   7          HG12      ILE   7   1.232   5.663  -0.319
   79   HG13  ILE   7          HG11      ILE   7   2.187   5.125  -1.697
   80   HG21  ILE   7          HG21      ILE   7   3.002   3.031   1.395
   81   HG22  ILE   7          HG22      ILE   7   2.581   4.743   1.350
   82   HG23  ILE   7          HG23      ILE   7   3.787   4.101   0.234
   83   HD11  ILE   7          HD11      ILE   7   0.354   4.834  -2.891
   84   HD12  ILE   7          HD12      ILE   7  -0.590   5.475  -1.545
   85   HD13  ILE   7          HD13      ILE   7  -0.307   3.739  -1.677
   86    H    LEU   8           HN       LEU   8   1.679   0.928   0.510
   87    HA   LEU   8           HA       LEU   8   4.170   0.302   1.462
   88    HB2  LEU   8           HB2      LEU   8   2.340   0.026   2.841
   89    HB3  LEU   8           HB1      LEU   8   1.472  -0.832   1.596
   90    HG   LEU   8           HG       LEU   8   2.149  -2.222   3.575
   91   HD11  LEU   8          HD11      LEU   8   2.143  -2.871   0.870
   92   HD12  LEU   8          HD12      LEU   8   2.012  -3.980   2.235
   93   HD13  LEU   8          HD13      LEU   8   3.589  -3.641   1.523
   94   HD21  LEU   8          HD21      LEU   8   4.565  -0.984   3.326
   95   HD22  LEU   8          HD22      LEU   8   4.885  -2.557   2.596
   96   HD23  LEU   8          HD23      LEU   8   4.271  -2.460   4.246
   97    H    ARG   9           HN       ARG   9   2.650  -0.550  -1.266
   98    HA   ARG   9           HA       ARG   9   3.651  -3.159  -1.721
   99    HB2  ARG   9           HB2      ARG   9   2.490  -0.973  -3.376
  100    HB3  ARG   9           HB1      ARG   9   2.714  -2.622  -3.974
  101    HG2  ARG   9           HG2      ARG   9   0.997  -1.746  -1.645
  102    HG3  ARG   9           HG1      ARG   9   0.408  -2.221  -3.257
  103    HD2  ARG   9           HD2      ARG   9   1.750  -3.952  -1.190
  104    HD3  ARG   9           HD1      ARG   9   0.118  -4.105  -1.838
  105    HE   ARG   9           HE       ARG   9   2.504  -5.167  -2.963
  106   HH11  ARG   9          HH11      ARG   9  -0.612  -3.835  -3.798
  107   HH12  ARG   9          HH12      ARG   9  -0.695  -4.656  -5.320
  108   HH21  ARG   9          HH21      ARG   9   2.398  -6.245  -4.964
  109   HH22  ARG   9          HH22      ARG   9   1.013  -6.027  -5.981
  110    H    LEU  10           HN       LEU  10   4.467   0.067  -2.923
  111    HA   LEU  10           HA       LEU  10   6.822  -0.927  -4.322
  112    HB2  LEU  10           HB2      LEU  10   5.804   1.898  -3.913
  113    HB3  LEU  10           HB1      LEU  10   7.154   1.447  -4.938
  114    HG   LEU  10           HG       LEU  10   4.262   0.691  -5.359
  115   HD11  LEU  10          HD11      LEU  10   6.038   2.802  -6.424
  116   HD12  LEU  10          HD12      LEU  10   4.293   2.806  -6.165
  117   HD13  LEU  10          HD13      LEU  10   4.973   1.994  -7.575
  118   HD21  LEU  10          HD21      LEU  10   5.354  -0.041  -7.631
  119   HD22  LEU  10          HD22      LEU  10   5.322  -1.134  -6.248
  120   HD23  LEU  10          HD23      LEU  10   6.791  -0.235  -6.627
  121    H    LEU  11           HN       LEU  11   5.788   0.546  -1.448
  122    HA   LEU  11           HA       LEU  11   8.238   1.503  -0.403
  123    HB2  LEU  11           HB2      LEU  11   5.512   0.810   0.591
  124    HB3  LEU  11           HB1      LEU  11   6.778   1.159   1.765
  125    HG   LEU  11           HG       LEU  11   5.383   2.968  -0.148
  126   HD11  LEU  11          HD11      LEU  11   6.342   3.415   2.671
  127   HD12  LEU  11          HD12      LEU  11   4.761   2.751   2.258
  128   HD13  LEU  11          HD13      LEU  11   5.188   4.388   1.759
  129   HD21  LEU  11          HD21      LEU  11   8.189   3.383   0.875
  130   HD22  LEU  11          HD22      LEU  11   7.164   4.688   0.278
  131   HD23  LEU  11          HD23      LEU  11   7.641   3.378  -0.802
  132    H    ARG  12           HN       ARG  12   6.371  -1.472  -0.166
  133    HA   ARG  12           HA       ARG  12   6.963  -3.606   0.399
  134    HB2  ARG  12           HB2      ARG  12   9.254  -2.640  -0.679
  135    HB3  ARG  12           HB1      ARG  12   9.806  -3.013   0.947
  136    HG2  ARG  12           HG2      ARG  12   9.753  -5.216   0.590
  137    HG3  ARG  12           HG1      ARG  12   8.216  -5.137  -0.274
  138    HD2  ARG  12           HD2      ARG  12  10.912  -4.416  -1.422
  139    HD3  ARG  12           HD1      ARG  12  10.056  -5.929  -1.701
  140    HE   ARG  12           HE       ARG  12   8.494  -4.784  -3.029
  141   HH11  ARG  12          HH11      ARG  12  10.974  -2.639  -1.809
  142   HH12  ARG  12          HH12      ARG  12  10.642  -1.402  -2.972
  143   HH21  ARG  12          HH21      ARG  12   8.070  -3.154  -4.554
  144   HH22  ARG  12          HH22      ARG  12   8.999  -1.692  -4.527
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  -8.195   1.866   0.943
    2    H2   ARG   1           HT2      ARG   1  -8.772   2.335   2.489
    3    H3   ARG   1           HT3      ARG   1  -9.763   1.396   1.451
    4    HA   ARG   1           HA       ARG   1  -8.239   0.452   3.422
    5    HB2  ARG   1           HB2      ARG   1  -9.492  -0.648   0.947
    6    HB3  ARG   1           HB1      ARG   1  -8.488  -1.723   1.911
    7    HG2  ARG   1           HG2      ARG   1 -10.010  -1.887   3.548
    8    HG3  ARG   1           HG1      ARG   1 -10.455  -0.182   3.447
    9    HD2  ARG   1           HD2      ARG   1 -11.575  -0.867   1.211
   10    HD3  ARG   1           HD1      ARG   1 -11.478  -2.504   1.857
   11    HE   ARG   1           HE       ARG   1 -13.175  -1.995   3.303
   12   HH11  ARG   1          HH11      ARG   1 -11.866   0.975   2.019
   13   HH12  ARG   1          HH12      ARG   1 -13.099   1.968   2.721
   14   HH21  ARG   1          HH21      ARG   1 -14.799  -0.690   4.225
   15   HH22  ARG   1          HH22      ARG   1 -14.764   1.023   3.973
   16    H    ARG   2           HN       ARG   2  -7.310   0.384  -0.019
   17    HA   ARG   2           HA       ARG   2  -4.641  -0.536   0.757
   18    HB2  ARG   2           HB2      ARG   2  -5.641  -0.236  -2.065
   19    HB3  ARG   2           HB1      ARG   2  -4.332  -1.248  -1.474
   20    HG2  ARG   2           HG2      ARG   2  -5.709  -2.956  -1.199
   21    HG3  ARG   2           HG1      ARG   2  -6.772  -1.991  -0.174
   22    HD2  ARG   2           HD2      ARG   2  -7.029  -1.306  -2.986
   23    HD3  ARG   2           HD1      ARG   2  -7.366  -3.008  -2.681
   24    HE   ARG   2           HE       ARG   2  -9.219  -2.406  -1.418
   25   HH11  ARG   2          HH11      ARG   2  -7.458   0.437  -2.436
   26   HH12  ARG   2          HH12      ARG   2  -8.740   1.525  -2.030
   27   HH21  ARG   2          HH21      ARG   2 -10.901  -0.971  -0.885
   28   HH22  ARG   2          HH22      ARG   2 -10.693   0.728  -1.149
   29    H    LEU   3           HN       LEU   3  -4.977   1.993   1.542
   30    HA   LEU   3           HA       LEU   3  -4.029   3.824  -0.515
   31    HB2  LEU   3           HB2      LEU   3  -3.849   5.323   1.682
   32    HB3  LEU   3           HB1      LEU   3  -5.357   5.093   0.822
   33    HG   LEU   3           HG       LEU   3  -4.709   3.213   3.042
   34   HD11  LEU   3          HD11      LEU   3  -5.836   4.848   4.600
   35   HD12  LEU   3          HD12      LEU   3  -5.526   6.085   3.381
   36   HD13  LEU   3          HD13      LEU   3  -4.178   5.235   4.138
   37   HD21  LEU   3          HD21      LEU   3  -6.725   2.600   2.233
   38   HD22  LEU   3          HD22      LEU   3  -7.065   4.197   1.567
   39   HD23  LEU   3          HD23      LEU   3  -7.296   3.892   3.288
   40    H    ILE   4           HN       ILE   4  -2.952   2.819   2.686
   41    HA   ILE   4           HA       ILE   4  -0.272   3.642   2.327
   42    HB   ILE   4           HB       ILE   4   0.183   2.377   4.413
   43   HG12  ILE   4          HG12      ILE   4  -2.713   1.947   4.860
   44   HG13  ILE   4          HG11      ILE   4  -1.938   0.850   3.721
   45   HG21  ILE   4          HG21      ILE   4  -0.616   4.050   5.709
   46   HG22  ILE   4          HG22      ILE   4  -2.246   3.937   5.045
   47   HG23  ILE   4          HG23      ILE   4  -0.980   4.767   4.139
   48   HD11  ILE   4          HD11      ILE   4  -1.424  -0.355   5.518
   49   HD12  ILE   4          HD12      ILE   4  -1.747   0.983   6.620
   50   HD13  ILE   4          HD13      ILE   4  -0.181   0.860   5.816
   51    H    ARG   5           HN       ARG   5  -2.047   1.051   1.367
   52    HA   ARG   5           HA       ARG   5  -0.050  -0.971   1.346
   53    HB2  ARG   5           HB2      ARG   5  -2.799  -0.772   0.148
   54    HB3  ARG   5           HB1      ARG   5  -1.815  -2.244   0.168
   55    HG2  ARG   5           HG2      ARG   5  -2.494  -0.639   2.603
   56    HG3  ARG   5           HG1      ARG   5  -3.419  -2.079   2.063
   57    HD2  ARG   5           HD2      ARG   5  -0.641  -2.687   1.962
   58    HD3  ARG   5           HD1      ARG   5  -0.995  -1.957   3.541
   59    HE   ARG   5           HE       ARG   5  -2.334  -3.780   4.088
   60   HH11  ARG   5          HH11      ARG   5  -1.217  -4.033   0.785
   61   HH12  ARG   5          HH12      ARG   5  -1.683  -5.692   0.629
   62   HH21  ARG   5          HH21      ARG   5  -2.947  -5.958   3.873
   63   HH22  ARG   5          HH22      ARG   5  -2.665  -6.784   2.377
   64    H    LEU   6           HN       LEU   6  -1.916   0.430  -1.357
   65    HA   LEU   6           HA       LEU   6  -0.291  -0.498  -3.386
   66    HB2  LEU   6           HB2      LEU   6  -2.192   1.719  -3.068
   67    HB3  LEU   6           HB1      LEU   6  -0.944   2.047  -4.255
   68    HG   LEU   6           HG       LEU   6  -2.982   1.106  -5.265
   69   HD11  LEU   6          HD11      LEU   6  -1.053  -1.091  -5.632
   70   HD12  LEU   6          HD12      LEU   6  -0.431   0.539  -5.892
   71   HD13  LEU   6          HD13      LEU   6  -1.816  -0.035  -6.820
   72   HD21  LEU   6          HD21      LEU   6  -2.313  -1.431  -3.787
   73   HD22  LEU   6          HD22      LEU   6  -3.697  -1.125  -4.836
   74   HD23  LEU   6          HD23      LEU   6  -3.572  -0.305  -3.280
   75    H    ILE   7           HN       ILE   7   0.350   1.634  -0.893
   76    HA   ILE   7           HA       ILE   7   2.592   2.838  -2.121
   77    HB   ILE   7           HB       ILE   7   0.926   3.247   0.302
   78   HG12  ILE   7          HG12      ILE   7   1.217   5.656  -0.357
   79   HG13  ILE   7          HG11      ILE   7   2.219   5.133  -1.707
   80   HG21  ILE   7          HG21      ILE   7   3.090   3.055   1.345
   81   HG22  ILE   7          HG22      ILE   7   2.655   4.764   1.304
   82   HG23  ILE   7          HG23      ILE   7   3.830   4.125   0.154
   83   HD11  ILE   7          HD11      ILE   7   0.421   4.808  -2.944
   84   HD12  ILE   7          HD12      ILE   7  -0.573   5.410  -1.618
   85   HD13  ILE   7          HD13      ILE   7  -0.236   3.685  -1.753
   86    H    LEU   8           HN       LEU   8   1.752   0.938   0.562
   87    HA   LEU   8           HA       LEU   8   4.282   0.346   1.427
   88    HB2  LEU   8           HB2      LEU   8   2.574   0.038   2.920
   89    HB3  LEU   8           HB1      LEU   8   1.586  -0.737   1.708
   90    HG   LEU   8           HG       LEU   8   2.356  -2.213   3.610
   91   HD11  LEU   8          HD11      LEU   8   1.957  -2.784   0.951
   92   HD12  LEU   8          HD12      LEU   8   2.051  -3.956   2.265
   93   HD13  LEU   8          HD13      LEU   8   3.487  -3.584   1.312
   94   HD21  LEU   8          HD21      LEU   8   4.907  -2.874   2.500
   95   HD22  LEU   8          HD22      LEU   8   4.504  -2.361   4.138
   96   HD23  LEU   8          HD23      LEU   8   4.870  -1.157   2.902
   97    H    ARG   9           HN       ARG   9   2.665  -0.562  -1.227
   98    HA   ARG   9           HA       ARG   9   3.669  -3.170  -1.678
   99    HB2  ARG   9           HB2      ARG   9   2.431  -1.012  -3.312
  100    HB3  ARG   9           HB1      ARG   9   2.650  -2.664  -3.903
  101    HG2  ARG   9           HG2      ARG   9   1.001  -1.775  -1.529
  102    HG3  ARG   9           HG1      ARG   9   0.369  -2.294  -3.110
  103    HD2  ARG   9           HD2      ARG   9   1.786  -3.954  -1.038
  104    HD3  ARG   9           HD1      ARG   9   0.153  -4.162  -1.671
  105    HE   ARG   9           HE       ARG   9   2.562  -5.181  -2.792
  106   HH11  ARG   9          HH11      ARG   9  -0.599  -3.959  -3.628
  107   HH12  ARG   9          HH12      ARG   9  -0.678  -4.829  -5.123
  108   HH21  ARG   9          HH21      ARG   9   2.460  -6.325  -4.757
  109   HH22  ARG   9          HH22      ARG   9   1.060  -6.173  -5.764
  110    H    LEU  10           HN       LEU  10   4.392   0.034  -2.996
  111    HA   LEU  10           HA       LEU  10   6.719  -0.965  -4.440
  112    HB2  LEU  10           HB2      LEU  10   5.641   1.845  -4.113
  113    HB3  LEU  10           HB1      LEU  10   6.986   1.397  -5.146
  114    HG   LEU  10           HG       LEU  10   4.104   0.569  -5.486
  115   HD11  LEU  10          HD11      LEU  10   5.799   2.134  -7.401
  116   HD12  LEU  10          HD12      LEU  10   4.886   2.923  -6.114
  117   HD13  LEU  10          HD13      LEU  10   4.043   1.980  -7.344
  118   HD21  LEU  10          HD21      LEU  10   5.072  -0.338  -7.695
  119   HD22  LEU  10          HD22      LEU  10   5.274  -1.297  -6.229
  120   HD23  LEU  10          HD23      LEU  10   6.617  -0.333  -6.844
  121    H    LEU  11           HN       LEU  11   5.789   0.369  -1.514
  122    HA   LEU  11           HA       LEU  11   8.284   1.477  -0.653
  123    HB2  LEU  11           HB2      LEU  11   5.584   0.882   0.464
  124    HB3  LEU  11           HB1      LEU  11   6.891   1.279   1.578
  125    HG   LEU  11           HG       LEU  11   5.452   2.993  -0.385
  126   HD11  LEU  11          HD11      LEU  11   5.357   4.529   1.440
  127   HD12  LEU  11          HD12      LEU  11   6.535   3.592   2.360
  128   HD13  LEU  11          HD13      LEU  11   4.929   2.932   2.053
  129   HD21  LEU  11          HD21      LEU  11   8.311   3.399   0.473
  130   HD22  LEU  11          HD22      LEU  11   7.283   4.710  -0.105
  131   HD23  LEU  11          HD23      LEU  11   7.663   3.355  -1.168
  132    H    ARG  12           HN       ARG  12   6.420  -1.461  -0.234
  133    HA   ARG  12           HA       ARG  12   7.042  -3.580   0.378
  134    HB2  ARG  12           HB2      ARG  12   9.465  -2.460  -0.438
  135    HB3  ARG  12           HB1      ARG  12   9.805  -3.128   1.151
  136    HG2  ARG  12           HG2      ARG  12   9.438  -5.284   0.483
  137    HG3  ARG  12           HG1      ARG  12   8.334  -4.814  -0.808
  138    HD2  ARG  12           HD2      ARG  12  11.321  -4.854  -0.777
  139    HD3  ARG  12           HD1      ARG  12  10.207  -5.487  -1.986
  140    HE   ARG  12           HE       ARG  12  11.382  -2.923  -1.967
  141   HH11  ARG  12          HH11      ARG  12   8.370  -4.529  -2.700
  142   HH12  ARG  12          HH12      ARG  12   7.857  -3.318  -3.825
  143   HH21  ARG  12          HH21      ARG  12  10.705  -1.334  -3.449
  144   HH22  ARG  12          HH22      ARG  12   9.179  -1.508  -4.250
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1  -7.973   1.827   1.620
    2    H2   ARG   1           HT2      ARG   1  -8.480   2.043   3.244
    3    H3   ARG   1           HT3      ARG   1  -9.534   1.315   2.104
    4    HA   ARG   1           HA       ARG   1  -7.886   0.053   3.825
    5    HB2  ARG   1           HB2      ARG   1  -9.408  -0.679   1.351
    6    HB3  ARG   1           HB1      ARG   1  -8.441  -1.903   2.162
    7    HG2  ARG   1           HG2      ARG   1 -10.045  -2.234   3.646
    8    HG3  ARG   1           HG1      ARG   1 -10.003  -0.533   4.111
    9    HD2  ARG   1           HD2      ARG   1 -11.341  -0.455   1.723
   10    HD3  ARG   1           HD1      ARG   1 -11.901  -1.976   2.418
   11    HE   ARG   1           HE       ARG   1 -11.995   0.171   4.297
   12   HH11  ARG   1          HH11      ARG   1 -13.687  -1.287   1.614
   13   HH12  ARG   1          HH12      ARG   1 -15.237  -0.695   2.109
   14   HH21  ARG   1          HH21      ARG   1 -14.033   0.949   4.948
   15   HH22  ARG   1          HH22      ARG   1 -15.434   0.574   4.000
   16    H    ARG   2           HN       ARG   2  -7.302   0.533   0.345
   17    HA   ARG   2           HA       ARG   2  -4.579  -0.518   0.743
   18    HB2  ARG   2           HB2      ARG   2  -5.887  -0.230  -1.946
   19    HB3  ARG   2           HB1      ARG   2  -4.551  -1.272  -1.478
   20    HG2  ARG   2           HG2      ARG   2  -6.284  -2.770  -1.692
   21    HG3  ARG   2           HG1      ARG   2  -6.314  -2.425   0.038
   22    HD2  ARG   2           HD2      ARG   2  -8.387  -1.636  -0.098
   23    HD3  ARG   2           HD1      ARG   2  -7.926  -0.516  -1.379
   24    HE   ARG   2           HE       ARG   2  -9.270  -3.035  -1.679
   25   HH11  ARG   2          HH11      ARG   2  -7.230  -0.692  -3.268
   26   HH12  ARG   2          HH12      ARG   2  -7.732  -1.148  -4.860
   27   HH21  ARG   2          HH21      ARG   2  -9.936  -3.632  -3.773
   28   HH22  ARG   2          HH22      ARG   2  -9.268  -2.816  -5.147
   29    H    LEU   3           HN       LEU   3  -5.079   2.089   1.498
   30    HA   LEU   3           HA       LEU   3  -4.273   3.851  -0.667
   31    HB2  LEU   3           HB2      LEU   3  -4.170   5.519   1.329
   32    HB3  LEU   3           HB1      LEU   3  -5.721   4.995   0.713
   33    HG   LEU   3           HG       LEU   3  -4.559   3.467   2.987
   34   HD11  LEU   3          HD11      LEU   3  -5.723   5.172   4.504
   35   HD12  LEU   3          HD12      LEU   3  -5.559   6.285   3.146
   36   HD13  LEU   3          HD13      LEU   3  -4.122   5.572   3.881
   37   HD21  LEU   3          HD21      LEU   3  -6.590   2.586   2.871
   38   HD22  LEU   3          HD22      LEU   3  -7.085   3.767   1.658
   39   HD23  LEU   3          HD23      LEU   3  -7.252   4.141   3.374
   40    H    ILE   4           HN       ILE   4  -3.041   2.818   2.458
   41    HA   ILE   4           HA       ILE   4  -0.417   3.833   2.025
   42    HB   ILE   4           HB       ILE   4   0.163   2.677   4.125
   43   HG12  ILE   4          HG12      ILE   4  -2.737   1.930   4.386
   44   HG13  ILE   4          HG11      ILE   4  -1.597   0.836   3.607
   45   HG21  ILE   4          HG21      ILE   4  -0.949   4.160   5.532
   46   HG22  ILE   4          HG22      ILE   4  -2.424   4.121   4.566
   47   HG23  ILE   4          HG23      ILE   4  -0.998   4.968   3.965
   48   HD11  ILE   4          HD11      ILE   4  -1.784   0.168   5.865
   49   HD12  ILE   4          HD12      ILE   4  -1.561   1.819   6.444
   50   HD13  ILE   4          HD13      ILE   4  -0.216   0.957   5.697
   51    H    ARG   5           HN       ARG   5  -2.105   1.150   1.201
   52    HA   ARG   5           HA       ARG   5  -0.091  -0.827   1.166
   53    HB2  ARG   5           HB2      ARG   5  -2.830  -0.671  -0.061
   54    HB3  ARG   5           HB1      ARG   5  -1.830  -2.131  -0.018
   55    HG2  ARG   5           HG2      ARG   5  -2.537  -0.508   2.399
   56    HG3  ARG   5           HG1      ARG   5  -3.450  -1.961   1.867
   57    HD2  ARG   5           HD2      ARG   5  -0.651  -2.526   1.788
   58    HD3  ARG   5           HD1      ARG   5  -1.050  -1.826   3.373
   59    HE   ARG   5           HE       ARG   5  -2.832  -3.937   2.531
   60   HH11  ARG   5          HH11      ARG   5   0.125  -3.170   4.221
   61   HH12  ARG   5          HH12      ARG   5   0.114  -4.625   5.159
   62   HH21  ARG   5          HH21      ARG   5  -2.849  -5.852   3.768
   63   HH22  ARG   5          HH22      ARG   5  -1.572  -6.149   4.901
   64    H    LEU   6           HN       LEU   6  -1.887   0.590  -1.596
   65    HA   LEU   6           HA       LEU   6  -0.228  -0.394  -3.574
   66    HB2  LEU   6           HB2      LEU   6  -2.091   1.845  -3.326
   67    HB3  LEU   6           HB1      LEU   6  -0.760   2.221  -4.403
   68    HG   LEU   6           HG       LEU   6  -2.768   1.329  -5.561
   69   HD11  LEU   6          HD11      LEU   6  -0.694  -0.742  -5.976
   70   HD12  LEU   6          HD12      LEU   6  -0.209   0.943  -6.171
   71   HD13  LEU   6          HD13      LEU   6  -1.526   0.285  -7.143
   72   HD21  LEU   6          HD21      LEU   6  -3.178  -0.321  -3.588
   73   HD22  LEU   6          HD22      LEU   6  -2.099  -1.379  -4.498
   74   HD23  LEU   6          HD23      LEU   6  -3.592  -0.797  -5.235
   75    H    ILE   7           HN       ILE   7   0.379   1.701  -1.050
   76    HA   ILE   7           HA       ILE   7   2.737   2.826  -2.142
   77    HB   ILE   7           HB       ILE   7   0.986   3.267   0.230
   78   HG12  ILE   7          HG12      ILE   7   1.380   5.691  -0.468
   79   HG13  ILE   7          HG11      ILE   7   2.256   5.066  -1.862
   80   HG21  ILE   7          HG21      ILE   7   3.164   3.078   1.278
   81   HG22  ILE   7          HG22      ILE   7   2.691   4.777   1.254
   82   HG23  ILE   7          HG23      ILE   7   3.884   4.177   0.100
   83   HD11  ILE   7          HD11      ILE   7   0.357   4.810  -2.954
   84   HD12  ILE   7          HD12      ILE   7  -0.516   5.469  -1.570
   85   HD13  ILE   7          HD13      ILE   7  -0.246   3.730  -1.697
   86    H    LEU   8           HN       LEU   8   1.631   0.877   0.402
   87    HA   LEU   8           HA       LEU   8   4.039   0.172   1.501
   88    HB2  LEU   8           HB2      LEU   8   1.491  -0.141   2.069
   89    HB3  LEU   8           HB1      LEU   8   1.819  -1.733   1.433
   90    HG   LEU   8           HG       LEU   8   1.957  -1.574   3.925
   91   HD11  LEU   8          HD11      LEU   8   3.407  -3.083   2.240
   92   HD12  LEU   8          HD12      LEU   8   3.505  -3.211   3.997
   93   HD13  LEU   8          HD13      LEU   8   4.704  -2.266   3.112
   94   HD21  LEU   8          HD21      LEU   8   4.496  -0.035   3.422
   95   HD22  LEU   8          HD22      LEU   8   3.771  -0.447   4.975
   96   HD23  LEU   8          HD23      LEU   8   2.976   0.714   3.912
   97    H    ARG   9           HN       ARG   9   2.676  -0.570  -1.347
   98    HA   ARG   9           HA       ARG   9   3.712  -3.169  -1.809
   99    HB2  ARG   9           HB2      ARG   9   2.543  -0.985  -3.462
  100    HB3  ARG   9           HB1      ARG   9   2.758  -2.643  -4.039
  101    HG2  ARG   9           HG2      ARG   9   1.046  -1.728  -1.714
  102    HG3  ARG   9           HG1      ARG   9   0.453  -2.228  -3.319
  103    HD2  ARG   9           HD2      ARG   9   1.802  -3.923  -1.227
  104    HD3  ARG   9           HD1      ARG   9   0.170  -4.093  -1.872
  105    HE   ARG   9           HE       ARG   9   2.564  -5.164  -2.979
  106   HH11  ARG   9          HH11      ARG   9  -0.567  -3.874  -3.828
  107   HH12  ARG   9          HH12      ARG   9  -0.652  -4.730  -5.330
  108   HH21  ARG   9          HH21      ARG   9   2.452  -6.293  -4.958
  109   HH22  ARG   9          HH22      ARG   9   1.061  -6.102  -5.972
  110    H    LEU  10           HN       LEU  10   4.511   0.095  -2.933
  111    HA   LEU  10           HA       LEU  10   6.890  -0.857  -4.322
  112    HB2  LEU  10           HB2      LEU  10   5.878   1.961  -3.858
  113    HB3  LEU  10           HB1      LEU  10   7.238   1.528  -4.876
  114    HG   LEU  10           HG       LEU  10   4.350   0.789  -5.358
  115   HD11  LEU  10          HD11      LEU  10   6.143   2.931  -6.355
  116   HD12  LEU  10          HD12      LEU  10   4.405   2.955  -6.051
  117   HD13  LEU  10          HD13      LEU  10   5.036   2.182  -7.506
  118   HD21  LEU  10          HD21      LEU  10   5.499   0.170  -7.651
  119   HD22  LEU  10          HD22      LEU  10   5.409  -0.990  -6.325
  120   HD23  LEU  10          HD23      LEU  10   6.899  -0.091  -6.610
  121    H    LEU  11           HN       LEU  11   5.812   0.458  -1.406
  122    HA   LEU  11           HA       LEU  11   8.236   1.435  -0.306
  123    HB2  LEU  11           HB2      LEU  11   5.498   0.695   0.623
  124    HB3  LEU  11           HB1      LEU  11   6.745   1.001   1.830
  125    HG   LEU  11           HG       LEU  11   5.390   2.884  -0.041
  126   HD11  LEU  11          HD11      LEU  11   6.291   3.257   2.804
  127   HD12  LEU  11          HD12      LEU  11   4.735   2.557   2.358
  128   HD13  LEU  11          HD13      LEU  11   5.119   4.217   1.900
  129   HD21  LEU  11          HD21      LEU  11   8.173   3.248   1.055
  130   HD22  LEU  11          HD22      LEU  11   7.163   4.582   0.497
  131   HD23  LEU  11          HD23      LEU  11   7.656   3.318  -0.630
  132    H    ARG  12           HN       ARG  12   6.371  -1.558  -0.070
  133    HA   ARG  12           HA       ARG  12   7.009  -3.701   0.434
  134    HB2  ARG  12           HB2      ARG  12   9.335  -2.630  -0.546
  135    HB3  ARG  12           HB1      ARG  12   9.827  -3.146   1.060
  136    HG2  ARG  12           HG2      ARG  12   9.748  -5.314   0.522
  137    HG3  ARG  12           HG1      ARG  12   8.258  -5.132  -0.406
  138    HD2  ARG  12           HD2      ARG  12  10.990  -4.301  -1.374
  139    HD3  ARG  12           HD1      ARG  12  10.216  -5.833  -1.768
  140    HE   ARG  12           HE       ARG  12   8.654  -4.686  -3.096
  141   HH11  ARG  12          HH11      ARG  12  11.025  -2.525  -1.702
  142   HH12  ARG  12          HH12      ARG  12  10.663  -1.234  -2.794
  143   HH21  ARG  12          HH21      ARG  12   8.185  -2.984  -4.523
  144   HH22  ARG  12          HH22      ARG  12   9.053  -1.491  -4.392
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  -8.508   1.454   0.591
    2    H2   ARG   1           HT2      ARG   1  -8.695   2.235   2.107
    3    H3   ARG   1           HT3      ARG   1  -9.952   1.244   1.490
    4    HA   ARG   1           HA       ARG   1  -8.451   0.336   3.290
    5    HB2  ARG   1           HB2      ARG   1  -9.626  -0.817   0.871
    6    HB3  ARG   1           HB1      ARG   1  -8.361  -1.823   1.563
    7    HG2  ARG   1           HG2      ARG   1 -10.206  -2.625   2.649
    8    HG3  ARG   1           HG1      ARG   1  -9.652  -1.403   3.795
    9    HD2  ARG   1           HD2      ARG   1 -11.638  -0.711   1.664
   10    HD3  ARG   1           HD1      ARG   1 -12.160  -1.493   3.156
   11    HE   ARG   1           HE       ARG   1 -10.527   0.834   3.580
   12   HH11  ARG   1          HH11      ARG   1 -13.776  -0.320   3.042
   13   HH12  ARG   1          HH12      ARG   1 -14.521   1.058   3.780
   14   HH21  ARG   1          HH21      ARG   1 -11.505   2.646   4.552
   15   HH22  ARG   1          HH22      ARG   1 -13.232   2.742   4.637
   16    H    ARG   2           HN       ARG   2  -7.224   0.106  -0.056
   17    HA   ARG   2           HA       ARG   2  -4.563  -0.494   1.005
   18    HB2  ARG   2           HB2      ARG   2  -5.110  -0.440  -1.926
   19    HB3  ARG   2           HB1      ARG   2  -4.059  -1.503  -1.002
   20    HG2  ARG   2           HG2      ARG   2  -5.635  -3.045  -1.317
   21    HG3  ARG   2           HG1      ARG   2  -6.537  -2.188  -0.066
   22    HD2  ARG   2           HD2      ARG   2  -6.986  -0.822  -2.498
   23    HD3  ARG   2           HD1      ARG   2  -7.178  -2.543  -2.830
   24    HE   ARG   2           HE       ARG   2  -8.622  -2.214  -0.582
   25   HH11  ARG   2          HH11      ARG   2  -8.581  -0.499  -3.622
   26   HH12  ARG   2          HH12      ARG   2 -10.256  -0.066  -3.542
   27   HH21  ARG   2          HH21      ARG   2 -10.826  -1.645  -0.478
   28   HH22  ARG   2          HH22      ARG   2 -11.529  -0.715  -1.758
   29    H    LEU   3           HN       LEU   3  -4.923   1.963   1.666
   30    HA   LEU   3           HA       LEU   3  -4.180   3.808  -0.458
   31    HB2  LEU   3           HB2      LEU   3  -3.990   5.361   1.688
   32    HB3  LEU   3           HB1      LEU   3  -5.528   5.003   0.931
   33    HG   LEU   3           HG       LEU   3  -4.626   3.217   3.135
   34   HD11  LEU   3          HD11      LEU   3  -4.918   4.674   4.834
   35   HD12  LEU   3          HD12      LEU   3  -6.105   5.635   3.952
   36   HD13  LEU   3          HD13      LEU   3  -4.385   5.838   3.621
   37   HD21  LEU   3          HD21      LEU   3  -6.661   2.492   2.477
   38   HD22  LEU   3          HD22      LEU   3  -7.128   4.060   1.821
   39   HD23  LEU   3          HD23      LEU   3  -7.219   3.768   3.558
   40    H    ILE   4           HN       ILE   4  -2.879   2.931   2.701
   41    HA   ILE   4           HA       ILE   4  -0.273   3.898   2.147
   42    HB   ILE   4           HB       ILE   4   0.371   2.806   4.270
   43   HG12  ILE   4          HG12      ILE   4  -2.536   2.118   4.629
   44   HG13  ILE   4          HG11      ILE   4  -1.419   0.970   3.898
   45   HG21  ILE   4          HG21      ILE   4  -0.509   4.471   5.540
   46   HG22  ILE   4          HG22      ILE   4  -2.143   4.233   4.921
   47   HG23  ILE   4          HG23      ILE   4  -0.948   5.090   3.948
   48   HD11  ILE   4          HD11      ILE   4  -1.157   0.280   6.011
   49   HD12  ILE   4          HD12      ILE   4  -1.708   1.811   6.691
   50   HD13  ILE   4          HD13      ILE   4  -0.048   1.647   6.119
   51    H    ARG   5           HN       ARG   5  -1.964   1.176   1.475
   52    HA   ARG   5           HA       ARG   5   0.087  -0.776   1.442
   53    HB2  ARG   5           HB2      ARG   5  -2.721  -0.699   0.369
   54    HB3  ARG   5           HB1      ARG   5  -1.698  -2.144   0.384
   55    HG2  ARG   5           HG2      ARG   5  -2.270  -0.470   2.800
   56    HG3  ARG   5           HG1      ARG   5  -3.201  -1.943   2.364
   57    HD2  ARG   5           HD2      ARG   5  -0.430  -2.522   2.109
   58    HD3  ARG   5           HD1      ARG   5  -0.684  -1.730   3.677
   59    HE   ARG   5           HE       ARG   5  -1.941  -3.548   4.395
   60   HH11  ARG   5          HH11      ARG   5  -1.107  -3.911   1.021
   61   HH12  ARG   5          HH12      ARG   5  -1.577  -5.575   0.959
   62   HH21  ARG   5          HH21      ARG   5  -2.558  -5.734   4.308
   63   HH22  ARG   5          HH22      ARG   5  -2.401  -6.610   2.821
   64    H    LEU   6           HN       LEU   6  -1.893   0.495  -1.263
   65    HA   LEU   6           HA       LEU   6  -0.332  -0.527  -3.299
   66    HB2  LEU   6           HB2      LEU   6  -2.225   1.685  -3.026
   67    HB3  LEU   6           HB1      LEU   6  -0.976   2.026  -4.209
   68    HG   LEU   6           HG       LEU   6  -3.035   1.034  -5.183
   69   HD11  LEU   6          HD11      LEU   6  -1.682  -0.974  -6.256
   70   HD12  LEU   6          HD12      LEU   6  -0.336  -0.170  -5.449
   71   HD13  LEU   6          HD13      LEU   6  -1.309   0.708  -6.630
   72   HD21  LEU   6          HD21      LEU   6  -3.099  -0.574  -3.037
   73   HD22  LEU   6          HD22      LEU   6  -2.311  -1.650  -4.191
   74   HD23  LEU   6          HD23      LEU   6  -3.892  -0.963  -4.564
   75    H    ILE   7           HN       ILE   7   0.379   1.676  -0.897
   76    HA   ILE   7           HA       ILE   7   2.636   2.808  -2.178
   77    HB   ILE   7           HB       ILE   7   1.013   3.297   0.269
   78   HG12  ILE   7          HG12      ILE   7   1.352   5.701  -0.484
   79   HG13  ILE   7          HG11      ILE   7   2.209   5.072  -1.887
   80   HG21  ILE   7          HG21      ILE   7   3.237   3.125   1.226
   81   HG22  ILE   7          HG22      ILE   7   2.751   4.820   1.201
   82   HG23  ILE   7          HG23      ILE   7   3.898   4.214   0.006
   83   HD11  ILE   7          HD11      ILE   7   0.278   4.856  -2.932
   84   HD12  ILE   7          HD12      ILE   7  -0.585   5.398  -1.492
   85   HD13  ILE   7          HD13      ILE   7  -0.238   3.684  -1.720
   86    H    LEU   8           HN       LEU   8   1.740   0.960   0.523
   87    HA   LEU   8           HA       LEU   8   4.224   0.307   1.467
   88    HB2  LEU   8           HB2      LEU   8   1.806   0.063   2.324
   89    HB3  LEU   8           HB1      LEU   8   1.920  -1.516   1.593
   90    HG   LEU   8           HG       LEU   8   2.369  -1.498   4.050
   91   HD11  LEU   8          HD11      LEU   8   3.487  -3.020   2.138
   92   HD12  LEU   8          HD12      LEU   8   3.785  -3.245   3.862
   93   HD13  LEU   8          HD13      LEU   8   4.939  -2.345   2.877
   94   HD21  LEU   8          HD21      LEU   8   5.010  -0.238   3.395
   95   HD22  LEU   8          HD22      LEU   8   4.260  -0.485   4.972
   96   HD23  LEU   8          HD23      LEU   8   3.620   0.737   3.872
   97    H    ARG   9           HN       ARG   9   2.673  -0.572  -1.244
   98    HA   ARG   9           HA       ARG   9   3.672  -3.190  -1.657
   99    HB2  ARG   9           HB2      ARG   9   2.440  -1.063  -3.339
  100    HB3  ARG   9           HB1      ARG   9   2.631  -2.739  -3.869
  101    HG2  ARG   9           HG2      ARG   9   1.022  -1.754  -1.502
  102    HG3  ARG   9           HG1      ARG   9   0.358  -2.289  -3.066
  103    HD2  ARG   9           HD2      ARG   9   1.782  -3.942  -0.992
  104    HD3  ARG   9           HD1      ARG   9   0.125  -4.117  -1.570
  105    HE   ARG   9           HE       ARG   9   2.471  -5.223  -2.744
  106   HH11  ARG   9          HH11      ARG   9  -0.683  -3.936  -3.505
  107   HH12  ARG   9          HH12      ARG   9  -0.831  -4.833  -4.978
  108   HH21  ARG   9          HH21      ARG   9   2.278  -6.401  -4.684
  109   HH22  ARG   9          HH22      ARG   9   0.849  -6.232  -5.648
  110    H    LEU  10           HN       LEU  10   4.428   0.014  -2.958
  111    HA   LEU  10           HA       LEU  10   6.743  -1.006  -4.406
  112    HB2  LEU  10           HB2      LEU  10   5.695   1.813  -4.052
  113    HB3  LEU  10           HB1      LEU  10   7.054   1.370  -5.067
  114    HG   LEU  10           HG       LEU  10   4.174   0.563  -5.470
  115   HD11  LEU  10          HD11      LEU  10   6.000   2.549  -6.753
  116   HD12  LEU  10          HD12      LEU  10   4.323   2.733  -6.241
  117   HD13  LEU  10          HD13      LEU  10   4.705   1.801  -7.688
  118   HD21  LEU  10          HD21      LEU  10   5.282  -0.243  -7.713
  119   HD22  LEU  10          HD22      LEU  10   5.243  -1.289  -6.294
  120   HD23  LEU  10          HD23      LEU  10   6.713  -0.401  -6.693
  121    H    LEU  11           HN       LEU  11   5.797   0.504  -1.527
  122    HA   LEU  11           HA       LEU  11   8.273   1.517  -0.588
  123    HB2  LEU  11           HB2      LEU  11   5.581   0.838   0.504
  124    HB3  LEU  11           HB1      LEU  11   6.879   1.223   1.630
  125    HG   LEU  11           HG       LEU  11   5.401   2.970  -0.266
  126   HD11  LEU  11          HD11      LEU  11   5.254   4.427   1.598
  127   HD12  LEU  11          HD12      LEU  11   6.521   3.558   2.463
  128   HD13  LEU  11          HD13      LEU  11   4.950   2.799   2.205
  129   HD21  LEU  11          HD21      LEU  11   8.247   3.453   0.604
  130   HD22  LEU  11          HD22      LEU  11   7.179   4.711  -0.019
  131   HD23  LEU  11          HD23      LEU  11   7.632   3.350  -1.046
  132    H    ARG  12           HN       ARG  12   6.495  -1.481  -0.351
  133    HA   ARG  12           HA       ARG  12   7.328  -3.623   0.006
  134    HB2  ARG  12           HB2      ARG  12   9.690  -2.455  -0.270
  135    HB3  ARG  12           HB1      ARG  12   9.736  -2.639   1.475
  136    HG2  ARG  12           HG2      ARG  12  10.768  -4.565   0.793
  137    HG3  ARG  12           HG1      ARG  12   9.100  -5.111   0.961
  138    HD2  ARG  12           HD2      ARG  12  10.352  -5.814  -1.142
  139    HD3  ARG  12           HD1      ARG  12   8.751  -5.113  -1.358
  140    HE   ARG  12           HE       ARG  12  11.311  -3.879  -2.041
  141   HH11  ARG  12          HH11      ARG  12   7.828  -3.643  -1.911
  142   HH12  ARG  12          HH12      ARG  12   7.757  -2.307  -3.008
  143   HH21  ARG  12          HH21      ARG  12  11.209  -2.112  -3.474
  144   HH22  ARG  12          HH22      ARG  12   9.669  -1.435  -3.886