*HEADER    HORMONE/GROWTH FACTOR                   05-MAY-04   1T5Q              
*TITLE     SOLUTION STRUCTURE OF GIP(1-30)AMIDE IN TFE/WATER                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GASTRIC INHIBITORY POLYPEPTIDE;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-30;                                             
*COMPND   5 SYNONYM: GIP, GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE;          
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED, THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE CAN BE NATURALLY FOUND IN HOMO               
*SOURCE   5 SAPIENS (HUMAN)                                                      
*KEYWDS    GIP, NMR, MOLECULAR MODELLING, HELIX, DIABETES, OBESITY               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    I.ALANA, C.M.HEWAGE, J.P.G.MALTHOUSE, J.C.PARKER, V.A.GAULT,          
*AUTHOR   2 F.P.M.O'HARTE                                                        
*REVDAT   1   16-NOV-04 1T5Q    0                                                
25	TRP	HE1	25	TRP	HZ2	2.80
25	TRP	HE1	25	TRP	HD1	2.80
25	TRP	HE1	29	GLN	HE21	5.00
25	TRP	HE1	29	GLN	HE22	5.00
25	TRP	HE1	25	TRP	HB3	5.00
21	ASP	HN	20	GLN	HN	2.80
21	ASP	HN	22	PHE	HN	3.60
21	ASP	HN	21	ASP	HA	3.60
21	ASP	HN	18	HIS	HA	5.00
21	ASP	HN	19	GLN	HA	5.00
21	ASP	HN	20	GLN	HA	5.00
21	ASP	HN	17	ILE	HA	6.00
21	ASP	HN	21	ASP	HB2	2.80
21	ASP	HN	21	ASP	HB3	5.00
21	ASP	HN	20	GLN	HB2	5.00
21	ASP	HN	20	GLN	HB3	5.00
26	LEU	HN	27	LEU	HN	3.60
26	LEU	HN	25	TRP	HN	3.60
26	LEU	HN	25	TRP	HE3	5.00
26	LEU	HN	22	PHE	HA	5.00
26	LEU	HN	25	TRP	HA	5.00
26	LEU	HN	25	TRP	HB2	3.60
26	LEU	HN	23	VAL	HA	5.00
26	LEU	HN	26	LEU	HA	2.80
26	LEU	HN	25	TRP	HB3	5.00
26	LEU	HN	26	LEU	QB	3.40
26	LEU	HN	26	LEU	HG	2.80
26	LEU	HN	26	LEU	QD1	6.00
26	LEU	HN	26	LEU	QD2	6.00
2	ALA	HN	2	ALA	HA	3.60
2	ALA	HN	1	TYR	HA	2.80
2	ALA	HN	1	TYR	HB2	5.00
2	ALA	HN	1	TYR	HB3	5.00
2	ALA	HN	2	ALA	QB	6.00
17	ILE	HN	15	ASP	HN	5.00
17	ILE	HN	14	MET	HA	5.00
17	ILE	HN	16	LYS	HA	5.00
17	ILE	HN	13	ALA	HA	5.00
17	ILE	HN	17	ILE	HA	3.60
17	ILE	HN	16	LYS	HB2	2.80
17	ILE	HN	16	LYS	HB3	5.00
17	ILE	HN	17	ILE	HB	2.80
17	ILE	HN	17	ILE	HG12	3.60
17	ILE	HN	17	ILE	HG13	5.00
17	ILE	HN	17	ILE	QG2	6.00
17	ILE	HN	17	ILE	QD1	6.00
3	GLU	HN	2	ALA	HA	2.80
3	GLU	HN	3	GLU	HA	2.80
3	GLU	HN	3	GLU	QG	5.60
3	GLU	HN	3	GLU	HB2	3.60
3	GLU	HN	3	GLU	HB3	2.80
3	GLU	HN	2	ALA	QB	6.00
23	VAL	HN	24	ASN	HN	2.80
23	VAL	HN	22	PHE	HN	3.60
23	VAL	HN	25	TRP	HN	5.00
23	VAL	HN	22	PHE	HA	5.00
23	VAL	HN	20	GLN	HA	3.60
23	VAL	HN	23	VAL	HA	2.80
23	VAL	HN	22	PHE	HB2	5.00
23	VAL	HN	22	PHE	HB3	5.00
23	VAL	HN	20	GLN	HB2	5.00
23	VAL	HN	23	VAL	HB	2.80
23	VAL	HN	23	VAL	QG1	6.00
23	VAL	HN	23	VAL	QG2	6.00
10	TYR	HN	9	ASP	HN	2.80
10	TYR	HN	11	SER	HN	3.60
23	VAL	HN	19	GLN	HA	5.00
10	TYR	HN	6	PHE	HA	5.00
10	TYR	HN	10	TYR	HA	2.80
10	TYR	HN	7	ILE	HA	5.00
10	TYR	HN	9	ASP	HA	3.60
10	TYR	HN	10	TYR	HB2	2.80
10	TYR	HN	9	ASP	HB2	2.80
10	TYR	HN	10	TYR	HB3	2.80
10	TYR	HN	9	ASP	HB3	5.00
19	GLN	HN	18	HIS	HA	3.60
19	GLN	HN	19	GLN	HA	2.80
19	GLN	HN	17	ILE	HA	5.00
19	GLN	HN	18	HIS	HB2	3.60
19	GLN	HN	18	HIS	HB3	3.60
19	GLN	HN	19	GLN	QG	5.60
19	GLN	HN	19	GLN	HB2	5.00
19	GLN	HN	19	GLN	HB3	2.80
16	LYS	HN	15	ASP	HN	2.80
16	LYS	HN	16	LYS	HA	2.80
16	LYS	HN	13	ALA	HA	3.60
16	LYS	HN	12	ILE	HA	5.00
16	LYS	HN	15	ASP	HB2	3.60
16	LYS	HN	15	ASP	HB3	2.80
16	LYS	HN	16	LYS	HB2	2.80
16	LYS	HN	16	LYS	HB3	2.80
16	LYS	HN	14	MET	QE	6.00
16	LYS	HN	16	LYS	QD	5.60
16	LYS	HN	16	LYS	QG	5.60
16	LYS	HN	12	ILE	QG2	6.00
27	LEU	HN	25	TRP	HN	5.00
27	LEU	HN	28	ALA	HN	3.60
27	LEU	HN	29	GLN	HN	5.00
27	LEU	HN	24	ASN	HA	5.00
27	LEU	HN	25	TRP	HA	5.00
27	LEU	HN	27	LEU	HA	2.80
27	LEU	HN	23	VAL	HA	5.00
27	LEU	HN	26	LEU	HA	5.00
27	LEU	HN	27	LEU	HB2	2.80
27	LEU	HN	27	LEU	HB3	3.60
27	LEU	HN	26	LEU	QB	3.40
27	LEU	HN	26	LEU	HG	2.80
27	LEU	HN	27	LEU	HG	2.80
27	LEU	HN	23	VAL	QG1	6.00
27	LEU	HN	23	VAL	QG2	6.00
27	LEU	HN	27	LEU	QD1	6.00
27	LEU	HN	27	LEU	QD2	6.00
4	GLY	HN	6	PHE	HN	5.00
4	GLY	HN	5	THR	HN	3.60
4	GLY	HN	2	ALA	HA	5.00
4	GLY	HN	3	GLU	HA	2.80
4	GLY	HN	4	GLY	HA1	2.80
4	GLY	HN	4	GLY	HA2	2.80
4	GLY	HN	3	GLU	QG	5.60
4	GLY	HN	3	GLU	HB2	5.00
4	GLY	HN	3	GLU	HB3	3.60
4	GLY	HN	2	ALA	QB	6.00
18	HIS	HN	15	ASP	HA	2.80
18	HIS	HN	18	HIS	HA	2.80
18	HIS	HN	14	MET	HA	5.00
18	HIS	HN	16	LYS	HA	5.00
18	HIS	HN	17	ILE	HA	5.00
18	HIS	HN	18	HIS	HB2	2.80
18	HIS	HN	18	HIS	HB3	2.80
18	HIS	HN	17	ILE	HB	2.80
18	HIS	HN	14	MET	QE	6.00
18	HIS	HN	17	ILE	QG2	6.00
20	GLN	HN	19	GLN	HA	5.00
20	GLN	HN	16	LYS	HA	5.00
20	GLN	HN	20	GLN	HA	2.80
20	GLN	HN	17	ILE	HA	5.00
20	GLN	HN	20	GLN	HG2	5.00
20	GLN	HN	20	GLN	HG3	5.00
20	GLN	HN	19	GLN	HB3	2.80
20	GLN	HN	20	GLN	HB2	2.80
20	GLN	HN	20	GLN	HB3	2.80
24	ASN	HN	22	PHE	HN	5.00
24	ASN	HN	25	TRP	HN	3.60
24	ASN	HN	24	ASN	HD21	5.00
24	ASN	HN	21	ASP	HA	5.00
24	ASN	HN	22	PHE	HA	5.00
24	ASN	HN	24	ASN	HA	2.80
24	ASN	HN	23	VAL	HA	5.00
24	ASN	HN	24	ASN	HB2	2.80
24	ASN	HN	24	ASN	HB3	2.80
24	ASN	HN	23	VAL	HB	2.80
24	ASN	HN	23	VAL	QG1	6.00
24	ASN	HN	23	VAL	QG2	6.00
9	ASP	HN	11	SER	HN	5.00
9	ASP	HN	8	SER	HN	2.80
9	ASP	HN	7	ILE	HN	5.00
9	ASP	HN	9	ASP	HA	2.80
9	ASP	HN	6	PHE	HA	5.00
9	ASP	HN	8	SER	HA	3.60
9	ASP	HN	5	THR	HA	5.00
9	ASP	HN	8	SER	HB2	2.80
9	ASP	HN	8	SER	HB3	5.00
9	ASP	HN	6	PHE	QB	5.60
9	ASP	HN	9	ASP	HB2	2.80
9	ASP	HN	9	ASP	HB3	3.60
14	MET	HN	15	ASP	HN	2.80
14	MET	HN	13	ALA	HN	2.80
14	MET	HN	12	ILE	HN	5.00
14	MET	HN	14	MET	HA	3.60
14	MET	HN	10	TYR	HA	5.00
14	MET	HN	13	ALA	HA	5.00
14	MET	HN	14	MET	QG	5.60
14	MET	HN	14	MET	HB2	3.60
14	MET	HN	14	MET	HB3	2.80
14	MET	HN	14	MET	QE	6.00
14	MET	HN	13	ALA	QB	6.00
22	PHE	HN	21	ASP	HA	5.00
22	PHE	HN	22	PHE	HA	2.80
22	PHE	HN	19	GLN	HA	5.00
22	PHE	HN	20	GLN	HA	5.00
22	PHE	HN	22	PHE	HB2	2.80
22	PHE	HN	22	PHE	HB3	2.80
22	PHE	HN	21	ASP	HB2	2.80
22	PHE	HN	21	ASP	HB3	5.00
22	PHE	HN	20	GLN	HB2	6.00
22	PHE	HN	20	GLN	HB3	5.00
15	ASP	HN	13	ALA	HN	5.00
15	ASP	HN	15	ASP	HA	2.80
15	ASP	HN	14	MET	HA	5.00
15	ASP	HN	11	SER	HA	5.00
15	ASP	HN	12	ILE	HA	5.00
15	ASP	HN	15	ASP	HB2	2.80
15	ASP	HN	15	ASP	HB3	5.00
15	ASP	HN	14	MET	HB3	5.00
15	ASP	HN	14	MET	QE	6.00
11	SER	HN	13	ALA	HN	5.00
11	SER	HN	12	ILE	HN	5.00
11	SER	HN	9	ASP	HA	5.00
11	SER	HN	8	SER	HA	5.00
11	SER	HN	10	TYR	HA	5.00
11	SER	HN	11	SER	HB2	3.60
11	SER	HN	11	SER	HA	2.80
11	SER	HN	11	SER	HB3	3.60
11	SER	HN	7	ILE	HA	5.00
11	SER	HN	10	TYR	HB2	5.00
11	SER	HN	10	TYR	HB3	5.00
25	TRP	HN	25	TRP	HE3	5.00
25	TRP	HN	25	TRP	HD1	6.00
25	TRP	HN	21	ASP	HA	5.00
25	TRP	HN	22	PHE	HA	5.00
25	TRP	HN	24	ASN	HA	5.00
25	TRP	HN	25	TRP	HA	2.80
25	TRP	HN	25	TRP	HB2	2.80
25	TRP	HN	25	TRP	HB3	2.80
25	TRP	HN	24	ASN	HB2	5.00
25	TRP	HN	24	ASN	HB3	5.00
6	PHE	HN	7	ILE	HN	3.60
6	PHE	HN	5	THR	HN	3.60
6	PHE	HN	6	PHE	HA	2.80
6	PHE	HN	3	GLU	HA	5.00
6	PHE	HN	5	THR	HA	2.80
6	PHE	HN	6	PHE	QB	3.40
8	SER	HN	7	ILE	HN	2.80
8	SER	HN	6	PHE	HA	5.00
8	SER	HN	8	SER	HA	2.80
8	SER	HN	5	THR	HA	5.00
8	SER	HN	8	SER	HB2	2.80
8	SER	HN	8	SER	HB3	3.60
8	SER	HN	7	ILE	HA	3.60
8	SER	HN	6	PHE	QB	5.60
8	SER	HN	7	ILE	HB	5.00
8	SER	HN	7	ILE	QG2	6.00
13	ALA	HN	12	ILE	HN	2.80
13	ALA	HN	9	ASP	HA	5.00
13	ALA	HN	10	TYR	HA	5.00
13	ALA	HN	13	ALA	HA	2.80
13	ALA	HN	12	ILE	HA	5.00
13	ALA	HN	12	ILE	HB	2.80
13	ALA	HN	12	ILE	HG12	5.00
13	ALA	HN	13	ALA	QB	4.60
13	ALA	HN	12	ILE	QG2	6.00
12	ILE	HN	9	ASP	HA	5.00
12	ILE	HN	11	SER	HB2	5.00
12	ILE	HN	11	SER	HA	5.00
12	ILE	HN	11	SER	HB3	5.00
12	ILE	HN	12	ILE	HA	3.60
12	ILE	HN	12	ILE	HB	2.80
12	ILE	HN	12	ILE	HG12	3.60
12	ILE	HN	12	ILE	HG13	5.00
12	ILE	HN	12	ILE	QG2	6.00
12	ILE	HN	12	ILE	QD1	6.00
7	ILE	HN	5	THR	HN	5.00
6	PHE	HN	5	THR	QG2	6.00
7	ILE	HN	6	PHE	HA	5.00
7	ILE	HN	5	THR	HA	5.00
7	ILE	HN	4	GLY	HA2	5.00
7	ILE	HN	7	ILE	HA	2.80
7	ILE	HN	6	PHE	QB	4.20
7	ILE	HN	7	ILE	HB	2.80
7	ILE	HN	7	ILE	HG12	3.60
7	ILE	HN	7	ILE	HG13	5.00
7	ILE	HN	7	ILE	QG2	6.00
7	ILE	HN	7	ILE	QD1	6.00
5	THR	HN	3	GLU	HA	5.00
5	THR	HN	5	THR	HA	2.80
5	THR	HN	4	GLY	HA1	3.60
5	THR	HN	4	GLY	HA2	3.60
5	THR	HN	2	ALA	QB	6.00
5	THR	HN	5	THR	QG2	6.00
30	LYS	HN	28	ALA	HN	5.00
30	LYS	HN	29	GLN	HN	3.60
30	LYS	HN	30	LYS	HA	2.80
30	LYS	HN	28	ALA	HA	5.00
30	LYS	HN	29	GLN	HA	2.80
30	LYS	HN	29	GLN	HG3	5.00
30	LYS	HN	30	LYS	HB2	5.00
30	LYS	HN	30	LYS	HB3	2.80
30	LYS	HN	30	LYS	QG	5.60
24	ASN	HD21	24	ASN	HD22	2.80
24	ASN	HD21	21	ASP	HA	5.00
24	ASN	HD21	24	ASN	HA	5.00
24	ASN	HD21	24	ASN	HB2	5.00
24	ASN	HD21	24	ASN	HB3	5.00
24	ASN	HD21	20	GLN	HG2	5.00
28	ALA	HN	29	GLN	HN	2.80
28	ALA	HN	24	ASN	HA	5.00
28	ALA	HN	28	ALA	HA	2.80
28	ALA	HN	27	LEU	HA	5.00
28	ALA	HN	26	LEU	HA	5.00
28	ALA	HN	27	LEU	HB2	5.00
28	ALA	HN	27	LEU	HB3	5.00
28	ALA	HN	27	LEU	HG	5.00
28	ALA	HN	28	ALA	QB	3.80
29	GLN	HN	25	TRP	HZ2	6.00
29	GLN	HN	29	GLN	HE21	5.00
29	GLN	HN	28	ALA	HA	3.60
29	GLN	HN	29	GLN	HA	2.80
29	GLN	HN	26	LEU	HA	5.00
29	GLN	HN	29	GLN	HG2	3.60
29	GLN	HN	29	GLN	HG3	3.60
29	GLN	HN	29	GLN	HB2	2.80
29	GLN	HN	29	GLN	HB3	5.00
29	GLN	HN	28	ALA	QB	6.00
25	TRP	HZ2	25	TRP	HH2	2.80
25	TRP	HZ2	25	TRP	HZ3	5.00
25	TRP	HZ2	29	GLN	HE22	5.00
20	GLN	HE21	20	GLN	HE22	2.80
20	GLN	HE21	20	GLN	HA	5.00
20	GLN	HE21	20	GLN	HG2	5.00
20	GLN	HE21	20	GLN	HG3	5.00
25	TRP	HE3	25	TRP	HZ3	2.80
25	TRP	HE3	25	TRP	HA	5.00
25	TRP	HE3	25	TRP	HB2	5.00
25	TRP	HE3	26	LEU	HA	3.60
25	TRP	HE3	25	TRP	HB3	3.60
25	TRP	HE3	26	LEU	QB	5.60
25	TRP	HE3	26	LEU	HG	5.00
18	HIS	HD2	20	GLN	HE22	2.80
18	HIS	HD2	18	HIS	HA	3.60
18	HIS	HD2	18	HIS	HB2	5.00
18	HIS	HD2	18	HIS	HB3	5.00
18	HIS	HD2	17	ILE	QG2	6.00
25	TRP	HH2	25	TRP	HZ3	2.80
25	TRP	HH2	26	LEU	QD2	6.00
25	TRP	HD1	29	GLN	HE21	5.00
25	TRP	HD1	29	GLN	HE22	5.00
25	TRP	HD1	22	PHE	HA	6.00
25	TRP	HD1	25	TRP	HA	3.60
25	TRP	HD1	25	TRP	HB2	5.00
25	TRP	HD1	26	LEU	HA	6.00
25	TRP	HD1	25	TRP	HB3	2.80
25	TRP	HD1	28	ALA	QB	6.00
25	TRP	HD1	26	LEU	QD1	6.00
25	TRP	HZ3	26	LEU	HA	5.00
25	TRP	HZ3	26	LEU	QD1	6.00
25	TRP	HZ3	26	LEU	QD2	6.00
19	GLN	HE21	19	GLN	HE22	2.80
19	GLN	HE21	19	GLN	QG	5.60
19	GLN	HE21	19	GLN	HB2	5.00
24	ASN	HD22	21	ASP	HA	5.00
24	ASN	HD22	24	ASN	HB2	5.00
24	ASN	HD22	24	ASN	HB3	5.00
24	ASN	HD22	20	GLN	HG2	5.00
24	ASN	HD22	20	GLN	HG3	5.00
19	GLN	HE22	19	GLN	QG	5.60
20	GLN	HE22	20	GLN	HG2	5.00
20	GLN	HE22	20	GLN	HG3	5.00
20	GLN	HE22	23	VAL	QG2	6.00
29	GLN	HE21	29	GLN	HE22	2.80
29	GLN	HE21	25	TRP	HA	5.00
29	GLN	HE21	29	GLN	HA	5.00
29	GLN	HE21	26	LEU	HA	5.00
29	GLN	HE21	29	GLN	HG2	3.60
29	GLN	HE21	29	GLN	HB3	5.00
29	GLN	HE21	28	ALA	QB	6.00
19	GLN	QG	19	GLN	HB2	3.40
19	GLN	QG	19	GLN	HB3	3.40
3	GLU	QG	3	GLU	HB2	3.40
3	GLU	QG	3	GLU	HB3	4.20
20	GLN	HG2	20	GLN	HB2	2.80
20	GLN	HG2	20	GLN	HB3	2.80
20	GLN	HG2	20	GLN	HG3	2.80
20	GLN	HG3	20	GLN	HB2	2.80
20	GLN	HG3	20	GLN	HB3	2.80
14	MET	QG	14	MET	HB2	3.40
14	MET	QG	14	MET	HB3	3.40
14	MET	QG	14	MET	QE	6.60
19	GLN	HB2	19	GLN	HB3	2.80
20	GLN	HB2	20	GLN	HB3	2.80
23	VAL	HB	23	VAL	QG1	6.00
23	VAL	HB	23	VAL	QG2	3.80
14	MET	HB2	14	MET	HB3	2.80
14	MET	HB2	14	MET	QE	4.60
14	MET	HB3	14	MET	QE	3.80
12	ILE	HB	12	ILE	HG12	2.80
16	LYS	HB2	16	LYS	HB3	2.80
16	LYS	HB2	16	LYS	QG	5.60
29	GLN	HG2	29	GLN	HG3	2.80
29	GLN	HG2	29	GLN	HB2	3.60
29	GLN	HG2	29	GLN	HB3	2.80
29	GLN	HG3	29	GLN	HB2	2.80
29	GLN	HG3	29	GLN	HB3	3.60
16	LYS	HB3	16	LYS	QG	4.20
12	ILE	HB	12	ILE	HG13	5.00
12	ILE	HB	12	ILE	QG2	3.80
12	ILE	HB	12	ILE	QD1	6.00
27	LEU	HB3	27	LEU	HG	2.80
17	ILE	HB	17	ILE	HG13	3.60
7	ILE	HB	7	ILE	HG12	3.60
7	ILE	HB	7	ILE	HG13	5.00
7	ILE	HB	7	ILE	QG2	4.60
29	GLN	HB2	29	GLN	HB3	2.80
12	ILE	HG12	12	ILE	HG13	2.80
12	ILE	HG12	12	ILE	QG2	6.00
12	ILE	HG12	12	ILE	QD1	3.80
17	ILE	HG12	17	ILE	HG13	2.80
17	ILE	HG12	17	ILE	QD1	4.60
26	LEU	QB	26	LEU	HG	3.40
26	LEU	QB	26	LEU	QD1	6.60
26	LEU	QB	26	LEU	QD2	6.60
7	ILE	HG12	7	ILE	HG13	2.80
7	ILE	HG12	7	ILE	QG2	6.00
7	ILE	HG12	7	ILE	QD1	6.00
23	VAL	QG1	23	VAL	QG2	7.00
11	SER	HB2	11	SER	HA	5.00
8	SER	HA	8	SER	HB2	5.00
11	SER	HB2	11	SER	HB3	2.80
8	SER	HA	8	SER	HB3	3.60
5	THR	HA	8	SER	HB3	5.00
22	PHE	HA	25	TRP	HB2	5.00
25	TRP	HA	25	TRP	HB2	5.00
18	HIS	HA	18	HIS	HB2	2.80
18	HIS	HA	18	HIS	HB3	2.80
22	PHE	HA	22	PHE	HB2	2.80
19	GLN	HA	22	PHE	HB2	3.60
22	PHE	HA	25	TRP	HB3	3.60
25	TRP	HA	25	TRP	HB3	2.80
25	TRP	HB2	25	TRP	HB3	2.80
12	ILE	HA	15	ASP	HB2	3.60
19	GLN	HA	22	PHE	HB3	5.00
22	PHE	HB2	22	PHE	HB3	2.80
6	PHE	HA	6	PHE	QB	3.40
3	GLU	HA	6	PHE	QB	5.60
5	THR	HA	6	PHE	QB	5.60
21	ASP	HA	21	ASP	HB2	2.80
1	TYR	HA	1	TYR	HB3	5.00
1	TYR	HB2	1	TYR	HB3	2.80
21	ASP	HA	24	ASN	HB2	3.60
24	ASN	HA	24	ASN	HB2	2.80
9	ASP	HA	9	ASP	HB2	2.80
6	PHE	HA	9	ASP	HB2	3.60
10	TYR	HA	10	TYR	HB2	2.80
7	ILE	HA	10	TYR	HB2	3.60
15	ASP	HA	15	ASP	HB3	2.80
12	ILE	HA	15	ASP	HB3	3.60
21	ASP	HA	21	ASP	HB3	2.80
10	TYR	HA	10	TYR	HB3	3.60
7	ILE	HA	10	TYR	HB3	5.00
9	ASP	HA	9	ASP	HB3	2.80
6	PHE	HA	9	ASP	HB3	5.00
9	ASP	HB2	9	ASP	HB3	2.80
21	ASP	HA	24	ASN	HB3	5.00
24	ASN	HA	24	ASN	HB3	3.60
24	ASN	HB2	24	ASN	HB3	2.80
19	GLN	HA	19	GLN	QG	5.60
3	GLU	HA	3	GLU	QG	5.60
20	GLN	HA	20	GLN	HG2	5.00
20	GLN	HA	20	GLN	HG3	5.00
19	GLN	HA	19	GLN	HB2	3.60
19	GLN	HA	19	GLN	HB3	2.80
16	LYS	HA	19	GLN	HB3	2.80
16	LYS	HA	19	GLN	HB2	5.00
20	GLN	HA	20	GLN	HB2	2.80
17	ILE	HA	20	GLN	HB2	5.00
20	GLN	HA	20	GLN	HB3	2.80
17	ILE	HA	20	GLN	HB3	5.00
20	GLN	HA	23	VAL	HB	2.80
23	VAL	HA	23	VAL	HB	3.60
3	GLU	HA	3	GLU	HB2	2.80
3	GLU	HA	3	GLU	HB3	3.60
14	MET	HA	14	MET	HB2	3.60
14	MET	HA	14	MET	HB3	3.60
11	SER	HA	14	MET	HB2	5.00
11	SER	HA	14	MET	HB3	3.60
16	LYS	HA	16	LYS	HB2	2.80
29	GLN	HA	29	GLN	HG2	2.80
13	ALA	HA	16	LYS	HB2	2.80
29	GLN	HA	29	GLN	HG3	3.60
26	LEU	HA	29	GLN	HG2	3.60
26	LEU	HA	29	GLN	HG2	5.00
9	ASP	HA	12	ILE	HB	2.80
16	LYS	HA	16	LYS	HB3	2.80
13	ALA	HA	16	LYS	HB3	2.80
12	ILE	HA	12	ILE	HB	3.60
24	ASN	HA	27	LEU	HB2	5.00
30	LYS	HA	30	LYS	HB2	2.80
27	LEU	HA	27	LEU	HB2	2.80
14	MET	HA	17	ILE	HB	2.80
17	ILE	HA	17	ILE	HB	5.00
24	ASN	HA	27	LEU	HB3	3.60
27	LEU	HA	27	LEU	HB3	2.80
4	GLY	HA2	7	ILE	HB	5.00
7	ILE	HA	7	ILE	HB	3.60
29	GLN	HA	29	GLN	HB2	3.60
30	LYS	HA	30	LYS	HB3	3.60
14	MET	HA	14	MET	QE	6.00
11	SER	HA	14	MET	QE	6.00
12	ILE	HA	12	ILE	HG12	3.60
17	ILE	HA	17	ILE	HG12	3.60
16	LYS	HA	16	LYS	QD	5.60
29	GLN	HA	29	GLN	HB3	2.80
26	LEU	HA	29	GLN	HB2	5.00
26	LEU	HA	29	GLN	HB3	2.80
23	VAL	HA	26	LEU	QB	3.40
26	LEU	HA	26	LEU	QB	3.40
7	ILE	HA	7	ILE	HG12	5.00
16	LYS	HA	16	LYS	QG	5.60
23	VAL	HA	26	LEU	HG	2.80
26	LEU	HA	26	LEU	HG	3.60
27	LEU	HA	27	LEU	HG	2.80
24	ASN	HA	27	LEU	HG	5.00
10	TYR	HA	13	ALA	QB	6.00
13	ALA	HA	13	ALA	QB	3.80
30	LYS	HA	30	LYS	QG	5.60
2	ALA	HA	2	ALA	QB	6.00
28	ALA	HA	28	ALA	QB	3.80
7	ILE	HA	7	ILE	HG13	5.00
20	GLN	HA	23	VAL	QG1	6.00
5	THR	HA	5	THR	QG2	3.80
12	ILE	HA	12	ILE	HG13	2.80
24	ASN	HA	23	VAL	QG2	6.00
20	GLN	HA	23	VAL	QG2	6.00
23	VAL	HA	23	VAL	QG2	6.00
9	ASP	HA	12	ILE	QG2	6.00
13	ALA	HA	12	ILE	QG2	6.00
12	ILE	HA	12	ILE	QG2	6.00
8	SER	HA	7	ILE	QG2	6.00
4	GLY	HA2	7	ILE	QG2	6.00
7	ILE	HA	7	ILE	QG2	6.00
4	GLY	HA2	7	ILE	QG2	6.00
7	ILE	HA	7	ILE	QG2	6.00
17	ILE	HA	17	ILE	QG2	6.00
9	ASP	HA	12	ILE	QD1	6.00
12	ILE	HA	12	ILE	QD1	6.00
27	LEU	HA	27	LEU	QD1	6.00
27	LEU	HA	27	LEU	QD2	3.80
17	ILE	HA	17	ILE	QD1	6.00
14	MET	HA	17	ILE	QD1	6.00
24	ASN	HA	27	LEU	QD1	6.00
23	VAL	HA	26	LEU	QD1	6.00
26	LEU	HA	26	LEU	QD1	6.00
23	VAL	HA	26	LEU	QD2	6.00
26	LEU	HA	26	LEU	QD2	6.00
7	ILE	O	11	SER	HN	2.00
7	ILE	O	11	SER	N	3.00
8	SER	O	12	ILE	HN	2.00
8	SER	O	12	ILE	N	3.00
9	ASP	O	13	ALA	HN	2.00
9	ASP	O	13	ALA	N	3.00
14	MET	O	18	HIS	HN	2.00
14	MET	O	18	HIS	N	3.00
18	HIS	O	22	PHE	HN	2.00
18	HIS	O	22	PHE	N	3.00
21	ASP	O	25	TRP	HN	2.00
21	ASP	O	25	TRP	N	3.00
24	ASN	O	28	ALA	HN	3.00
24	ASN	O	28	ALA	N	3.00
25	TRP	O	29	GLN	HN	2.00
25	TRP	O	29	GLN	N	3.00
3  GLU   PHI     -90.0   -40.0    0.01
5  THR   PHI     -90.0   -40.0    0.01
6  PHE   PHI     -90.0   -40.0    0.01
8  SER   PHI     -90.0   -40.0    0.01
9  ASP   PHI     -90.0   -40.0    0.01
10 TYR   PHI     -90.0   -40.0    0.01
13 ALA   PHI     -90.0   -40.0    0.01
14 MET   PHI     -90.0   -40.0    0.01
15 ASP   PHI     -90.0   -40.0    0.01
16 LYS   PHI     -90.0   -40.0    0.01
17 ILE   PHI     -90.0   -40.0    0.01
18 HIS   PHI     -90.0   -40.0    0.01
20 GLN   PHI     -90.0   -40.0    0.01
22 PHE   PHI     -90.0   -40.0    0.01
25 TRP   PHI     -90.0   -40.0    0.01
28 ALA   PHI     -90.0   -40.0    0.01

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          1H        TYR   1  -0.512 -25.343  -3.788
    2   2H    TYR   1          2H        TYR   1  -2.169 -24.878  -4.044
    3   3H    TYR   1          3H        TYR   1  -1.522 -24.943  -2.429
    4    HA   TYR   1           HA       TYR   1   0.023 -23.104  -2.942
    5   1HB   TYR   1          1HB       TYR   1   0.148 -23.578  -5.449
    6   2HB   TYR   1          2HB       TYR   1  -1.489 -22.919  -5.629
    7    HD1  TYR   1           HD1      TYR   1   2.061 -22.112  -4.908
    8    HD2  TYR   1           HD2      TYR   1  -1.897 -20.456  -5.249
    9    HE1  TYR   1           HE1      TYR   1   3.027 -19.856  -5.081
   10    HE2  TYR   1           HE2      TYR   1  -0.926 -18.185  -5.386
   11    HH   TYR   1           HH       TYR   1   2.582 -17.532  -5.412
   12    H    ALA   2           H        ALA   2  -0.769 -20.860  -2.351
   13    HA   ALA   2           HA       ALA   2  -3.650 -20.357  -2.561
   14   1HB   ALA   2          1HB       ALA   2  -4.034 -20.471  -0.049
   15   2HB   ALA   2          2HB       ALA   2  -3.533 -22.063  -0.669
   16   3HB   ALA   2          3HB       ALA   2  -2.347 -21.019   0.165
   17    H    GLU   3           H        GLU   3  -4.288 -18.352  -1.214
   18    HA   GLU   3           HA       GLU   3  -2.080 -16.334  -1.378
   19   1HB   GLU   3          1HB       GLU   3  -5.132 -16.140  -1.013
   20   2HB   GLU   3          2HB       GLU   3  -4.051 -14.758  -0.796
   21   1HG   GLU   3          1HG       GLU   3  -5.002 -14.809  -3.112
   22   2HG   GLU   3          2HG       GLU   3  -3.227 -14.931  -3.129
   23    H    GLY   4           H        GLY   4  -0.985 -17.707   0.441
   24   1HA   GLY   4          1HA       GLY   4  -2.296 -17.748   3.023
   25   2HA   GLY   4          2HA       GLY   4  -0.573 -18.046   2.725
   26    H    THR   5           H        THR   5   0.829 -16.034   2.182
   27    HA   THR   5           HA       THR   5  -0.104 -13.754   3.908
   28    HB   THR   5           HB       THR   5   2.735 -14.454   3.009
   29    HG1  THR   5           HG1      THR   5   1.391 -15.406   5.353
   30   1HG2  THR   5          1HG2      THR   5   1.664 -12.821   5.412
   31   2HG2  THR   5          2HG2      THR   5   3.371 -13.274   5.152
   32   3HG2  THR   5          3HG2      THR   5   2.573 -12.163   4.020
   33    H    PHE   6           H        PHE   6  -0.867 -14.289   0.898
   34    HA   PHE   6           HA       PHE   6   0.617 -12.250  -0.515
   35   1HB   PHE   6          1HB       PHE   6  -0.644 -14.056  -1.718
   36   2HB   PHE   6          2HB       PHE   6  -2.168 -13.397  -1.089
   37    HD1  PHE   6           HD1      PHE   6  -3.060 -11.220  -1.909
   38    HD2  PHE   6           HD2      PHE   6   0.646 -12.792  -3.437
   39    HE1  PHE   6           HE1      PHE   6  -3.209  -9.696  -3.857
   40    HE2  PHE   6           HE2      PHE   6   0.539 -11.199  -5.327
   41    HZ   PHE   6           HZ       PHE   6  -1.390  -9.647  -5.542
   42    H    ILE   7           H        ILE   7  -2.540 -12.425   1.313
   43    HA   ILE   7           HA       ILE   7  -3.507  -9.965   0.715
   44    HB   ILE   7           HB       ILE   7  -4.646 -11.621   2.230
   45   1HG1  ILE   7          1HG1      ILE   7  -5.743 -10.041   3.810
   46   2HG1  ILE   7          2HG1      ILE   7  -4.527  -8.795   3.456
   47   1HG2  ILE   7          1HG2      ILE   7  -2.645 -12.115   3.731
   48   2HG2  ILE   7          2HG2      ILE   7  -2.848 -10.506   4.480
   49   3HG2  ILE   7          3HG2      ILE   7  -4.125 -11.737   4.642
   50   1HD1  ILE   7          1HD1      ILE   7  -5.368  -8.634   1.096
   51   2HD1  ILE   7          2HD1      ILE   7  -6.443 -10.038   1.366
   52   3HD1  ILE   7          3HD1      ILE   7  -6.732  -8.497   2.220
   53    H    SER   8           H        SER   8  -0.663 -10.616   2.871
   54    HA   SER   8           HA       SER   8  -0.626  -7.982   4.001
   55   1HB   SER   8          1HB       SER   8   1.734  -9.893   3.512
   56   2HB   SER   8          2HB       SER   8   1.798  -8.379   4.449
   57    HG   SER   8           HG       SER   8   0.131 -10.605   5.165
   58    H    ASP   9           H        ASP   9   1.140  -9.432   1.073
   59    HA   ASP   9           HA       ASP   9   2.344  -6.952   0.431
   60   1HB   ASP   9          1HB       ASP   9   2.745  -7.781  -1.832
   61   2HB   ASP   9          2HB       ASP   9   3.124  -9.031  -0.623
   62    H    TYR  10           H        TYR  10  -0.958  -8.257  -0.344
   63    HA   TYR  10           HA       TYR  10  -1.613  -6.210  -2.217
   64   1HB   TYR  10          1HB       TYR  10  -3.066  -8.201  -1.885
   65   2HB   TYR  10          2HB       TYR  10  -3.404  -7.707  -0.217
   66    HD1  TYR  10           HD1      TYR  10  -5.206  -6.170   0.256
   67    HD2  TYR  10           HD2      TYR  10  -3.722  -6.495  -3.772
   68    HE1  TYR  10           HE1      TYR  10  -7.215  -5.008  -0.584
   69    HE2  TYR  10           HE2      TYR  10  -5.637  -5.172  -4.584
   70    HH   TYR  10           HH       TYR  10  -7.666  -4.054  -3.995
   71    H    SER  11           H        SER  11  -1.927  -6.363   1.434
   72    HA   SER  11           HA       SER  11  -3.279  -3.846   1.609
   73   1HB   SER  11          1HB       SER  11  -1.521  -5.268   3.714
   74   2HB   SER  11          2HB       SER  11  -2.515  -3.818   4.006
   75    HG   SER  11           HG       SER  11  -3.601  -6.345   3.168
   76    H    ILE  12           H        ILE  12   0.261  -4.755   1.767
   77    HA   ILE  12           HA       ILE  12   1.085  -2.041   2.310
   78    HB   ILE  12           HB       ILE  12   2.614  -4.362   1.021
   79   1HG1  ILE  12          1HG1      ILE  12   1.975  -4.792   3.421
   80   2HG1  ILE  12          2HG1      ILE  12   3.725  -4.711   3.150
   81   1HG2  ILE  12          1HG2      ILE  12   4.710  -2.997   1.573
   82   2HG2  ILE  12          2HG2      ILE  12   3.713  -2.341   0.255
   83   3HG2  ILE  12          3HG2      ILE  12   3.640  -1.592   1.870
   84   1HD1  ILE  12          1HD1      ILE  12   2.022  -2.460   4.412
   85   2HD1  ILE  12          2HD1      ILE  12   3.099  -3.591   5.260
   86   3HD1  ILE  12          3HD1      ILE  12   3.790  -2.397   4.139
   87    H    ALA  13           H        ALA  13   0.576  -3.936  -0.768
   88    HA   ALA  13           HA       ALA  13   1.637  -1.919  -2.456
   89   1HB   ALA  13          1HB       ALA  13  -0.669  -3.876  -3.074
   90   2HB   ALA  13          2HB       ALA  13   0.238  -2.912  -4.276
   91   3HB   ALA  13          3HB       ALA  13   1.073  -4.184  -3.333
   92    H    MET  14           H        MET  14  -1.797  -2.457  -1.229
   93    HA   MET  14           HA       MET  14  -2.836  -0.174  -2.574
   94   1HB   MET  14          1HB       MET  14  -3.736  -1.407   0.107
   95   2HB   MET  14          2HB       MET  14  -4.545  -0.044  -0.710
   96   1HG   MET  14          1HG       MET  14  -4.918  -1.524  -2.767
   97   2HG   MET  14          2HG       MET  14  -4.255  -2.896  -1.838
   98   1HE   MET  14          1HE       MET  14  -8.366  -0.830  -1.164
   99   2HE   MET  14          2HE       MET  14  -6.942   0.160  -0.735
  100   3HE   MET  14          3HE       MET  14  -7.171  -0.404  -2.427
  101    H    ASP  15           H        ASP  15  -1.194  -0.510   0.698
  102    HA   ASP  15           HA       ASP  15  -1.726   2.165   1.442
  103   1HB   ASP  15          1HB       ASP  15  -0.771   0.497   3.043
  104   2HB   ASP  15          2HB       ASP  15   0.770   0.506   2.146
  105    H    LYS  16           H        LYS  16   1.134   0.746  -0.370
  106    HA   LYS  16           HA       LYS  16   2.505   3.197  -0.669
  107   1HB   LYS  16          1HB       LYS  16   3.450   0.961  -1.188
  108   2HB   LYS  16          2HB       LYS  16   2.410   0.835  -2.643
  109   1HG   LYS  16          1HG       LYS  16   3.544   2.993  -3.494
  110   2HG   LYS  16          2HG       LYS  16   4.663   2.878  -2.113
  111   1HD   LYS  16          1HD       LYS  16   4.343   0.866  -4.445
  112   2HD   LYS  16          2HD       LYS  16   5.678   2.006  -4.161
  113   1HE   LYS  16          1HE       LYS  16   6.655   0.032  -3.383
  114   2HE   LYS  16          2HE       LYS  16   5.991   0.647  -1.855
  115   1HZ   LYS  16          1HZ       LYS  16   4.167  -1.078  -2.062
  116   2HZ   LYS  16          2HZ       LYS  16   4.738  -1.477  -3.685
  117    H    ILE  17           H        ILE  17  -0.114   1.718  -2.735
  118    HA   ILE  17           HA       ILE  17   0.130   3.753  -4.771
  119    HB   ILE  17           HB       ILE  17  -2.182   1.876  -4.047
  120   1HG1  ILE  17          1HG1      ILE  17  -0.317   1.818  -6.500
  121   2HG1  ILE  17          2HG1      ILE  17   0.081   0.951  -5.006
  122   1HG2  ILE  17          1HG2      ILE  17  -3.137   3.911  -5.126
  123   2HG2  ILE  17          2HG2      ILE  17  -1.942   3.789  -6.450
  124   3HG2  ILE  17          3HG2      ILE  17  -3.215   2.551  -6.254
  125   1HD1  ILE  17          1HD1      ILE  17  -2.053  -0.373  -5.165
  126   2HD1  ILE  17          2HD1      ILE  17  -2.402   0.396  -6.742
  127   3HD1  ILE  17          3HD1      ILE  17  -0.957  -0.624  -6.550
  128    H    HIS  18           H        HIS  18  -2.195   3.301  -1.987
  129    HA   HIS  18           HA       HIS  18  -3.570   5.696  -2.527
  130   1HB   HIS  18          1HB       HIS  18  -4.399   3.816  -1.003
  131   2HB   HIS  18          2HB       HIS  18  -3.196   4.339   0.207
  132    HD1  HIS  18           HD1      HIS  18  -5.105   4.822   1.840
  133    HD2  HIS  18           HD2      HIS  18  -5.303   7.082  -1.706
  134    HE1  HIS  18           HE1      HIS  18  -6.796   6.647   2.270
  135    H    GLN  19           H        GLN  19  -0.525   5.103  -0.654
  136    HA   GLN  19           HA       GLN  19  -0.427   7.504   0.774
  137   1HB   GLN  19          1HB       GLN  19   1.797   5.874  -0.550
  138   2HB   GLN  19          2HB       GLN  19   2.174   7.410   0.259
  139   1HG   GLN  19          1HG       GLN  19   1.485   6.639   2.425
  140   2HG   GLN  19          2HG       GLN  19   0.592   5.262   1.764
  141   1HE2  GLN  19          1HE2      GLN  19   4.038   6.587   1.693
  142   2HE2  GLN  19          2HE2      GLN  19   4.758   5.028   1.860
  143    H    GLN  20           H        GLN  20   0.125   6.968  -2.794
  144    HA   GLN  20           HA       GLN  20   1.200   9.421  -3.473
  145   1HB   GLN  20          1HB       GLN  20   0.557   7.712  -5.146
  146   2HB   GLN  20          2HB       GLN  20  -1.173   8.000  -4.841
  147   1HG   GLN  20          1HG       GLN  20   0.809  10.088  -5.954
  148   2HG   GLN  20          2HG       GLN  20  -0.300   9.117  -6.950
  149   1HE2  GLN  20          1HE2      GLN  20  -2.806   9.254  -6.112
  150   2HE2  GLN  20          2HE2      GLN  20  -3.302  10.874  -5.799
  151    H    ASP  21           H        ASP  21  -2.340   8.746  -2.746
  152    HA   ASP  21           HA       ASP  21  -3.105  11.473  -3.071
  153   1HB   ASP  21          1HB       ASP  21  -4.423   9.379  -1.243
  154   2HB   ASP  21          2HB       ASP  21  -5.138  10.920  -1.778
  155    H    PHE  22           H        PHE  22  -2.109   9.567  -0.072
  156    HA   PHE  22           HA       PHE  22  -2.757  11.677   1.698
  157   1HB   PHE  22          1HB       PHE  22  -2.271   9.343   2.486
  158   2HB   PHE  22          2HB       PHE  22  -0.556   9.563   2.066
  159    HD1  PHE  22           HD1      PHE  22  -3.346  11.009   4.152
  160    HD2  PHE  22           HD2      PHE  22   0.919  10.681   3.651
  161    HE1  PHE  22           HE1      PHE  22  -3.002  12.122   6.334
  162    HE2  PHE  22           HE2      PHE  22   1.251  11.696   5.884
  163    HZ   PHE  22           HZ       PHE  22  -0.702  12.457   7.211
  164    H    VAL  23           H        VAL  23   0.335  10.945  -0.061
  165    HA   VAL  23           HA       VAL  23   1.810  12.996   1.345
  166    HB   VAL  23           HB       VAL  23   2.392  11.561  -1.304
  167   1HG1  VAL  23          1HG1      VAL  23   3.536  13.768  -1.312
  168   2HG1  VAL  23          2HG1      VAL  23   4.166  13.488   0.337
  169   3HG1  VAL  23          3HG1      VAL  23   4.733  12.483  -1.030
  170   1HG2  VAL  23          1HG2      VAL  23   2.440  10.086   0.774
  171   2HG2  VAL  23          2HG2      VAL  23   4.057  10.292   0.060
  172   3HG2  VAL  23          3HG2      VAL  23   3.602  11.213   1.520
  173    H    ASN  24           H        ASN  24   0.123  12.786  -1.912
  174    HA   ASN  24           HA       ASN  24   0.658  15.464  -2.657
  175   1HB   ASN  24          1HB       ASN  24  -0.391  13.802  -4.174
  176   2HB   ASN  24          2HB       ASN  24  -1.880  13.805  -3.184
  177   1HD2  ASN  24          1HD2      ASN  24  -2.661  14.313  -5.573
  178   2HD2  ASN  24          2HD2      ASN  24  -2.762  15.991  -5.960
  179    H    TRP  25           H        TRP  25  -1.867  14.074  -0.422
  180    HA   TRP  25           HA       TRP  25  -3.357  16.494  -0.213
  181   1HB   TRP  25          1HB       TRP  25  -4.414  14.452   0.546
  182   2HB   TRP  25          2HB       TRP  25  -3.117  14.115   1.714
  183    HD1  TRP  25           HD1      TRP  25  -6.128  16.480   1.297
  184    HE1  TRP  25           HE1      TRP  25  -6.619  17.534   3.537
  185    HE3  TRP  25           HE3      TRP  25  -2.113  14.648   4.018
  186    HZ2  TRP  25           HZ2      TRP  25  -5.490  17.781   6.023
  187    HZ3  TRP  25           HZ3      TRP  25  -1.845  15.476   6.367
  188    HH2  TRP  25           HH2      TRP  25  -3.507  17.024   7.350
  189    H    LEU  26           H        LEU  26  -0.653  15.177   1.959
  190    HA   LEU  26           HA       LEU  26  -0.888  17.481   3.633
  191   1HB   LEU  26          1HB       LEU  26   1.142  16.904   4.754
  192   2HB   LEU  26          2HB       LEU  26   0.187  15.449   4.431
  193    HG   LEU  26           HG       LEU  26   1.811  15.223   2.312
  194   1HD1  LEU  26          1HD1      LEU  26   3.642  16.783   4.231
  195   2HD1  LEU  26          2HD1      LEU  26   4.102  16.061   2.666
  196   3HD1  LEU  26          3HD1      LEU  26   3.021  17.471   2.717
  197   1HD2  LEU  26          1HD2      LEU  26   2.707  14.562   5.170
  198   2HD2  LEU  26          2HD2      LEU  26   1.687  13.549   4.105
  199   3HD2  LEU  26          3HD2      LEU  26   3.391  13.839   3.682
  200    H    LEU  27           H        LEU  27   1.159  16.824   0.670
  201    HA   LEU  27           HA       LEU  27   2.608  19.276   0.881
  202   1HB   LEU  27          1HB       LEU  27   1.703  17.730  -1.621
  203   2HB   LEU  27          2HB       LEU  27   2.834  19.099  -1.672
  204    HG   LEU  27           HG       LEU  27   3.417  16.488  -0.127
  205   1HD1  LEU  27          1HD1      LEU  27   4.364  17.368  -2.924
  206   2HD1  LEU  27          2HD1      LEU  27   4.915  15.911  -2.049
  207   3HD1  LEU  27          3HD1      LEU  27   3.221  16.039  -2.584
  208   1HD2  LEU  27          1HD2      LEU  27   5.795  17.315  -0.189
  209   2HD2  LEU  27          2HD2      LEU  27   5.238  18.851  -0.909
  210   3HD2  LEU  27          3HD2      LEU  27   4.762  18.402   0.754
  211    H    ALA  28           H        ALA  28  -0.583  18.493  -0.699
  212    HA   ALA  28           HA       ALA  28  -0.979  21.071  -1.777
  213   1HB   ALA  28          1HB       ALA  28  -3.427  20.544  -1.728
  214   2HB   ALA  28          2HB       ALA  28  -2.483  19.154  -2.337
  215   3HB   ALA  28          3HB       ALA  28  -3.118  19.141  -0.666
  216    H    GLN  29           H        GLN  29  -1.642  19.745   1.572
  217    HA   GLN  29           HA       GLN  29  -2.450  22.530   2.391
  218   1HB   GLN  29          1HB       GLN  29  -3.050  19.830   3.724
  219   2HB   GLN  29          2HB       GLN  29  -3.644  21.443   4.223
  220   1HG   GLN  29          1HG       GLN  29  -4.793  21.666   1.958
  221   2HG   GLN  29          2HG       GLN  29  -4.300  19.991   1.575
  222   1HE2  GLN  29          1HE2      GLN  29  -6.939  20.308   1.376
  223   2HE2  GLN  29          2HE2      GLN  29  -7.770  19.726   2.771
  224    H    LYS  30           H        LYS  30   0.354  22.099   2.012
  225    HA   LYS  30           HA       LYS  30   1.109  22.872   4.704
  226   1HB   LYS  30          1HB       LYS  30   1.179  20.329   4.853
  227   2HB   LYS  30          2HB       LYS  30   2.434  20.321   3.583
  228   1HG   LYS  30          1HG       LYS  30   3.928  21.704   5.015
  229   2HG   LYS  30          2HG       LYS  30   2.700  21.753   6.307
  230   1HD   LYS  30          1HD       LYS  30   4.005  19.163   5.237
  231   2HD   LYS  30          2HD       LYS  30   4.563  20.059   6.672
  232   1HE   LYS  30          1HE       LYS  30   2.336  19.703   7.788
  233   2HE   LYS  30          2HE       LYS  30   1.790  18.720   6.408
  234   1HZ   LYS  30          1HZ       LYS  30   3.576  17.098   6.829
  235   2HZ   LYS  30          2HZ       LYS  30   4.132  18.054   8.208
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1  -6.343 -20.845  -2.692
    2   2H    TYR   1          2H        TYR   1  -6.216 -21.788  -4.150
    3   3H    TYR   1          3H        TYR   1  -5.536 -22.395  -2.676
    4    HA   TYR   1           HA       TYR   1  -3.791 -21.517  -4.169
    5   1HB   TYR   1          1HB       TYR   1  -5.326 -19.729  -5.194
    6   2HB   TYR   1          2HB       TYR   1  -5.087 -18.756  -3.736
    7    HD1  TYR   1           HD1      TYR   1  -2.592 -18.149  -3.108
    8    HD2  TYR   1           HD2      TYR   1  -3.694 -19.715  -6.961
    9    HE1  TYR   1           HE1      TYR   1  -0.526 -17.222  -4.078
   10    HE2  TYR   1           HE2      TYR   1  -1.662 -18.747  -7.939
   11    HH   TYR   1           HH       TYR   1   0.290 -17.423  -7.549
   12    H    ALA   2           H        ALA   2  -1.799 -20.881  -2.963
   13    HA   ALA   2           HA       ALA   2  -2.260 -20.841  -0.059
   14   1HB   ALA   2          1HB       ALA   2   0.211 -20.934   0.105
   15   2HB   ALA   2          2HB       ALA   2  -0.418 -22.191  -1.002
   16   3HB   ALA   2          3HB       ALA   2   0.360 -20.724  -1.664
   17    H    GLU   3           H        GLU   3  -3.489 -18.686  -0.033
   18    HA   GLU   3           HA       GLU   3  -1.751 -16.318  -0.527
   19   1HB   GLU   3          1HB       GLU   3  -4.660 -16.481   0.442
   20   2HB   GLU   3          2HB       GLU   3  -3.733 -14.994   0.113
   21   1HG   GLU   3          1HG       GLU   3  -3.420 -15.772  -2.303
   22   2HG   GLU   3          2HG       GLU   3  -4.482 -17.161  -1.935
   23    H    GLY   4           H        GLY   4  -0.245 -17.544   1.240
   24   1HA   GLY   4          1HA       GLY   4  -1.222 -17.500   3.956
   25   2HA   GLY   4          2HA       GLY   4   0.478 -17.648   3.469
   26    H    THR   5           H        THR   5   1.503 -15.522   2.525
   27    HA   THR   5           HA       THR   5   0.477 -13.179   4.126
   28    HB   THR   5           HB       THR   5   2.610 -14.063   5.011
   29    HG1  THR   5           HG1      THR   5   3.546 -11.884   4.951
   30   1HG2  THR   5          1HG2      THR   5   4.738 -13.684   3.709
   31   2HG2  THR   5          2HG2      THR   5   3.740 -14.948   2.961
   32   3HG2  THR   5          3HG2      THR   5   3.786 -13.308   2.249
   33    H    PHE   6           H        PHE   6  -0.502 -13.980   1.464
   34    HA   PHE   6           HA       PHE   6   0.769 -12.009  -0.324
   35   1HB   PHE   6          1HB       PHE   6  -1.688 -13.810  -0.648
   36   2HB   PHE   6          2HB       PHE   6  -1.285 -12.513  -1.780
   37    HD1  PHE   6           HD1      PHE   6   0.050 -13.074  -3.656
   38    HD2  PHE   6           HD2      PHE   6   0.536 -15.412  -0.069
   39    HE1  PHE   6           HE1      PHE   6   1.556 -14.615  -4.851
   40    HE2  PHE   6           HE2      PHE   6   2.036 -16.942  -1.271
   41    HZ   PHE   6           HZ       PHE   6   2.547 -16.562  -3.672
   42    H    ILE   7           H        ILE   7  -2.058 -12.262   1.949
   43    HA   ILE   7           HA       ILE   7  -3.363  -9.906   0.995
   44    HB   ILE   7           HB       ILE   7  -3.342 -11.270   3.739
   45   1HG1  ILE   7          1HG1      ILE   7  -5.753 -11.653   3.255
   46   2HG1  ILE   7          2HG1      ILE   7  -5.637 -10.739   1.730
   47   1HG2  ILE   7          1HG2      ILE   7  -5.114  -9.610   4.458
   48   2HG2  ILE   7          2HG2      ILE   7  -3.521  -8.859   4.264
   49   3HG2  ILE   7          3HG2      ILE   7  -4.767  -8.642   2.998
   50   1HD1  ILE   7          1HD1      ILE   7  -4.183 -13.398   2.319
   51   2HD1  ILE   7          2HD1      ILE   7  -5.690 -13.226   1.381
   52   3HD1  ILE   7          3HD1      ILE   7  -4.187 -12.518   0.749
   53    H    SER   8           H        SER   8  -0.588 -10.458   3.332
   54    HA   SER   8           HA       SER   8  -0.375  -7.800   4.161
   55   1HB   SER   8          1HB       SER   8   1.986  -9.664   3.508
   56   2HB   SER   8          2HB       SER   8   2.038  -8.232   4.570
   57    HG   SER   8           HG       SER   8   0.480  -9.433   5.944
   58    H    ASP   9           H        ASP   9   1.142  -9.341   1.138
   59    HA   ASP   9           HA       ASP   9   2.329  -6.870   0.397
   60   1HB   ASP   9          1HB       ASP   9   2.714  -7.741  -1.817
   61   2HB   ASP   9          2HB       ASP   9   3.058  -9.009  -0.616
   62    H    TYR  10           H        TYR  10  -1.000  -8.218  -0.231
   63    HA   TYR  10           HA       TYR  10  -1.689  -6.241  -2.154
   64   1HB   TYR  10          1HB       TYR  10  -3.136  -8.240  -1.691
   65   2HB   TYR  10          2HB       TYR  10  -3.555  -7.583  -0.094
   66    HD1  TYR  10           HD1      TYR  10  -4.090  -7.229  -3.741
   67    HD2  TYR  10           HD2      TYR  10  -4.901  -5.473   0.105
   68    HE1  TYR  10           HE1      TYR  10  -5.871  -5.836  -4.743
   69    HE2  TYR  10           HE2      TYR  10  -6.629  -4.043  -0.906
   70    HH   TYR  10           HH       TYR  10  -7.829  -3.492  -2.896
   71    H    SER  11           H        SER  11  -1.953  -6.281   1.500
   72    HA   SER  11           HA       SER  11  -3.276  -3.770   1.652
   73   1HB   SER  11          1HB       SER  11  -3.137  -5.366   3.568
   74   2HB   SER  11          2HB       SER  11  -1.387  -5.049   3.733
   75    HG   SER  11           HG       SER  11  -2.032  -2.787   4.199
   76    H    ILE  12           H        ILE  12   0.283  -4.643   1.638
   77    HA   ILE  12           HA       ILE  12   1.068  -1.911   2.181
   78    HB   ILE  12           HB       ILE  12   2.627  -4.215   0.903
   79   1HG1  ILE  12          1HG1      ILE  12   2.016  -4.610   3.311
   80   2HG1  ILE  12          2HG1      ILE  12   3.764  -4.507   3.020
   81   1HG2  ILE  12          1HG2      ILE  12   3.665  -2.173   0.087
   82   2HG2  ILE  12          2HG2      ILE  12   3.602  -1.410   1.693
   83   3HG2  ILE  12          3HG2      ILE  12   4.696  -2.794   1.396
   84   1HD1  ILE  12          1HD1      ILE  12   3.147  -3.365   5.119
   85   2HD1  ILE  12          2HD1      ILE  12   3.796  -2.174   3.971
   86   3HD1  ILE  12          3HD1      ILE  12   2.035  -2.270   4.273
   87    H    ALA  13           H        ALA  13   0.790  -3.863  -0.907
   88    HA   ALA  13           HA       ALA  13   1.702  -1.768  -2.568
   89   1HB   ALA  13          1HB       ALA  13  -0.386  -3.943  -3.239
   90   2HB   ALA  13          2HB       ALA  13   0.466  -2.912  -4.427
   91   3HB   ALA  13          3HB       ALA  13   1.386  -4.082  -3.433
   92    H    MET  14           H        MET  14  -1.708  -2.625  -1.531
   93    HA   MET  14           HA       MET  14  -2.952  -0.518  -2.946
   94   1HB   MET  14          1HB       MET  14  -4.242  -2.331  -1.889
   95   2HB   MET  14          2HB       MET  14  -3.768  -1.802  -0.253
   96   1HG   MET  14          1HG       MET  14  -5.372  -0.030  -2.213
   97   2HG   MET  14          2HG       MET  14  -6.119  -1.085  -0.976
   98   1HE   MET  14          1HE       MET  14  -6.557   2.580   0.512
   99   2HE   MET  14          2HE       MET  14  -6.593   2.116  -1.220
  100   3HE   MET  14          3HE       MET  14  -7.421   1.090   0.001
  101    H    ASP  15           H        ASP  15  -1.625  -0.613   0.471
  102    HA   ASP  15           HA       ASP  15  -2.332   2.042   1.086
  103   1HB   ASP  15          1HB       ASP  15  -1.471   0.469   2.823
  104   2HB   ASP  15          2HB       ASP  15   0.142   0.485   2.060
  105    H    LYS  16           H        LYS  16   0.583   0.741  -0.698
  106    HA   LYS  16           HA       LYS  16   1.952   3.256  -0.609
  107   1HB   LYS  16          1HB       LYS  16   3.046   1.079  -1.023
  108   2HB   LYS  16          2HB       LYS  16   2.303   0.958  -2.636
  109   1HG   LYS  16          1HG       LYS  16   4.067   3.361  -1.828
  110   2HG   LYS  16          2HG       LYS  16   4.774   1.832  -2.406
  111   1HD   LYS  16          1HD       LYS  16   3.672   1.992  -4.576
  112   2HD   LYS  16          2HD       LYS  16   2.760   3.438  -4.091
  113   1HE   LYS  16          1HE       LYS  16   4.695   4.074  -5.489
  114   2HE   LYS  16          2HE       LYS  16   4.851   4.759  -3.853
  115   1HZ   LYS  16          1HZ       LYS  16   6.605   3.166  -3.321
  116   2HZ   LYS  16          2HZ       LYS  16   6.266   2.227  -4.792
  117    H    ILE  17           H        ILE  17  -0.255   1.687  -3.079
  118    HA   ILE  17           HA       ILE  17  -0.055   3.840  -4.951
  119    HB   ILE  17           HB       ILE  17  -2.401   1.958  -4.341
  120   1HG1  ILE  17          1HG1      ILE  17  -0.369   0.803  -5.279
  121   2HG1  ILE  17          2HG1      ILE  17  -1.804   0.694  -6.315
  122   1HG2  ILE  17          1HG2      ILE  17  -3.414   3.932  -5.329
  123   2HG2  ILE  17          2HG2      ILE  17  -2.154   4.043  -6.584
  124   3HG2  ILE  17          3HG2      ILE  17  -3.334   2.696  -6.605
  125   1HD1  ILE  17          1HD1      ILE  17   0.597   2.579  -6.808
  126   2HD1  ILE  17          2HD1      ILE  17   0.235   1.059  -7.656
  127   3HD1  ILE  17          3HD1      ILE  17  -0.856   2.450  -7.846
  128    H    HIS  18           H        HIS  18  -2.320   3.303  -2.135
  129    HA   HIS  18           HA       HIS  18  -3.697   5.748  -2.612
  130   1HB   HIS  18          1HB       HIS  18  -4.537   3.837  -1.144
  131   2HB   HIS  18          2HB       HIS  18  -3.300   4.285   0.059
  132    HD1  HIS  18           HD1      HIS  18  -5.177   4.726   1.739
  133    HD2  HIS  18           HD2      HIS  18  -5.343   7.179  -1.676
  134    HE1  HIS  18           HE1      HIS  18  -6.799   6.580   2.293
  135    H    GLN  19           H        GLN  19  -0.649   4.978  -0.823
  136    HA   GLN  19           HA       GLN  19  -0.507   7.252   0.784
  137   1HB   GLN  19          1HB       GLN  19   1.127   5.406   0.983
  138   2HB   GLN  19          2HB       GLN  19   1.799   5.790  -0.629
  139   1HG   GLN  19          1HG       GLN  19   2.649   7.959   0.167
  140   2HG   GLN  19          2HG       GLN  19   1.841   7.740   1.746
  141   1HE2  GLN  19          1HE2      GLN  19   4.269   6.074  -0.482
  142   2HE2  GLN  19          2HE2      GLN  19   5.226   5.465   0.816
  143    H    GLN  20           H        GLN  20   0.328   6.872  -2.755
  144    HA   GLN  20           HA       GLN  20   1.532   9.312  -3.237
  145   1HB   GLN  20          1HB       GLN  20   1.079   7.750  -5.055
  146   2HB   GLN  20          2HB       GLN  20  -0.680   7.912  -4.860
  147   1HG   GLN  20          1HG       GLN  20   1.195  10.200  -5.718
  148   2HG   GLN  20          2HG       GLN  20   0.258   9.191  -6.847
  149   1HE2  GLN  20          1HE2      GLN  20  -2.310   9.058  -6.198
  150   2HE2  GLN  20          2HE2      GLN  20  -2.974  10.609  -5.849
  151    H    ASP  21           H        ASP  21  -2.099   8.745  -2.965
  152    HA   ASP  21           HA       ASP  21  -2.705  11.508  -3.257
  153   1HB   ASP  21          1HB       ASP  21  -4.448   9.707  -3.430
  154   2HB   ASP  21          2HB       ASP  21  -4.299   9.408  -1.677
  155    H    PHE  22           H        PHE  22  -2.053   9.472  -0.263
  156    HA   PHE  22           HA       PHE  22  -2.811  11.476   1.558
  157   1HB   PHE  22          1HB       PHE  22  -2.251   9.073   2.188
  158   2HB   PHE  22          2HB       PHE  22  -0.526   9.458   2.001
  159    HD1  PHE  22           HD1      PHE  22  -3.603  10.125   3.990
  160    HD2  PHE  22           HD2      PHE  22   0.603  10.975   3.636
  161    HE1  PHE  22           HE1      PHE  22  -3.602  11.072   6.274
  162    HE2  PHE  22           HE2      PHE  22   0.599  11.909   5.931
  163    HZ   PHE  22           HZ       PHE  22  -1.503  11.978   7.245
  164    H    VAL  23           H        VAL  23   0.413  10.895  -0.051
  165    HA   VAL  23           HA       VAL  23   1.698  12.988   1.486
  166    HB   VAL  23           HB       VAL  23   2.507  11.582  -1.109
  167   1HG1  VAL  23          1HG1      VAL  23   3.508  13.847  -1.165
  168   2HG1  VAL  23          2HG1      VAL  23   4.061  13.691   0.529
  169   3HG1  VAL  23          3HG1      VAL  23   4.774  12.666  -0.753
  170   1HG2  VAL  23          1HG2      VAL  23   4.144  10.424   0.356
  171   2HG2  VAL  23          2HG2      VAL  23   3.666  11.428   1.756
  172   3HG2  VAL  23          3HG2      VAL  23   2.522  10.243   1.080
  173    H    ASN  24           H        ASN  24   0.230  12.811  -1.880
  174    HA   ASN  24           HA       ASN  24   0.743  15.497  -2.543
  175   1HB   ASN  24          1HB       ASN  24  -0.287  13.856  -4.117
  176   2HB   ASN  24          2HB       ASN  24  -1.799  13.875  -3.162
  177   1HD2  ASN  24          1HD2      ASN  24  -2.498  14.424  -5.572
  178   2HD2  ASN  24          2HD2      ASN  24  -2.571  16.110  -5.933
  179    H    TRP  25           H        TRP  25  -1.855  14.070  -0.417
  180    HA   TRP  25           HA       TRP  25  -3.318  16.498  -0.165
  181   1HB   TRP  25          1HB       TRP  25  -4.409  14.454   0.505
  182   2HB   TRP  25          2HB       TRP  25  -3.151  14.059   1.697
  183    HD1  TRP  25           HD1      TRP  25  -6.151  16.430   1.285
  184    HE1  TRP  25           HE1      TRP  25  -6.672  17.453   3.532
  185    HE3  TRP  25           HE3      TRP  25  -2.149  14.596   4.019
  186    HZ2  TRP  25           HZ2      TRP  25  -5.568  17.677   6.032
  187    HZ3  TRP  25           HZ3      TRP  25  -1.907  15.400   6.380
  188    HH2  TRP  25           HH2      TRP  25  -3.591  16.920   7.367
  189    H    LEU  26           H        LEU  26  -0.622  15.131   2.001
  190    HA   LEU  26           HA       LEU  26  -0.897  17.415   3.713
  191   1HB   LEU  26          1HB       LEU  26   1.062  16.808   4.906
  192   2HB   LEU  26          2HB       LEU  26   0.148  15.345   4.501
  193    HG   LEU  26           HG       LEU  26   1.874  15.206   2.450
  194   1HD1  LEU  26          1HD1      LEU  26   4.129  16.062   2.950
  195   2HD1  LEU  26          2HD1      LEU  26   3.022  17.454   2.983
  196   3HD1  LEU  26          3HD1      LEU  26   3.576  16.733   4.510
  197   1HD2  LEU  26          1HD2      LEU  26   1.682  13.476   4.190
  198   2HD2  LEU  26          2HD2      LEU  26   3.400  13.799   3.848
  199   3HD2  LEU  26          3HD2      LEU  26   2.642  14.469   5.327
  200    H    LEU  27           H        LEU  27   1.195  16.782   0.782
  201    HA   LEU  27           HA       LEU  27   2.697  19.197   1.077
  202   1HB   LEU  27          1HB       LEU  27   1.796  17.759  -1.490
  203   2HB   LEU  27          2HB       LEU  27   2.970  19.097  -1.459
  204    HG   LEU  27           HG       LEU  27   3.419  16.385  -0.048
  205   1HD1  LEU  27          1HD1      LEU  27   4.981  15.893  -1.943
  206   2HD1  LEU  27          2HD1      LEU  27   3.316  16.116  -2.537
  207   3HD1  LEU  27          3HD1      LEU  27   4.516  17.424  -2.734
  208   1HD2  LEU  27          1HD2      LEU  27   5.824  17.138   0.035
  209   2HD2  LEU  27          2HD2      LEU  27   5.334  18.741  -0.581
  210   3HD2  LEU  27          3HD2      LEU  27   4.781  18.174   1.023
  211    H    ALA  28           H        ALA  28  -0.487  18.513  -0.565
  212    HA   ALA  28           HA       ALA  28  -0.839  21.153  -1.527
  213   1HB   ALA  28          1HB       ALA  28  -2.334  19.279  -2.225
  214   2HB   ALA  28          2HB       ALA  28  -3.004  19.172  -0.571
  215   3HB   ALA  28          3HB       ALA  28  -3.290  20.637  -1.557
  216    H    GLN  29           H        GLN  29  -1.602  19.651   1.729
  217    HA   GLN  29           HA       GLN  29  -2.411  22.394   2.674
  218   1HB   GLN  29          1HB       GLN  29  -3.116  19.637   3.819
  219   2HB   GLN  29          2HB       GLN  29  -3.706  21.227   4.383
  220   1HG   GLN  29          1HG       GLN  29  -4.745  21.603   2.085
  221   2HG   GLN  29          2HG       GLN  29  -4.264  19.943   1.631
  222   1HE2  GLN  29          1HE2      GLN  29  -6.873  20.270   1.320
  223   2HE2  GLN  29          2HE2      GLN  29  -7.782  19.648   2.649
  224    H    LYS  30           H        LYS  30   0.398  21.944   2.408
  225    HA   LYS  30           HA       LYS  30   1.003  22.576   5.165
  226   1HB   LYS  30          1HB       LYS  30   1.070  19.962   5.108
  227   2HB   LYS  30          2HB       LYS  30   2.486  20.125   4.033
  228   1HG   LYS  30          1HG       LYS  30   3.681  21.396   5.875
  229   2HG   LYS  30          2HG       LYS  30   2.216  21.258   6.888
  230   1HD   LYS  30          1HD       LYS  30   2.433  18.731   6.811
  231   2HD   LYS  30          2HD       LYS  30   3.896  18.909   5.805
  232   1HE   LYS  30          1HE       LYS  30   4.533  18.478   8.149
  233   2HE   LYS  30          2HE       LYS  30   5.056  20.117   7.684
  234   1HZ   LYS  30          1HZ       LYS  30   3.285  21.088   9.050
  235   2HZ   LYS  30          2HZ       LYS  30   2.515  19.499   9.261
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1  -0.859 -23.344  -0.739
    2   2H    TYR   1          2H        TYR   1  -1.074 -24.489  -1.987
    3   3H    TYR   1          3H        TYR   1  -2.371 -24.227  -0.876
    4    HA   TYR   1           HA       TYR   1  -1.282 -22.110  -2.753
    5   1HB   TYR   1          1HB       TYR   1  -3.383 -22.567  -4.156
    6   2HB   TYR   1          2HB       TYR   1  -2.153 -23.832  -4.176
    7    HD1  TYR   1           HD1      TYR   1  -5.360 -22.861  -2.411
    8    HD2  TYR   1           HD2      TYR   1  -2.748 -26.080  -3.580
    9    HE1  TYR   1           HE1      TYR   1  -7.023 -24.510  -1.629
   10    HE2  TYR   1           HE2      TYR   1  -4.426 -27.714  -2.850
   11    HH   TYR   1           HH       TYR   1  -6.601 -28.043  -1.914
   12    H    ALA   2           H        ALA   2  -2.522 -22.089   0.311
   13    HA   ALA   2           HA       ALA   2  -4.845 -20.404  -0.220
   14   1HB   ALA   2          1HB       ALA   2  -3.249 -20.803   2.377
   15   2HB   ALA   2          2HB       ALA   2  -4.853 -20.025   2.242
   16   3HB   ALA   2          3HB       ALA   2  -4.673 -21.764   1.876
   17    H    GLU   3           H        GLU   3  -4.896 -18.066   0.636
   18    HA   GLU   3           HA       GLU   3  -2.324 -16.659  -0.045
   19   1HB   GLU   3          1HB       GLU   3  -5.231 -15.682   0.235
   20   2HB   GLU   3          2HB       GLU   3  -3.824 -14.617   0.021
   21   1HG   GLU   3          1HG       GLU   3  -3.274 -15.759  -2.161
   22   2HG   GLU   3          2HG       GLU   3  -4.685 -16.830  -1.946
   23    H    GLY   4           H        GLY   4  -1.460 -17.674   2.088
   24   1HA   GLY   4          1HA       GLY   4  -2.655 -16.830   4.565
   25   2HA   GLY   4          2HA       GLY   4  -0.987 -17.403   4.370
   26    H    THR   5           H        THR   5   0.657 -15.790   3.445
   27    HA   THR   5           HA       THR   5   0.094 -13.135   4.635
   28    HB   THR   5           HB       THR   5   2.281 -14.353   5.074
   29    HG1  THR   5           HG1      THR   5   2.117 -11.995   5.313
   30   1HG2  THR   5          1HG2      THR   5   2.809 -15.182   2.733
   31   2HG2  THR   5          2HG2      THR   5   2.962 -13.488   2.184
   32   3HG2  THR   5          3HG2      THR   5   4.098 -14.143   3.387
   33    H    PHE   6           H        PHE   6  -0.683 -14.364   1.553
   34    HA   PHE   6           HA       PHE   6   0.650 -12.474  -0.048
   35   1HB   PHE   6          1HB       PHE   6  -1.021 -14.515  -0.766
   36   2HB   PHE   6          2HB       PHE   6  -2.184 -13.183  -0.895
   37    HD1  PHE   6           HD1      PHE   6  -1.642 -11.209  -2.433
   38    HD2  PHE   6           HD2      PHE   6   0.800 -14.756  -2.333
   39    HE1  PHE   6           HE1      PHE   6  -0.655 -10.602  -4.623
   40    HE2  PHE   6           HE2      PHE   6   1.763 -14.156  -4.527
   41    HZ   PHE   6           HZ       PHE   6   1.042 -12.078  -5.678
   42    H    ILE   7           H        ILE   7  -2.546 -12.366   1.669
   43    HA   ILE   7           HA       ILE   7  -3.440  -9.932   0.860
   44    HB   ILE   7           HB       ILE   7  -4.645 -11.359   2.503
   45   1HG1  ILE   7          1HG1      ILE   7  -5.624  -9.608   3.976
   46   2HG1  ILE   7          2HG1      ILE   7  -4.302  -8.485   3.588
   47   1HG2  ILE   7          1HG2      ILE   7  -4.108 -11.366   4.912
   48   2HG2  ILE   7          2HG2      ILE   7  -2.656 -11.878   4.023
   49   3HG2  ILE   7          3HG2      ILE   7  -2.764 -10.221   4.674
   50   1HD1  ILE   7          1HD1      ILE   7  -6.276  -9.639   1.506
   51   2HD1  ILE   7          2HD1      ILE   7  -6.471  -8.062   2.326
   52   3HD1  ILE   7          3HD1      ILE   7  -5.097  -8.317   1.232
   53    H    SER   8           H        SER   8  -0.655 -10.458   3.175
   54    HA   SER   8           HA       SER   8  -0.562  -7.758   4.036
   55   1HB   SER   8          1HB       SER   8   0.785  -9.517   5.146
   56   2HB   SER   8          2HB       SER   8   1.820  -9.672   3.689
   57    HG   SER   8           HG       SER   8   2.723  -8.115   5.251
   58    H    ASP   9           H        ASP   9   1.216  -9.419   1.229
   59    HA   ASP   9           HA       ASP   9   2.494  -7.015   0.456
   60   1HB   ASP   9          1HB       ASP   9   2.879  -7.994  -1.751
   61   2HB   ASP   9          2HB       ASP   9   3.207  -9.188  -0.469
   62    H    TYR  10           H        TYR  10  -0.821  -8.311  -0.312
   63    HA   TYR  10           HA       TYR  10  -1.320  -6.360  -2.341
   64   1HB   TYR  10          1HB       TYR  10  -2.706  -8.454  -1.986
   65   2HB   TYR  10          2HB       TYR  10  -3.373  -7.736  -0.505
   66    HD1  TYR  10           HD1      TYR  10  -3.041  -7.282  -4.210
   67    HD2  TYR  10           HD2      TYR  10  -5.140  -6.018  -0.673
   68    HE1  TYR  10           HE1      TYR  10  -4.699  -6.099  -5.613
   69    HE2  TYR  10           HE2      TYR  10  -6.839  -4.914  -2.074
   70    HH   TYR  10           HH       TYR  10  -7.525  -4.360  -4.295
   71    H    SER  11           H        SER  11  -2.011  -6.408   1.260
   72    HA   SER  11           HA       SER  11  -3.347  -3.896   1.282
   73   1HB   SER  11          1HB       SER  11  -1.628  -5.158   3.509
   74   2HB   SER  11          2HB       SER  11  -2.862  -3.886   3.733
   75    HG   SER  11           HG       SER  11  -4.420  -5.537   2.949
   76    H    ILE  12           H        ILE  12   0.176  -4.783   1.570
   77    HA   ILE  12           HA       ILE  12   1.012  -2.107   2.224
   78    HB   ILE  12           HB       ILE  12   2.521  -4.446   0.932
   79   1HG1  ILE  12          1HG1      ILE  12   2.845  -3.214   3.746
   80   2HG1  ILE  12          2HG1      ILE  12   1.697  -4.530   3.433
   81   1HG2  ILE  12          1HG2      ILE  12   3.628  -1.716   1.828
   82   2HG2  ILE  12          2HG2      ILE  12   4.629  -3.117   1.348
   83   3HG2  ILE  12          3HG2      ILE  12   3.582  -2.337   0.154
   84   1HD1  ILE  12          1HD1      ILE  12   3.762  -5.484   4.325
   85   2HD1  ILE  12          2HD1      ILE  12   3.558  -6.013   2.633
   86   3HD1  ILE  12          3HD1      ILE  12   4.747  -4.741   3.043
   87    H    ALA  13           H        ALA  13   0.685  -3.938  -0.944
   88    HA   ALA  13           HA       ALA  13   1.616  -1.802  -2.546
   89   1HB   ALA  13          1HB       ALA  13   0.303  -2.827  -4.415
   90   2HB   ALA  13          2HB       ALA  13   1.186  -4.077  -3.490
   91   3HB   ALA  13          3HB       ALA  13  -0.573  -3.863  -3.252
   92    H    MET  14           H        MET  14  -1.752  -2.545  -1.306
   93    HA   MET  14           HA       MET  14  -2.980  -0.426  -2.746
   94   1HB   MET  14          1HB       MET  14  -3.733  -1.630  -0.031
   95   2HB   MET  14          2HB       MET  14  -4.786  -0.505  -0.912
   96   1HG   MET  14          1HG       MET  14  -3.907  -3.033  -2.421
   97   2HG   MET  14          2HG       MET  14  -5.094  -3.177  -1.100
   98   1HE   MET  14          1HE       MET  14  -4.336  -1.626  -4.610
   99   2HE   MET  14          2HE       MET  14  -5.950  -1.037  -5.118
  100   3HE   MET  14          3HE       MET  14  -4.985  -0.070  -3.967
  101    H    ASP  15           H        ASP  15  -1.463  -0.508   0.591
  102    HA   ASP  15           HA       ASP  15  -2.178   2.182   1.187
  103   1HB   ASP  15          1HB       ASP  15  -1.333   0.725   2.978
  104   2HB   ASP  15          2HB       ASP  15   0.242   0.549   2.169
  105    H    LYS  16           H        LYS  16   0.925   0.792  -0.191
  106    HA   LYS  16           HA       LYS  16   2.244   3.235  -0.469
  107   1HB   LYS  16          1HB       LYS  16   3.291   0.993  -0.807
  108   2HB   LYS  16          2HB       LYS  16   2.407   0.794  -2.346
  109   1HG   LYS  16          1HG       LYS  16   3.618   2.764  -3.315
  110   2HG   LYS  16          2HG       LYS  16   4.432   3.051  -1.750
  111   1HD   LYS  16          1HD       LYS  16   5.534   0.791  -1.913
  112   2HD   LYS  16          2HD       LYS  16   4.731   0.508  -3.482
  113   1HE   LYS  16          1HE       LYS  16   5.918   2.495  -4.453
  114   2HE   LYS  16          2HE       LYS  16   6.737   2.779  -2.887
  115   1HZ   LYS  16          1HZ       LYS  16   8.145   1.477  -4.505
  116   2HZ   LYS  16          2HZ       LYS  16   7.785   0.514  -3.087
  117    H    ILE  17           H        ILE  17  -0.136   1.676  -2.746
  118    HA   ILE  17           HA       ILE  17   0.184   3.691  -4.790
  119    HB   ILE  17           HB       ILE  17  -2.159   1.839  -4.093
  120   1HG1  ILE  17          1HG1      ILE  17  -0.312   1.780  -6.560
  121   2HG1  ILE  17          2HG1      ILE  17   0.131   0.936  -5.066
  122   1HG2  ILE  17          1HG2      ILE  17  -3.166   2.522  -6.315
  123   2HG2  ILE  17          2HG2      ILE  17  -3.114   3.865  -5.165
  124   3HG2  ILE  17          3HG2      ILE  17  -1.903   3.773  -6.473
  125   1HD1  ILE  17          1HD1      ILE  17  -2.397   0.328  -6.719
  126   2HD1  ILE  17          2HD1      ILE  17  -0.922  -0.658  -6.592
  127   3HD1  ILE  17          3HD1      ILE  17  -1.964  -0.433  -5.161
  128    H    HIS  18           H        HIS  18  -2.128   3.311  -1.981
  129    HA   HIS  18           HA       HIS  18  -3.498   5.708  -2.558
  130   1HB   HIS  18          1HB       HIS  18  -4.299   3.880  -0.952
  131   2HB   HIS  18          2HB       HIS  18  -3.070   4.445   0.210
  132    HD1  HIS  18           HD1      HIS  18  -4.942   4.969   1.864
  133    HD2  HIS  18           HD2      HIS  18  -5.195   7.141  -1.731
  134    HE1  HIS  18           HE1      HIS  18  -6.608   6.811   2.288
  135    H    GLN  19           H        GLN  19  -0.344   5.182  -0.864
  136    HA   GLN  19           HA       GLN  19  -0.265   7.580   0.584
  137   1HB   GLN  19          1HB       GLN  19   2.026   6.121  -0.852
  138   2HB   GLN  19          2HB       GLN  19   2.277   7.561   0.164
  139   1HG   GLN  19          1HG       GLN  19   1.362   6.436   2.157
  140   2HG   GLN  19          2HG       GLN  19   0.996   4.969   1.218
  141   1HE2  GLN  19          1HE2      GLN  19   2.493   4.410   3.351
  142   2HE2  GLN  19          2HE2      GLN  19   4.155   4.210   2.929
  143    H    GLN  20           H        GLN  20   0.118   7.048  -2.996
  144    HA   GLN  20           HA       GLN  20   1.183   9.483  -3.739
  145   1HB   GLN  20          1HB       GLN  20   0.429   7.809  -5.382
  146   2HB   GLN  20          2HB       GLN  20  -1.277   8.068  -4.955
  147   1HG   GLN  20          1HG       GLN  20   0.607  10.175  -6.195
  148   2HG   GLN  20          2HG       GLN  20  -0.581   9.215  -7.105
  149   1HE2  GLN  20          1HE2      GLN  20  -3.011   9.366  -6.064
  150   2HE2  GLN  20          2HE2      GLN  20  -3.470  10.990  -5.720
  151    H    ASP  21           H        ASP  21  -2.330   8.848  -2.852
  152    HA   ASP  21           HA       ASP  21  -3.015  11.627  -3.132
  153   1HB   ASP  21          1HB       ASP  21  -4.453   9.485  -1.465
  154   2HB   ASP  21          2HB       ASP  21  -5.123  11.050  -1.980
  155    H    PHE  22           H        PHE  22  -2.085   9.549  -0.242
  156    HA   PHE  22           HA       PHE  22  -2.822  11.529   1.646
  157   1HB   PHE  22          1HB       PHE  22  -2.241   9.066   2.150
  158   2HB   PHE  22          2HB       PHE  22  -0.527   9.525   2.069
  159    HD1  PHE  22           HD1      PHE  22  -3.662   9.776   4.005
  160    HD2  PHE  22           HD2      PHE  22   0.394  11.198   3.745
  161    HE1  PHE  22           HE1      PHE  22  -3.805  10.609   6.327
  162    HE2  PHE  22           HE2      PHE  22   0.227  12.078   6.053
  163    HZ   PHE  22           HZ       PHE  22  -1.867  11.774   7.354
  164    H    VAL  23           H        VAL  23   0.327  10.916  -0.062
  165    HA   VAL  23           HA       VAL  23   1.719  12.959   1.448
  166    HB   VAL  23           HB       VAL  23   2.420  11.589  -1.207
  167   1HG1  VAL  23          1HG1      VAL  23   4.098  13.518   0.534
  168   2HG1  VAL  23          2HG1      VAL  23   4.735  12.549  -0.828
  169   3HG1  VAL  23          3HG1      VAL  23   3.522  13.815  -1.133
  170   1HG2  VAL  23          1HG2      VAL  23   2.419  10.087   0.850
  171   2HG2  VAL  23          2HG2      VAL  23   4.055  10.315   0.185
  172   3HG2  VAL  23          3HG2      VAL  23   3.550  11.211   1.645
  173    H    ASN  24           H        ASN  24   0.107  12.804  -1.859
  174    HA   ASN  24           HA       ASN  24   0.667  15.477  -2.556
  175   1HB   ASN  24          1HB       ASN  24  -0.464  13.862  -4.088
  176   2HB   ASN  24          2HB       ASN  24  -1.936  13.924  -3.075
  177   1HD2  ASN  24          1HD2      ASN  24  -2.694  14.495  -5.470
  178   2HD2  ASN  24          2HD2      ASN  24  -2.736  16.184  -5.821
  179    H    TRP  25           H        TRP  25  -1.870  14.100  -0.328
  180    HA   TRP  25           HA       TRP  25  -3.288  16.539  -0.027
  181   1HB   TRP  25          1HB       TRP  25  -4.359  14.497   0.686
  182   2HB   TRP  25          2HB       TRP  25  -3.074  14.120   1.855
  183    HD1  TRP  25           HD1      TRP  25  -6.108  16.442   1.486
  184    HE1  TRP  25           HE1      TRP  25  -6.593  17.481   3.732
  185    HE3  TRP  25           HE3      TRP  25  -1.971  14.768   4.118
  186    HZ2  TRP  25           HZ2      TRP  25  -5.469  17.684   6.230
  187    HZ3  TRP  25           HZ3      TRP  25  -1.691  15.596   6.465
  188    HH2  TRP  25           HH2      TRP  25  -3.418  17.032   7.504
  189    H    LEU  26           H        LEU  26  -0.496  15.192   2.023
  190    HA   LEU  26           HA       LEU  26  -0.673  17.518   3.715
  191   1HB   LEU  26          1HB       LEU  26   1.351  16.902   4.805
  192   2HB   LEU  26          2HB       LEU  26   0.377  15.455   4.495
  193    HG   LEU  26           HG       LEU  26   1.959  15.200   2.356
  194   1HD1  LEU  26          1HD1      LEU  26   3.808  16.830   4.202
  195   2HD1  LEU  26          2HD1      LEU  26   4.273  16.008   2.686
  196   3HD1  LEU  26          3HD1      LEU  26   3.191  17.414   2.639
  197   1HD2  LEU  26          1HD2      LEU  26   2.945  14.586   5.199
  198   2HD2  LEU  26          2HD2      LEU  26   1.864  13.559   4.209
  199   3HD2  LEU  26          3HD2      LEU  26   3.551  13.818   3.700
  200    H    LEU  27           H        LEU  27   1.104  16.843   0.624
  201    HA   LEU  27           HA       LEU  27   2.623  19.299   0.782
  202   1HB   LEU  27          1HB       LEU  27   1.697  17.698  -1.661
  203   2HB   LEU  27          2HB       LEU  27   2.840  19.058  -1.735
  204    HG   LEU  27           HG       LEU  27   3.400  16.472  -0.146
  205   1HD1  LEU  27          1HD1      LEU  27   4.394  17.320  -2.947
  206   2HD1  LEU  27          2HD1      LEU  27   4.921  15.870  -2.048
  207   3HD1  LEU  27          3HD1      LEU  27   3.236  16.001  -2.611
  208   1HD2  LEU  27          1HD2      LEU  27   5.783  17.285  -0.195
  209   2HD2  LEU  27          2HD2      LEU  27   5.236  18.817  -0.929
  210   3HD2  LEU  27          3HD2      LEU  27   4.744  18.378   0.732
  211    H    ALA  28           H        ALA  28  -0.762  18.519  -0.298
  212    HA   ALA  28           HA       ALA  28  -1.132  21.137  -1.475
  213   1HB   ALA  28          1HB       ALA  28  -2.679  19.260  -2.007
  214   2HB   ALA  28          2HB       ALA  28  -3.252  19.222  -0.316
  215   3HB   ALA  28          3HB       ALA  28  -3.558  20.663  -1.324
  216    H    GLN  29           H        GLN  29  -1.920  19.656   1.797
  217    HA   GLN  29           HA       GLN  29  -2.406  22.420   2.856
  218   1HB   GLN  29          1HB       GLN  29  -2.946  19.668   4.121
  219   2HB   GLN  29          2HB       GLN  29  -3.347  21.275   4.798
  220   1HG   GLN  29          1HG       GLN  29  -4.785  21.709   2.716
  221   2HG   GLN  29          2HG       GLN  29  -4.479  20.025   2.207
  222   1HE2  GLN  29          1HE2      GLN  29  -7.056  20.347   2.340
  223   2HE2  GLN  29          2HE2      GLN  29  -7.747  19.863   3.846
  224    H    LYS  30           H        LYS  30   0.023  22.687   2.348
  225    HA   LYS  30           HA       LYS  30   1.824  21.153   4.144
  226   1HB   LYS  30          1HB       LYS  30   2.359  21.658   1.749
  227   2HB   LYS  30          2HB       LYS  30   2.402  23.400   2.128
  228   1HG   LYS  30          1HG       LYS  30   4.316  22.964   3.723
  229   2HG   LYS  30          2HG       LYS  30   4.227  21.218   3.345
  230   1HD   LYS  30          1HD       LYS  30   4.686  21.728   0.905
  231   2HD   LYS  30          2HD       LYS  30   4.826  23.463   1.307
  232   1HE   LYS  30          1HE       LYS  30   6.783  22.951   2.814
  233   2HE   LYS  30          2HE       LYS  30   6.636  21.219   2.405
  234   1HZ   LYS  30          1HZ       LYS  30   7.114  21.759   0.041
  235   2HZ   LYS  30          2HZ       LYS  30   7.265  23.465   0.447
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1  -5.793 -22.727  -5.098
    2   2H    TYR   1          2H        TYR   1  -6.754 -22.588  -3.650
    3   3H    TYR   1          3H        TYR   1  -5.029 -22.738  -3.552
    4    HA   TYR   1           HA       TYR   1  -4.745 -20.535  -4.620
    5   1HB   TYR   1          1HB       TYR   1  -6.783 -20.645  -6.078
    6   2HB   TYR   1          2HB       TYR   1  -7.827 -20.512  -4.649
    7    HD1  TYR   1           HD1      TYR   1  -4.942 -18.757  -6.369
    8    HD2  TYR   1           HD2      TYR   1  -8.516 -18.269  -4.021
    9    HE1  TYR   1           HE1      TYR   1  -4.757 -16.314  -6.601
   10    HE2  TYR   1           HE2      TYR   1  -8.378 -15.824  -4.331
   11    HH   TYR   1           HH       TYR   1  -5.722 -14.195  -6.072
   12    H    ALA   2           H        ALA   2  -3.855 -20.931  -2.332
   13    HA   ALA   2           HA       ALA   2  -5.663 -19.944  -0.167
   14   1HB   ALA   2          1HB       ALA   2  -4.426 -22.029   0.246
   15   2HB   ALA   2          2HB       ALA   2  -2.869 -21.205  -0.052
   16   3HB   ALA   2          3HB       ALA   2  -3.878 -20.729   1.346
   17    H    GLU   3           H        GLU   3  -5.705 -17.601  -0.669
   18    HA   GLU   3           HA       GLU   3  -3.160 -16.171  -1.002
   19   1HB   GLU   3          1HB       GLU   3  -6.007 -15.185  -0.389
   20   2HB   GLU   3          2HB       GLU   3  -4.603 -14.114  -0.586
   21   1HG   GLU   3          1HG       GLU   3  -4.224 -15.025  -2.916
   22   2HG   GLU   3          2HG       GLU   3  -5.675 -16.044  -2.736
   23    H    GLY   4           H        GLY   4  -2.046 -17.280   0.912
   24   1HA   GLY   4          1HA       GLY   4  -3.145 -16.722   3.569
   25   2HA   GLY   4          2HA       GLY   4  -1.576 -17.459   3.206
   26    H    THR   5           H        THR   5   0.251 -15.977   2.464
   27    HA   THR   5           HA       THR   5   0.097 -13.461   3.997
   28    HB   THR   5           HB       THR   5   2.519 -13.233   3.311
   29    HG1  THR   5           HG1      THR   5   2.379 -14.510   1.298
   30   1HG2  THR   5          1HG2      THR   5   1.763 -15.968   4.523
   31   2HG2  THR   5          2HG2      THR   5   3.355 -15.164   4.640
   32   3HG2  THR   5          3HG2      THR   5   1.926 -14.429   5.423
   33    H    PHE   6           H        PHE   6  -0.640 -14.317   0.633
   34    HA   PHE   6           HA       PHE   6   0.282 -12.033  -0.665
   35   1HB   PHE   6          1HB       PHE   6  -2.299 -13.640  -0.991
   36   2HB   PHE   6          2HB       PHE   6  -2.129 -12.113  -1.871
   37    HD1  PHE   6           HD1      PHE   6  -0.346 -11.730  -3.523
   38    HD2  PHE   6           HD2      PHE   6  -0.798 -15.576  -1.640
   39    HE1  PHE   6           HE1      PHE   6   0.954 -12.775  -5.348
   40    HE2  PHE   6           HE2      PHE   6   0.505 -16.617  -3.468
   41    HZ   PHE   6           HZ       PHE   6   1.371 -15.225  -5.333
   42    H    ILE   7           H        ILE   7  -2.613 -12.302   1.556
   43    HA   ILE   7           HA       ILE   7  -3.631  -9.825   1.032
   44    HB   ILE   7           HB       ILE   7  -4.641 -11.423   2.678
   45   1HG1  ILE   7          1HG1      ILE   7  -5.567  -9.790   4.288
   46   2HG1  ILE   7          2HG1      ILE   7  -4.320  -8.591   3.876
   47   1HG2  ILE   7          1HG2      ILE   7  -2.493 -11.903   3.990
   48   2HG2  ILE   7          2HG2      ILE   7  -2.637 -10.294   4.741
   49   3HG2  ILE   7          3HG2      ILE   7  -3.893 -11.527   5.021
   50   1HD1  ILE   7          1HD1      ILE   7  -6.374  -9.705   1.853
   51   2HD1  ILE   7          2HD1      ILE   7  -6.600  -8.200   2.788
   52   3HD1  ILE   7          3HD1      ILE   7  -5.285  -8.302   1.602
   53    H    SER   8           H        SER   8  -0.628 -10.517   2.950
   54    HA   SER   8           HA       SER   8  -0.459  -7.878   4.047
   55   1HB   SER   8          1HB       SER   8   1.816  -9.887   3.520
   56   2HB   SER   8          2HB       SER   8   1.964  -8.349   4.410
   57    HG   SER   8           HG       SER   8   0.247 -10.501   5.230
   58    H    ASP   9           H        ASP   9   1.262  -9.389   1.118
   59    HA   ASP   9           HA       ASP   9   2.430  -6.893   0.434
   60   1HB   ASP   9          1HB       ASP   9   2.858  -7.801  -1.819
   61   2HB   ASP   9          2HB       ASP   9   3.324  -8.937  -0.528
   62    H    TYR  10           H        TYR  10  -0.822  -8.289  -0.354
   63    HA   TYR  10           HA       TYR  10  -1.486  -6.327  -2.314
   64   1HB   TYR  10          1HB       TYR  10  -2.883  -8.371  -1.923
   65   2HB   TYR  10          2HB       TYR  10  -3.324  -7.781  -0.308
   66    HD1  TYR  10           HD1      TYR  10  -3.865  -7.297  -3.941
   67    HD2  TYR  10           HD2      TYR  10  -4.789  -5.773  -0.023
   68    HE1  TYR  10           HE1      TYR  10  -5.744  -6.019  -4.885
   69    HE2  TYR  10           HE2      TYR  10  -6.643  -4.450  -0.982
   70    HH   TYR  10           HH       TYR  10  -7.602  -4.592  -4.415
   71    H    SER  11           H        SER  11  -1.913  -6.402   1.326
   72    HA   SER  11           HA       SER  11  -3.285  -3.888   1.393
   73   1HB   SER  11          1HB       SER  11  -3.358  -5.534   3.270
   74   2HB   SER  11          2HB       SER  11  -1.632  -5.234   3.622
   75    HG   SER  11           HG       SER  11  -2.322  -2.981   4.076
   76    H    ILE  12           H        ILE  12   0.240  -4.799   1.616
   77    HA   ILE  12           HA       ILE  12   1.051  -2.139   2.410
   78    HB   ILE  12           HB       ILE  12   2.618  -4.424   1.102
   79   1HG1  ILE  12          1HG1      ILE  12   2.783  -3.338   3.987
   80   2HG1  ILE  12          2HG1      ILE  12   1.676  -4.648   3.542
   81   1HG2  ILE  12          1HG2      ILE  12   3.702  -2.264   0.490
   82   2HG2  ILE  12          2HG2      ILE  12   3.668  -1.742   2.196
   83   3HG2  ILE  12          3HG2      ILE  12   4.698  -3.107   1.683
   84   1HD1  ILE  12          1HD1      ILE  12   3.697  -5.638   4.484
   85   2HD1  ILE  12          2HD1      ILE  12   3.606  -6.057   2.752
   86   3HD1  ILE  12          3HD1      ILE  12   4.745  -4.798   3.318
   87    H    ALA  13           H        ALA  13   0.955  -3.905  -0.809
   88    HA   ALA  13           HA       ALA  13   1.887  -1.704  -2.318
   89   1HB   ALA  13          1HB       ALA  13  -0.164  -3.854  -3.168
   90   2HB   ALA  13          2HB       ALA  13   0.709  -2.749  -4.274
   91   3HB   ALA  13          3HB       ALA  13   1.615  -3.971  -3.329
   92    H    MET  14           H        MET  14  -1.520  -2.647  -1.353
   93    HA   MET  14           HA       MET  14  -2.811  -0.562  -2.734
   94   1HB   MET  14          1HB       MET  14  -4.053  -2.415  -1.582
   95   2HB   MET  14          2HB       MET  14  -3.560  -1.759   0.001
   96   1HG   MET  14          1HG       MET  14  -4.855   0.386  -0.517
   97   2HG   MET  14          2HG       MET  14  -5.320  -0.321  -2.092
   98   1HE   MET  14          1HE       MET  14  -5.202  -1.640   1.798
   99   2HE   MET  14          2HE       MET  14  -6.051  -0.061   1.708
  100   3HE   MET  14          3HE       MET  14  -6.966  -1.554   2.079
  101    H    ASP  15           H        ASP  15  -1.347  -0.600   0.640
  102    HA   ASP  15           HA       ASP  15  -2.136   2.052   1.242
  103   1HB   ASP  15          1HB       ASP  15  -1.218   0.609   3.023
  104   2HB   ASP  15          2HB       ASP  15   0.364   0.533   2.207
  105    H    LYS  16           H        LYS  16   0.960   0.770  -0.285
  106    HA   LYS  16           HA       LYS  16   2.202   3.269  -0.479
  107   1HB   LYS  16          1HB       LYS  16   3.324   1.073  -0.997
  108   2HB   LYS  16          2HB       LYS  16   2.383   0.977  -2.513
  109   1HG   LYS  16          1HG       LYS  16   3.499   3.093  -3.329
  110   2HG   LYS  16          2HG       LYS  16   4.337   3.250  -1.764
  111   1HD   LYS  16          1HD       LYS  16   5.912   2.379  -3.391
  112   2HD   LYS  16          2HD       LYS  16   5.571   1.082  -2.216
  113   1HE   LYS  16          1HE       LYS  16   4.044  -0.030  -3.862
  114   2HE   LYS  16          2HE       LYS  16   4.270   1.323  -5.013
  115   1HZ   LYS  16          1HZ       LYS  16   5.720  -0.661  -5.505
  116   2HZ   LYS  16          2HZ       LYS  16   6.703   0.735  -5.109
  117    H    ILE  17           H        ILE  17  -0.167   1.704  -2.775
  118    HA   ILE  17           HA       ILE  17   0.008   3.824  -4.713
  119    HB   ILE  17           HB       ILE  17  -2.325   1.959  -4.005
  120   1HG1  ILE  17          1HG1      ILE  17  -0.318   0.785  -4.982
  121   2HG1  ILE  17          2HG1      ILE  17  -1.789   0.653  -5.963
  122   1HG2  ILE  17          1HG2      ILE  17  -3.318   2.672  -6.247
  123   2HG2  ILE  17          2HG2      ILE  17  -3.346   3.930  -4.991
  124   3HG2  ILE  17          3HG2      ILE  17  -2.125   4.007  -6.285
  125   1HD1  ILE  17          1HD1      ILE  17  -0.899   2.368  -7.568
  126   2HD1  ILE  17          2HD1      ILE  17   0.586   2.531  -6.581
  127   3HD1  ILE  17          3HD1      ILE  17   0.207   0.990  -7.379
  128    H    HIS  18           H        HIS  18  -2.138   3.297  -1.795
  129    HA   HIS  18           HA       HIS  18  -3.589   5.673  -2.249
  130   1HB   HIS  18          1HB       HIS  18  -4.242   3.798  -0.622
  131   2HB   HIS  18          2HB       HIS  18  -2.982   4.409   0.483
  132    HD1  HIS  18           HD1      HIS  18  -4.904   4.760   2.168
  133    HD2  HIS  18           HD2      HIS  18  -5.180   7.132  -1.297
  134    HE1  HIS  18           HE1      HIS  18  -6.590   6.560   2.694
  135    H    GLN  19           H        GLN  19  -0.361   5.140  -0.673
  136    HA   GLN  19           HA       GLN  19  -0.262   7.577   0.729
  137   1HB   GLN  19          1HB       GLN  19   2.036   6.021  -0.592
  138   2HB   GLN  19          2HB       GLN  19   2.272   7.501   0.364
  139   1HG   GLN  19          1HG       GLN  19   1.273   6.442   2.384
  140   2HG   GLN  19          2HG       GLN  19   0.931   4.958   1.472
  141   1HE2  GLN  19          1HE2      GLN  19   3.744   7.176   2.346
  142   2HE2  GLN  19          2HE2      GLN  19   4.875   5.880   2.467
  143    H    GLN  20           H        GLN  20   0.148   6.931  -2.832
  144    HA   GLN  20           HA       GLN  20   1.280   9.348  -3.590
  145   1HB   GLN  20          1HB       GLN  20   0.609   7.679  -5.251
  146   2HB   GLN  20          2HB       GLN  20  -1.115   7.891  -4.872
  147   1HG   GLN  20          1HG       GLN  20   0.710  10.074  -6.055
  148   2HG   GLN  20          2HG       GLN  20  -0.392   9.052  -7.008
  149   1HE2  GLN  20          1HE2      GLN  20  -2.863   9.055  -6.045
  150   2HE2  GLN  20          2HE2      GLN  20  -3.426  10.648  -5.703
  151    H    ASP  21           H        ASP  21  -2.278   8.744  -2.847
  152    HA   ASP  21           HA       ASP  21  -2.920  11.516  -3.184
  153   1HB   ASP  21          1HB       ASP  21  -4.647   9.687  -3.259
  154   2HB   ASP  21          2HB       ASP  21  -4.420   9.429  -1.506
  155    H    PHE  22           H        PHE  22  -2.072   9.507  -0.221
  156    HA   PHE  22           HA       PHE  22  -2.818  11.524   1.609
  157   1HB   PHE  22          1HB       PHE  22  -2.182   9.082   2.178
  158   2HB   PHE  22          2HB       PHE  22  -0.478   9.587   2.096
  159    HD1  PHE  22           HD1      PHE  22   0.361  11.394   3.691
  160    HD2  PHE  22           HD2      PHE  22  -3.585   9.712   4.061
  161    HE1  PHE  22           HE1      PHE  22   0.150  12.369   5.957
  162    HE2  PHE  22           HE2      PHE  22  -3.754  10.614   6.353
  163    HZ   PHE  22           HZ       PHE  22  -1.899  11.966   7.301
  164    H    VAL  23           H        VAL  23   0.342  10.908  -0.082
  165    HA   VAL  23           HA       VAL  23   1.714  13.004   1.348
  166    HB   VAL  23           HB       VAL  23   2.381  11.606  -1.299
  167   1HG1  VAL  23          1HG1      VAL  23   4.051  13.624   0.338
  168   2HG1  VAL  23          2HG1      VAL  23   4.679  12.632  -1.011
  169   3HG1  VAL  23          3HG1      VAL  23   3.424  13.856  -1.322
  170   1HG2  VAL  23          1HG2      VAL  23   4.090  10.413   0.073
  171   2HG2  VAL  23          2HG2      VAL  23   3.609  11.332   1.528
  172   3HG2  VAL  23          3HG2      VAL  23   2.484  10.156   0.799
  173    H    ASN  24           H        ASN  24   0.021  12.784  -1.910
  174    HA   ASN  24           HA       ASN  24   0.536  15.452  -2.667
  175   1HB   ASN  24          1HB       ASN  24  -0.620  13.784  -4.136
  176   2HB   ASN  24          2HB       ASN  24  -2.071  13.875  -3.096
  177   1HD2  ASN  24          1HD2      ASN  24  -2.872  14.381  -5.491
  178   2HD2  ASN  24          2HD2      ASN  24  -2.931  16.061  -5.879
  179    H    TRP  25           H        TRP  25  -1.949  14.094  -0.365
  180    HA   TRP  25           HA       TRP  25  -3.360  16.544  -0.066
  181   1HB   TRP  25          1HB       TRP  25  -4.425  14.510   0.677
  182   2HB   TRP  25          2HB       TRP  25  -3.122  14.132   1.824
  183    HD1  TRP  25           HD1      TRP  25  -6.149  16.467   1.501
  184    HE1  TRP  25           HE1      TRP  25  -6.589  17.517   3.752
  185    HE3  TRP  25           HE3      TRP  25  -1.988  14.761   4.075
  186    HZ2  TRP  25           HZ2      TRP  25  -5.410  17.742   6.222
  187    HZ3  TRP  25           HZ3      TRP  25  -1.651  15.614   6.407
  188    HH2  TRP  25           HH2      TRP  25  -3.340  17.082   7.461
  189    H    LEU  26           H        LEU  26  -0.561  15.170   1.961
  190    HA   LEU  26           HA       LEU  26  -0.712  17.464   3.672
  191   1HB   LEU  26          1HB       LEU  26   1.321  16.840   4.739
  192   2HB   LEU  26          2HB       LEU  26   0.376  15.381   4.390
  193    HG   LEU  26           HG       LEU  26   1.949  15.230   2.236
  194   1HD1  LEU  26          1HD1      LEU  26   4.256  16.065   2.587
  195   2HD1  LEU  26          2HD1      LEU  26   3.155  17.454   2.580
  196   3HD1  LEU  26          3HD1      LEU  26   3.778  16.836   4.125
  197   1HD2  LEU  26          1HD2      LEU  26   2.970  14.551   5.053
  198   2HD2  LEU  26          2HD2      LEU  26   1.900  13.531   4.046
  199   3HD2  LEU  26          3HD2      LEU  26   3.577  13.835   3.529
  200    H    LEU  27           H        LEU  27   1.047  16.869   0.552
  201    HA   LEU  27           HA       LEU  27   2.620  19.281   0.785
  202   1HB   LEU  27          1HB       LEU  27   1.602  17.802  -1.707
  203   2HB   LEU  27          2HB       LEU  27   2.752  19.158  -1.758
  204    HG   LEU  27           HG       LEU  27   3.333  16.510  -0.282
  205   1HD1  LEU  27          1HD1      LEU  27   4.209  17.417  -3.099
  206   2HD1  LEU  27          2HD1      LEU  27   4.769  15.941  -2.263
  207   3HD1  LEU  27          3HD1      LEU  27   3.060  16.098  -2.739
  208   1HD2  LEU  27          1HD2      LEU  27   4.743  18.385   0.583
  209   2HD2  LEU  27          2HD2      LEU  27   5.726  17.294  -0.410
  210   3HD2  LEU  27          3HD2      LEU  27   5.174  18.850  -1.089
  211    H    ALA  28           H        ALA  28  -0.645  18.563  -0.708
  212    HA   ALA  28           HA       ALA  28  -1.044  21.180  -1.694
  213   1HB   ALA  28          1HB       ALA  28  -3.174  19.237  -0.585
  214   2HB   ALA  28          2HB       ALA  28  -3.495  20.685  -1.584
  215   3HB   ALA  28          3HB       ALA  28  -2.585  19.304  -2.271
  216    H    GLN  29           H        GLN  29  -1.902  19.722   1.559
  217    HA   GLN  29           HA       GLN  29  -2.441  22.490   2.586
  218   1HB   GLN  29          1HB       GLN  29  -2.870  19.743   3.907
  219   2HB   GLN  29          2HB       GLN  29  -3.298  21.347   4.572
  220   1HG   GLN  29          1HG       GLN  29  -4.795  21.716   2.514
  221   2HG   GLN  29          2HG       GLN  29  -4.462  20.029   2.028
  222   1HE2  GLN  29          1HE2      GLN  29  -7.057  20.375   2.235
  223   2HE2  GLN  29          2HE2      GLN  29  -7.696  19.876   3.758
  224    H    LYS  30           H        LYS  30  -0.035  22.861   2.039
  225    HA   LYS  30           HA       LYS  30   1.947  21.293   3.268
  226   1HB   LYS  30          1HB       LYS  30   2.279  23.135   1.447
  227   2HB   LYS  30          2HB       LYS  30   2.205  24.303   2.782
  228   1HG   LYS  30          1HG       LYS  30   4.540  23.917   2.322
  229   2HG   LYS  30          2HG       LYS  30   4.211  23.039   3.833
  230   1HD   LYS  30          1HD       LYS  30   4.092  20.865   2.499
  231   2HD   LYS  30          2HD       LYS  30   4.293  21.799   0.996
  232   1HE   LYS  30          1HE       LYS  30   6.425  20.763   1.601
  233   2HE   LYS  30          2HE       LYS  30   6.587  22.527   1.783
  234   1HZ   LYS  30          1HZ       LYS  30   6.490  22.285   4.223
  235   2HZ   LYS  30          2HZ       LYS  30   6.077  20.566   4.067
  Start of MODEL    5
    1   1H    TYR   1          1H        TYR   1  -3.155 -21.775  -4.542
    2   2H    TYR   1          2H        TYR   1  -4.107 -22.946  -3.686
    3   3H    TYR   1          3H        TYR   1  -2.529 -23.380  -4.273
    4    HA   TYR   1           HA       TYR   1  -2.517 -22.994  -1.852
    5   1HB   TYR   1          1HB       TYR   1  -0.406 -22.508  -3.029
    6   2HB   TYR   1          2HB       TYR   1  -1.019 -20.924  -3.558
    7    HD1  TYR   1           HD1      TYR   1  -0.181 -19.062  -2.302
    8    HD2  TYR   1           HD2      TYR   1  -0.570 -22.863  -0.316
    9    HE1  TYR   1           HE1      TYR   1   0.744 -18.081  -0.252
   10    HE2  TYR   1           HE2      TYR   1   0.291 -21.852   1.766
   11    HH   TYR   1           HH       TYR   1   1.446 -18.484   1.996
   12    H    ALA   2           H        ALA   2  -3.124 -21.636  -0.001
   13    HA   ALA   2           HA       ALA   2  -5.282 -19.777  -0.633
   14   1HB   ALA   2          1HB       ALA   2  -5.330 -21.226   1.422
   15   2HB   ALA   2          2HB       ALA   2  -3.900 -20.356   2.059
   16   3HB   ALA   2          3HB       ALA   2  -5.451 -19.493   1.839
   17    H    GLU   3           H        GLU   3  -5.233 -17.466   0.420
   18    HA   GLU   3           HA       GLU   3  -2.681 -16.185  -0.401
   19   1HB   GLU   3          1HB       GLU   3  -5.391 -15.064   0.516
   20   2HB   GLU   3          2HB       GLU   3  -3.967 -14.044   0.243
   21   1HG   GLU   3          1HG       GLU   3  -5.454 -14.121  -1.783
   22   2HG   GLU   3          2HG       GLU   3  -3.817 -14.724  -2.128
   23    H    GLY   4           H        GLY   4  -1.483 -17.493   1.352
   24   1HA   GLY   4          1HA       GLY   4  -2.160 -17.083   4.101
   25   2HA   GLY   4          2HA       GLY   4  -0.582 -17.634   3.506
   26    H    THR   5           H        THR   5   0.820 -15.810   2.353
   27    HA   THR   5           HA       THR   5   0.533 -13.298   4.001
   28    HB   THR   5           HB       THR   5   3.108 -14.502   2.867
   29    HG1  THR   5           HG1      THR   5   2.217 -15.908   4.566
   30   1HG2  THR   5          1HG2      THR   5   4.180 -13.063   4.641
   31   2HG2  THR   5          2HG2      THR   5   3.307 -12.048   3.472
   32   3HG2  THR   5          3HG2      THR   5   2.586 -12.394   5.072
   33    H    PHE   6           H        PHE   6  -0.934 -13.863   1.493
   34    HA   PHE   6           HA       PHE   6   0.453 -12.034  -0.402
   35   1HB   PHE   6          1HB       PHE   6  -1.732 -14.012  -0.682
   36   2HB   PHE   6          2HB       PHE   6  -2.203 -12.443  -1.343
   37    HD1  PHE   6           HD1      PHE   6   0.514 -15.039  -1.364
   38    HD2  PHE   6           HD2      PHE   6  -1.273 -11.733  -3.470
   39    HE1  PHE   6           HE1      PHE   6   1.872 -15.574  -3.368
   40    HE2  PHE   6           HE2      PHE   6   0.071 -12.283  -5.472
   41    HZ   PHE   6           HZ       PHE   6   1.643 -14.204  -5.428
   42    H    ILE   7           H        ILE   7  -2.526 -12.164   1.732
   43    HA   ILE   7           HA       ILE   7  -3.470  -9.621   1.102
   44    HB   ILE   7           HB       ILE   7  -3.396 -10.909   3.881
   45   1HG1  ILE   7          1HG1      ILE   7  -4.727 -12.343   2.387
   46   2HG1  ILE   7          2HG1      ILE   7  -5.785 -11.485   3.509
   47   1HG2  ILE   7          1HG2      ILE   7  -5.306  -9.284   4.421
   48   2HG2  ILE   7          2HG2      ILE   7  -3.720  -8.518   4.225
   49   3HG2  ILE   7          3HG2      ILE   7  -4.915  -8.414   2.909
   50   1HD1  ILE   7          1HD1      ILE   7  -6.382  -9.843   1.641
   51   2HD1  ILE   7          2HD1      ILE   7  -5.388 -10.823   0.518
   52   3HD1  ILE   7          3HD1      ILE   7  -6.819 -11.532   1.293
   53    H    SER   8           H        SER   8  -0.659 -10.471   3.294
   54    HA   SER   8           HA       SER   8  -0.350  -7.832   4.250
   55   1HB   SER   8          1HB       SER   8   1.856  -9.900   3.717
   56   2HB   SER   8          2HB       SER   8   2.024  -8.405   4.691
   57    HG   SER   8           HG       SER   8   1.408 -10.278   6.034
   58    H    ASP   9           H        ASP   9   1.386  -9.378   1.352
   59    HA   ASP   9           HA       ASP   9   2.620  -6.876   0.734
   60   1HB   ASP   9          1HB       ASP   9   3.194  -7.845  -1.481
   61   2HB   ASP   9          2HB       ASP   9   3.626  -8.901  -0.112
   62    H    TYR  10           H        TYR  10  -0.506  -8.356  -0.379
   63    HA   TYR  10           HA       TYR  10  -0.999  -6.401  -2.402
   64   1HB   TYR  10          1HB       TYR  10  -2.379  -8.451  -2.283
   65   2HB   TYR  10          2HB       TYR  10  -2.951  -8.019  -0.658
   66    HD1  TYR  10           HD1      TYR  10  -3.105  -7.025  -4.263
   67    HD2  TYR  10           HD2      TYR  10  -4.674  -6.308  -0.319
   68    HE1  TYR  10           HE1      TYR  10  -4.972  -5.719  -5.234
   69    HE2  TYR  10           HE2      TYR  10  -6.518  -4.996  -1.284
   70    HH   TYR  10           HH       TYR  10  -7.602  -4.289  -3.293
   71    H    SER  11           H        SER  11  -1.854  -6.486   1.156
   72    HA   SER  11           HA       SER  11  -3.362  -4.058   1.052
   73   1HB   SER  11          1HB       SER  11  -3.510  -5.651   2.968
   74   2HB   SER  11          2HB       SER  11  -1.834  -5.264   3.451
   75    HG   SER  11           HG       SER  11  -2.648  -3.033   3.783
   76    H    ILE  12           H        ILE  12   0.159  -4.783   1.695
   77    HA   ILE  12           HA       ILE  12   0.820  -2.056   2.326
   78    HB   ILE  12           HB       ILE  12   2.527  -4.341   1.207
   79   1HG1  ILE  12          1HG1      ILE  12   2.586  -3.035   4.006
   80   2HG1  ILE  12          2HG1      ILE  12   1.528  -4.410   3.644
   81   1HG2  ILE  12          1HG2      ILE  12   4.538  -2.898   1.756
   82   2HG2  ILE  12          2HG2      ILE  12   3.555  -2.207   0.458
   83   3HG2  ILE  12          3HG2      ILE  12   3.434  -1.540   2.111
   84   1HD1  ILE  12          1HD1      ILE  12   3.557  -5.254   4.702
   85   2HD1  ILE  12          2HD1      ILE  12   3.517  -5.813   3.008
   86   3HD1  ILE  12          3HD1      ILE  12   4.605  -4.478   3.493
   87    H    ALA  13           H        ALA  13   0.721  -3.947  -0.815
   88    HA   ALA  13           HA       ALA  13   1.756  -1.823  -2.382
   89   1HB   ALA  13          1HB       ALA  13  -0.290  -3.967  -3.238
   90   2HB   ALA  13          2HB       ALA  13   0.662  -2.924  -4.334
   91   3HB   ALA  13          3HB       ALA  13   1.490  -4.129  -3.299
   92    H    MET  14           H        MET  14  -1.686  -2.677  -1.450
   93    HA   MET  14           HA       MET  14  -2.887  -0.627  -2.989
   94   1HB   MET  14          1HB       MET  14  -4.190  -2.443  -1.942
   95   2HB   MET  14          2HB       MET  14  -3.826  -1.842  -0.312
   96   1HG   MET  14          1HG       MET  14  -5.370  -0.255  -2.466
   97   2HG   MET  14          2HG       MET  14  -6.148  -1.192  -1.166
   98   1HE   MET  14          1HE       MET  14  -5.463   0.926   2.052
   99   2HE   MET  14          2HE       MET  14  -6.273  -0.511   1.352
  100   3HE   MET  14          3HE       MET  14  -4.490  -0.499   1.585
  101    H    ASP  15           H        ASP  15  -1.739  -0.616   0.507
  102    HA   ASP  15           HA       ASP  15  -2.432   2.068   0.984
  103   1HB   ASP  15          1HB       ASP  15  -1.651   0.623   2.836
  104   2HB   ASP  15          2HB       ASP  15  -0.035   0.486   2.098
  105    H    LYS  16           H        LYS  16   0.641   0.655  -0.416
  106    HA   LYS  16           HA       LYS  16   2.033   3.110  -0.510
  107   1HB   LYS  16          1HB       LYS  16   3.087   0.916  -0.792
  108   2HB   LYS  16          2HB       LYS  16   2.296   0.663  -2.366
  109   1HG   LYS  16          1HG       LYS  16   4.152   3.073  -1.880
  110   2HG   LYS  16          2HG       LYS  16   4.800   1.464  -2.283
  111   1HD   LYS  16          1HD       LYS  16   3.496   1.399  -4.409
  112   2HD   LYS  16          2HD       LYS  16   2.873   3.040  -4.102
  113   1HE   LYS  16          1HE       LYS  16   5.209   3.949  -4.104
  114   2HE   LYS  16          2HE       LYS  16   5.856   2.310  -4.396
  115   1HZ   LYS  16          1HZ       LYS  16   4.684   2.229  -6.554
  116   2HZ   LYS  16          2HZ       LYS  16   4.024   3.842  -6.273
  117    H    ILE  17           H        ILE  17  -0.184   1.588  -2.984
  118    HA   ILE  17           HA       ILE  17   0.149   3.728  -4.875
  119    HB   ILE  17           HB       ILE  17  -2.263   1.905  -4.325
  120   1HG1  ILE  17          1HG1      ILE  17  -0.224   0.711  -5.213
  121   2HG1  ILE  17          2HG1      ILE  17  -1.650   0.618  -6.265
  122   1HG2  ILE  17          1HG2      ILE  17  -1.909   3.985  -6.556
  123   2HG2  ILE  17          2HG2      ILE  17  -3.122   2.669  -6.604
  124   3HG2  ILE  17          3HG2      ILE  17  -3.199   3.907  -5.329
  125   1HD1  ILE  17          1HD1      ILE  17  -0.653   2.339  -7.801
  126   2HD1  ILE  17          2HD1      ILE  17   0.785   2.463  -6.744
  127   3HD1  ILE  17          3HD1      ILE  17   0.420   0.938  -7.581
  128    H    HIS  18           H        HIS  18  -2.191   3.221  -2.114
  129    HA   HIS  18           HA       HIS  18  -3.603   5.586  -2.685
  130   1HB   HIS  18          1HB       HIS  18  -4.392   3.720  -1.123
  131   2HB   HIS  18          2HB       HIS  18  -3.227   4.323   0.087
  132    HD1  HIS  18           HD1      HIS  18  -5.269   4.687   1.613
  133    HD2  HIS  18           HD2      HIS  18  -5.272   7.053  -1.871
  134    HE1  HIS  18           HE1      HIS  18  -6.989   6.494   1.996
  135    H    GLN  19           H        GLN  19  -0.539   5.085  -0.785
  136    HA   GLN  19           HA       GLN  19  -0.542   7.461   0.667
  137   1HB   GLN  19          1HB       GLN  19   1.803   6.004  -0.685
  138   2HB   GLN  19          2HB       GLN  19   2.036   7.491   0.259
  139   1HG   GLN  19          1HG       GLN  19   1.156   6.463   2.308
  140   2HG   GLN  19          2HG       GLN  19   0.662   5.000   1.431
  141   1HE2  GLN  19          1HE2      GLN  19   3.732   7.008   1.937
  142   2HE2  GLN  19          2HE2      GLN  19   4.736   5.618   2.101
  143    H    GLN  20           H        GLN  20  -0.015   7.027  -2.901
  144    HA   GLN  20           HA       GLN  20   0.993   9.463  -3.608
  145   1HB   GLN  20          1HB       GLN  20   0.224   7.821  -5.267
  146   2HB   GLN  20          2HB       GLN  20  -1.477   8.068  -4.811
  147   1HG   GLN  20          1HG       GLN  20   0.372  10.215  -6.039
  148   2HG   GLN  20          2HG       GLN  20  -0.800   9.247  -6.961
  149   1HE2  GLN  20          1HE2      GLN  20  -3.228   9.327  -5.909
  150   2HE2  GLN  20          2HE2      GLN  20  -3.721  10.934  -5.534
  151    H    ASP  21           H        ASP  21  -2.578   8.935  -2.738
  152    HA   ASP  21           HA       ASP  21  -3.058  11.731  -3.064
  153   1HB   ASP  21          1HB       ASP  21  -5.246  11.442  -2.281
  154   2HB   ASP  21          2HB       ASP  21  -4.877   9.917  -3.123
  155    H    PHE  22           H        PHE  22  -2.106   9.726  -0.177
  156    HA   PHE  22           HA       PHE  22  -2.818  11.766   1.693
  157   1HB   PHE  22          1HB       PHE  22  -2.439   9.335   2.303
  158   2HB   PHE  22          2HB       PHE  22  -0.690   9.578   2.078
  159    HD1  PHE  22           HD1      PHE  22  -3.691  10.627   4.053
  160    HD2  PHE  22           HD2      PHE  22   0.598  10.874   3.759
  161    HE1  PHE  22           HE1      PHE  22  -3.591  11.584   6.333
  162    HE2  PHE  22           HE2      PHE  22   0.694  11.808   6.052
  163    HZ   PHE  22           HZ       PHE  22  -1.397  12.176   7.338
  164    H    VAL  23           H        VAL  23   0.290  10.939  -0.012
  165    HA   VAL  23           HA       VAL  23   1.802  12.943   1.426
  166    HB   VAL  23           HB       VAL  23   2.372  11.523  -1.234
  167   1HG1  VAL  23          1HG1      VAL  23   4.730  12.389  -0.932
  168   2HG1  VAL  23          2HG1      VAL  23   3.561  13.702  -1.210
  169   3HG1  VAL  23          3HG1      VAL  23   4.173  13.392   0.441
  170   1HG2  VAL  23          1HG2      VAL  23   2.368  10.032   0.830
  171   2HG2  VAL  23          2HG2      VAL  23   3.997  10.198   0.127
  172   3HG2  VAL  23          3HG2      VAL  23   3.558  11.117   1.594
  173    H    ASN  24           H        ASN  24   0.121  12.795  -1.840
  174    HA   ASN  24           HA       ASN  24   0.725  15.459  -2.570
  175   1HB   ASN  24          1HB       ASN  24  -0.410  13.827  -4.085
  176   2HB   ASN  24          2HB       ASN  24  -1.885  13.914  -3.076
  177   1HD2  ASN  24          1HD2      ASN  24  -2.653  14.445  -5.467
  178   2HD2  ASN  24          2HD2      ASN  24  -2.681  16.128  -5.854
  179    H    TRP  25           H        TRP  25  -1.818  14.136  -0.311
  180    HA   TRP  25           HA       TRP  25  -3.218  16.610  -0.073
  181   1HB   TRP  25          1HB       TRP  25  -4.335  14.592   0.656
  182   2HB   TRP  25          2HB       TRP  25  -3.059  14.214   1.839
  183    HD1  TRP  25           HD1      TRP  25  -6.030  16.618   1.399
  184    HE1  TRP  25           HE1      TRP  25  -6.535  17.665   3.637
  185    HE3  TRP  25           HE3      TRP  25  -2.032  14.777   4.136
  186    HZ2  TRP  25           HZ2      TRP  25  -5.452  17.850   6.154
  187    HZ3  TRP  25           HZ3      TRP  25  -1.776  15.596   6.490
  188    HH2  TRP  25           HH2      TRP  25  -3.464  17.112   7.481
  189    H    LEU  26           H        LEU  26  -0.538  15.185   2.062
  190    HA   LEU  26           HA       LEU  26  -0.682  17.486   3.761
  191   1HB   LEU  26          1HB       LEU  26   1.322  16.808   4.875
  192   2HB   LEU  26          2HB       LEU  26   0.318  15.390   4.527
  193    HG   LEU  26           HG       LEU  26   1.920  15.157   2.392
  194   1HD1  LEU  26          1HD1      LEU  26   4.253  15.885   2.786
  195   2HD1  LEU  26          2HD1      LEU  26   3.219  17.328   2.788
  196   3HD1  LEU  26          3HD1      LEU  26   3.791  16.653   4.331
  197   1HD2  LEU  26          1HD2      LEU  26   1.743  13.452   4.170
  198   2HD2  LEU  26          2HD2      LEU  26   3.447  13.680   3.713
  199   3HD2  LEU  26          3HD2      LEU  26   2.826  14.406   5.226
  200    H    LEU  27           H        LEU  27   1.200  16.818   0.721
  201    HA   LEU  27           HA       LEU  27   2.785  19.214   0.966
  202   1HB   LEU  27          1HB       LEU  27   1.817  17.718  -1.539
  203   2HB   LEU  27          2HB       LEU  27   2.987  19.055  -1.577
  204    HG   LEU  27           HG       LEU  27   3.490  16.413  -0.061
  205   1HD1  LEU  27          1HD1      LEU  27   4.966  15.805  -1.997
  206   2HD1  LEU  27          2HD1      LEU  27   3.272  15.984  -2.519
  207   3HD1  LEU  27          3HD1      LEU  27   4.451  17.282  -2.858
  208   1HD2  LEU  27          1HD2      LEU  27   4.902  18.272   0.825
  209   2HD2  LEU  27          2HD2      LEU  27   5.896  17.159  -0.131
  210   3HD2  LEU  27          3HD2      LEU  27   5.387  18.718  -0.837
  211    H    ALA  28           H        ALA  28  -0.435  18.507  -0.608
  212    HA   ALA  28           HA       ALA  28  -0.816  21.101  -1.641
  213   1HB   ALA  28          1HB       ALA  28  -3.269  20.620  -1.551
  214   2HB   ALA  28          2HB       ALA  28  -2.368  19.209  -2.182
  215   3HB   ALA  28          3HB       ALA  28  -2.973  19.208  -0.498
  216    H    GLN  29           H        GLN  29  -1.476  19.724   1.685
  217    HA   GLN  29           HA       GLN  29  -2.111  22.518   2.607
  218   1HB   GLN  29          1HB       GLN  29  -2.648  19.822   3.977
  219   2HB   GLN  29          2HB       GLN  29  -3.119  21.450   4.549
  220   1HG   GLN  29          1HG       GLN  29  -4.458  21.741   2.371
  221   2HG   GLN  29          2HG       GLN  29  -4.116  20.030   1.990
  222   1HE2  GLN  29          1HE2      GLN  29  -6.729  20.509   2.016
  223   2HE2  GLN  29          2HE2      GLN  29  -7.474  20.055   3.504
  224    H    LYS  30           H        LYS  30   0.474  22.322   1.908
  225    HA   LYS  30           HA       LYS  30   2.515  22.798   2.769
  226   1HB   LYS  30          1HB       LYS  30   0.801  24.006   4.482
  227   2HB   LYS  30          2HB       LYS  30   1.462  22.821   5.623
  228   1HG   LYS  30          1HG       LYS  30   2.827  24.754   5.906
  229   2HG   LYS  30          2HG       LYS  30   3.830  23.688   4.887
  230   1HD   LYS  30          1HD       LYS  30   3.069  25.046   2.838
  231   2HD   LYS  30          2HD       LYS  30   2.063  26.048   3.914
  232   1HE   LYS  30          1HE       LYS  30   4.134  26.814   5.125
  233   2HE   LYS  30          2HE       LYS  30   5.134  25.799   4.048
  234   1HZ   LYS  30          1HZ       LYS  30   4.376  27.138   2.111
  235   2HZ   LYS  30          2HZ       LYS  30   3.387  28.136   3.181
  Start of MODEL    6
    1   1H    TYR   1          1H        TYR   1  -0.952 -25.286  -0.583
    2   2H    TYR   1          2H        TYR   1  -0.575 -25.307  -2.279
    3   3H    TYR   1          3H        TYR   1  -2.162 -24.819  -1.729
    4    HA   TYR   1           HA       TYR   1   0.422 -23.359  -1.110
    5   1HB   TYR   1          1HB       TYR   1  -0.297 -21.608  -2.700
    6   2HB   TYR   1          2HB       TYR   1  -0.227 -23.161  -3.547
    7    HD1  TYR   1           HD1      TYR   1  -2.501 -20.594  -2.046
    8    HD2  TYR   1           HD2      TYR   1  -2.311 -24.204  -4.385
    9    HE1  TYR   1           HE1      TYR   1  -4.890 -20.352  -2.625
   10    HE2  TYR   1           HE2      TYR   1  -4.682 -23.944  -4.985
   11    HH   TYR   1           HH       TYR   1  -6.663 -22.634  -4.721
   12    H    ALA   2           H        ALA   2  -0.176 -20.991  -0.316
   13    HA   ALA   2           HA       ALA   2  -2.814 -20.911   1.072
   14   1HB   ALA   2          1HB       ALA   2  -0.063 -20.739   2.481
   15   2HB   ALA   2          2HB       ALA   2  -1.651 -20.548   3.288
   16   3HB   ALA   2          3HB       ALA   2  -1.185 -22.129   2.601
   17    H    GLU   3           H        GLU   3  -2.872 -18.665   2.387
   18    HA   GLU   3           HA       GLU   3  -1.324 -16.595   0.859
   19   1HB   GLU   3          1HB       GLU   3  -3.430 -15.226   0.716
   20   2HB   GLU   3          2HB       GLU   3  -3.486 -16.703  -0.283
   21   1HG   GLU   3          1HG       GLU   3  -4.942 -17.837   1.368
   22   2HG   GLU   3          2HG       GLU   3  -4.782 -16.480   2.514
   23    H    GLY   4           H        GLY   4  -0.373 -17.531   3.212
   24   1HA   GLY   4          1HA       GLY   4  -1.573 -16.334   5.510
   25   2HA   GLY   4          2HA       GLY   4   0.123 -16.850   5.393
   26    H    THR   5           H        THR   5   1.540 -15.342   3.834
   27    HA   THR   5           HA       THR   5   1.003 -12.541   4.785
   28    HB   THR   5           HB       THR   5   3.639 -13.807   3.870
   29    HG1  THR   5           HG1      THR   5   2.857 -14.796   5.895
   30   1HG2  THR   5          1HG2      THR   5   3.024 -11.237   5.473
   31   2HG2  THR   5          2HG2      THR   5   4.646 -11.941   5.240
   32   3HG2  THR   5          3HG2      THR   5   3.766 -11.297   3.842
   33    H    PHE   6           H        PHE   6   0.013 -14.190   2.091
   34    HA   PHE   6           HA       PHE   6   1.199 -12.492   0.064
   35   1HB   PHE   6          1HB       PHE   6   0.206 -14.585  -0.714
   36   2HB   PHE   6          2HB       PHE   6  -1.350 -14.191   0.049
   37    HD1  PHE   6           HD1      PHE   6  -2.937 -12.676  -0.991
   38    HD2  PHE   6           HD2      PHE   6   0.993 -13.152  -2.684
   39    HE1  PHE   6           HE1      PHE   6  -3.612 -11.311  -2.939
   40    HE2  PHE   6           HE2      PHE   6   0.307 -11.800  -4.642
   41    HZ   PHE   6           HZ       PHE   6  -1.991 -10.864  -4.768
   42    H    ILE   7           H        ILE   7  -1.971 -12.540   1.922
   43    HA   ILE   7           HA       ILE   7  -3.000 -10.247   0.604
   44    HB   ILE   7           HB       ILE   7  -3.492 -11.229   3.463
   45   1HG1  ILE   7          1HG1      ILE   7  -4.292 -12.815   1.666
   46   2HG1  ILE   7          2HG1      ILE   7  -5.590 -12.171   2.686
   47   1HG2  ILE   7          1HG2      ILE   7  -5.583  -9.741   3.397
   48   2HG2  ILE   7          2HG2      ILE   7  -4.041  -8.864   3.511
   49   3HG2  ILE   7          3HG2      ILE   7  -4.890  -8.949   1.949
   50   1HD1  ILE   7          1HD1      ILE   7  -6.286 -12.285   0.315
   51   2HD1  ILE   7          2HD1      ILE   7  -6.284 -10.593   0.861
   52   3HD1  ILE   7          3HD1      ILE   7  -4.970 -11.203  -0.186
   53    H    SER   8           H        SER   8  -0.684 -10.538   3.402
   54    HA   SER   8           HA       SER   8  -0.705  -7.841   4.135
   55   1HB   SER   8          1HB       SER   8   0.697  -9.569   5.286
   56   2HB   SER   8          2HB       SER   8   1.805  -9.606   3.885
   57    HG   SER   8           HG       SER   8   2.224  -7.310   4.382
   58    H    ASP   9           H        ASP   9   1.223  -9.399   1.374
   59    HA   ASP   9           HA       ASP   9   2.423  -6.929   0.679
   60   1HB   ASP   9          1HB       ASP   9   2.991  -7.848  -1.498
   61   2HB   ASP   9          2HB       ASP   9   3.296  -9.047  -0.220
   62    H    TYR  10           H        TYR  10  -0.769  -8.387  -0.340
   63    HA   TYR  10           HA       TYR  10  -1.274  -6.398  -2.315
   64   1HB   TYR  10          1HB       TYR  10  -2.701  -8.396  -2.241
   65   2HB   TYR  10          2HB       TYR  10  -3.230  -8.024  -0.587
   66    HD1  TYR  10           HD1      TYR  10  -3.135  -6.450  -4.033
   67    HD2  TYR  10           HD2      TYR  10  -5.244  -6.758  -0.291
   68    HE1  TYR  10           HE1      TYR  10  -4.960  -5.046  -4.935
   69    HE2  TYR  10           HE2      TYR  10  -7.120  -5.488  -1.240
   70    HH   TYR  10           HH       TYR  10  -7.966  -4.327  -3.154
   71    H    SER  11           H        SER  11  -2.189  -6.511   1.244
   72    HA   SER  11           HA       SER  11  -3.533  -4.028   1.232
   73   1HB   SER  11          1HB       SER  11  -3.569  -5.555   3.220
   74   2HB   SER  11          2HB       SER  11  -1.828  -5.263   3.487
   75    HG   SER  11           HG       SER  11  -3.832  -3.210   3.640
   76    H    ILE  12           H        ILE  12   0.022  -4.787   1.630
   77    HA   ILE  12           HA       ILE  12   0.737  -2.060   2.188
   78    HB   ILE  12           HB       ILE  12   2.373  -4.351   0.984
   79   1HG1  ILE  12          1HG1      ILE  12   2.527  -2.998   3.761
   80   2HG1  ILE  12          2HG1      ILE  12   1.580  -4.466   3.450
   81   1HG2  ILE  12          1HG2      ILE  12   4.409  -2.893   1.338
   82   2HG2  ILE  12          2HG2      ILE  12   3.321  -2.199   0.138
   83   3HG2  ILE  12          3HG2      ILE  12   3.340  -1.538   1.796
   84   1HD1  ILE  12          1HD1      ILE  12   4.645  -4.245   3.217
   85   2HD1  ILE  12          2HD1      ILE  12   3.702  -5.136   4.429
   86   3HD1  ILE  12          3HD1      ILE  12   3.685  -5.674   2.725
   87    H    ALA  13           H        ALA  13   0.448  -3.962  -0.942
   88    HA   ALA  13           HA       ALA  13   1.415  -1.877  -2.571
   89   1HB   ALA  13          1HB       ALA  13   0.132  -2.902  -4.443
   90   2HB   ALA  13          2HB       ALA  13   0.944  -4.166  -3.472
   91   3HB   ALA  13          3HB       ALA  13  -0.813  -3.890  -3.294
   92    H    MET  14           H        MET  14  -2.005  -2.523  -1.381
   93    HA   MET  14           HA       MET  14  -3.148  -0.355  -2.816
   94   1HB   MET  14          1HB       MET  14  -4.000  -1.445  -0.056
   95   2HB   MET  14          2HB       MET  14  -4.899  -0.247  -1.022
   96   1HG   MET  14          1HG       MET  14  -5.092  -1.981  -2.909
   97   2HG   MET  14          2HG       MET  14  -4.327  -3.175  -1.822
   98   1HE   MET  14          1HE       MET  14  -8.634  -1.498  -1.459
   99   2HE   MET  14          2HE       MET  14  -7.278  -0.342  -1.606
  100   3HE   MET  14          3HE       MET  14  -7.612  -1.507  -2.930
  101    H    ASP  15           H        ASP  15  -1.686  -0.484   0.559
  102    HA   ASP  15           HA       ASP  15  -2.208   2.226   1.144
  103   1HB   ASP  15          1HB       ASP  15  -1.319   0.703   2.890
  104   2HB   ASP  15          2HB       ASP  15   0.219   0.531   2.008
  105    H    LYS  16           H        LYS  16   0.652   0.697  -0.548
  106    HA   LYS  16           HA       LYS  16   2.137   3.070  -0.672
  107   1HB   LYS  16          1HB       LYS  16   2.948   0.666  -1.281
  108   2HB   LYS  16          2HB       LYS  16   2.112   0.879  -2.836
  109   1HG   LYS  16          1HG       LYS  16   4.423   1.377  -3.247
  110   2HG   LYS  16          2HG       LYS  16   3.629   2.972  -3.205
  111   1HD   LYS  16          1HD       LYS  16   4.455   3.266  -0.804
  112   2HD   LYS  16          2HD       LYS  16   5.192   1.645  -0.878
  113   1HE   LYS  16          1HE       LYS  16   5.933   4.060  -2.638
  114   2HE   LYS  16          2HE       LYS  16   6.886   3.436  -1.259
  115   1HZ   LYS  16          1HZ       LYS  16   7.749   2.634  -3.466
  116   2HZ   LYS  16          2HZ       LYS  16   7.168   1.282  -2.500
  117    H    ILE  17           H        ILE  17  -0.379   1.761  -2.960
  118    HA   ILE  17           HA       ILE  17  -0.033   3.915  -4.858
  119    HB   ILE  17           HB       ILE  17  -2.483   2.167  -4.239
  120   1HG1  ILE  17          1HG1      ILE  17  -0.533   0.889  -5.193
  121   2HG1  ILE  17          2HG1      ILE  17  -1.983   0.879  -6.216
  122   1HG2  ILE  17          1HG2      ILE  17  -2.105   4.246  -6.467
  123   2HG2  ILE  17          2HG2      ILE  17  -3.376   2.987  -6.484
  124   3HG2  ILE  17          3HG2      ILE  17  -3.358   4.218  -5.202
  125   1HD1  ILE  17          1HD1      ILE  17   0.532   2.606  -6.720
  126   2HD1  ILE  17          2HD1      ILE  17   0.071   1.115  -7.572
  127   3HD1  ILE  17          3HD1      ILE  17  -0.932   2.572  -7.751
  128    H    HIS  18           H        HIS  18  -2.259   3.418  -1.999
  129    HA   HIS  18           HA       HIS  18  -3.645   5.816  -2.416
  130   1HB   HIS  18          1HB       HIS  18  -4.327   3.983  -0.768
  131   2HB   HIS  18          2HB       HIS  18  -3.008   4.532   0.303
  132    HD1  HIS  18           HD1      HIS  18  -4.786   5.010   2.083
  133    HD2  HIS  18           HD2      HIS  18  -5.210   7.299  -1.423
  134    HE1  HIS  18           HE1      HIS  18  -6.390   6.880   2.657
  135    H    GLN  19           H        GLN  19  -0.444   5.228  -0.800
  136    HA   GLN  19           HA       GLN  19  -0.256   7.678   0.553
  137   1HB   GLN  19          1HB       GLN  19   1.943   6.024  -0.807
  138   2HB   GLN  19          2HB       GLN  19   2.292   7.521   0.089
  139   1HG   GLN  19          1HG       GLN  19   1.314   6.619   2.165
  140   2HG   GLN  19          2HG       GLN  19   0.902   5.088   1.352
  141   1HE2  GLN  19          1HE2      GLN  19   2.433   4.829   3.605
  142   2HE2  GLN  19          2HE2      GLN  19   4.069   4.480   3.180
  143    H    GLN  20           H        GLN  20   0.067   7.035  -3.021
  144    HA   GLN  20           HA       GLN  20   1.241   9.445  -3.766
  145   1HB   GLN  20          1HB       GLN  20   0.511   7.777  -5.428
  146   2HB   GLN  20          2HB       GLN  20  -1.201   8.064  -5.051
  147   1HG   GLN  20          1HG       GLN  20   0.735  10.161  -6.228
  148   2HG   GLN  20          2HG       GLN  20  -0.432   9.210  -7.177
  149   1HE2  GLN  20          1HE2      GLN  20  -2.888   9.359  -6.206
  150   2HE2  GLN  20          2HE2      GLN  20  -3.354  10.980  -5.854
  151    H    ASP  21           H        ASP  21  -2.321   8.902  -2.998
  152    HA   ASP  21           HA       ASP  21  -2.894  11.697  -3.319
  153   1HB   ASP  21          1HB       ASP  21  -4.675   9.941  -3.460
  154   2HB   ASP  21          2HB       ASP  21  -4.471   9.603  -1.719
  155    H    PHE  22           H        PHE  22  -2.246   9.634  -0.317
  156    HA   PHE  22           HA       PHE  22  -2.927  11.751   1.438
  157   1HB   PHE  22          1HB       PHE  22  -2.614   9.346   2.181
  158   2HB   PHE  22          2HB       PHE  22  -0.854   9.552   2.008
  159    HD1  PHE  22           HD1      PHE  22   0.394  10.709   3.780
  160    HD2  PHE  22           HD2      PHE  22  -3.908  10.886   3.752
  161    HE1  PHE  22           HE1      PHE  22   0.414  11.735   6.035
  162    HE2  PHE  22           HE2      PHE  22  -3.877  11.974   5.974
  163    HZ   PHE  22           HZ       PHE  22  -1.715  12.409   7.116
  164    H    VAL  23           H        VAL  23   0.224  10.889  -0.132
  165    HA   VAL  23           HA       VAL  23   1.736  12.855   1.312
  166    HB   VAL  23           HB       VAL  23   2.272  11.506  -1.381
  167   1HG1  VAL  23          1HG1      VAL  23   4.623  12.426  -1.137
  168   2HG1  VAL  23          2HG1      VAL  23   3.414  13.699  -1.421
  169   3HG1  VAL  23          3HG1      VAL  23   4.062  13.439   0.226
  170   1HG2  VAL  23          1HG2      VAL  23   3.595  11.150   1.395
  171   2HG2  VAL  23          2HG2      VAL  23   2.368  10.043   0.734
  172   3HG2  VAL  23          3HG2      VAL  23   3.946  10.203  -0.078
  173    H    ASN  24           H        ASN  24   0.004  12.856  -1.934
  174    HA   ASN  24           HA       ASN  24   0.677  15.523  -2.579
  175   1HB   ASN  24          1HB       ASN  24  -0.514  13.965  -4.140
  176   2HB   ASN  24          2HB       ASN  24  -1.990  14.092  -3.141
  177   1HD2  ASN  24          1HD2      ASN  24  -2.684  14.717  -5.543
  178   2HD2  ASN  24          2HD2      ASN  24  -2.652  16.411  -5.869
  179    H    TRP  25           H        TRP  25  -1.922  14.208  -0.380
  180    HA   TRP  25           HA       TRP  25  -3.247  16.705  -0.049
  181   1HB   TRP  25          1HB       TRP  25  -4.400  14.680   0.594
  182   2HB   TRP  25          2HB       TRP  25  -3.146  14.234   1.774
  183    HD1  TRP  25           HD1      TRP  25  -6.059  16.721   1.392
  184    HE1  TRP  25           HE1      TRP  25  -6.560  17.705   3.660
  185    HE3  TRP  25           HE3      TRP  25  -2.170  14.646   4.124
  186    HZ2  TRP  25           HZ2      TRP  25  -5.450  17.857   6.161
  187    HZ3  TRP  25           HZ3      TRP  25  -1.911  15.392   6.500
  188    HH2  TRP  25           HH2      TRP  25  -3.526  16.978   7.500
  189    H    LEU  26           H        LEU  26  -0.695  15.125   2.120
  190    HA   LEU  26           HA       LEU  26  -0.735  17.380   3.861
  191   1HB   LEU  26          1HB       LEU  26   1.314  16.590   4.911
  192   2HB   LEU  26          2HB       LEU  26   0.168  15.271   4.620
  193    HG   LEU  26           HG       LEU  26   1.644  14.909   2.403
  194   1HD1  LEU  26          1HD1      LEU  26   3.186  16.887   2.766
  195   2HD1  LEU  26          2HD1      LEU  26   3.745  16.119   4.279
  196   3HD1  LEU  26          3HD1      LEU  26   4.054  15.342   2.702
  197   1HD2  LEU  26          1HD2      LEU  26   3.055  13.243   3.656
  198   2HD2  LEU  26          2HD2      LEU  26   2.530  13.993   5.193
  199   3HD2  LEU  26          3HD2      LEU  26   1.340  13.186   4.127
  200    H    LEU  27           H        LEU  27   1.168  16.780   0.820
  201    HA   LEU  27           HA       LEU  27   2.840  19.104   1.229
  202   1HB   LEU  27          1HB       LEU  27   1.885  17.778  -1.380
  203   2HB   LEU  27          2HB       LEU  27   3.106  19.068  -1.310
  204    HG   LEU  27           HG       LEU  27   3.458  16.312   0.036
  205   1HD1  LEU  27          1HD1      LEU  27   4.570  17.351  -2.643
  206   2HD1  LEU  27          2HD1      LEU  27   4.977  15.786  -1.883
  207   3HD1  LEU  27          3HD1      LEU  27   3.318  16.091  -2.459
  208   1HD2  LEU  27          1HD2      LEU  27   5.466  18.594  -0.485
  209   2HD2  LEU  27          2HD2      LEU  27   4.905  18.040   1.119
  210   3HD2  LEU  27          3HD2      LEU  27   5.892  16.967   0.112
  211    H    ALA  28           H        ALA  28  -0.338  18.567  -0.485
  212    HA   ALA  28           HA       ALA  28  -0.577  21.214  -1.422
  213   1HB   ALA  28          1HB       ALA  28  -2.121  19.395  -2.164
  214   2HB   ALA  28          2HB       ALA  28  -2.837  19.310  -0.528
  215   3HB   ALA  28          3HB       ALA  28  -3.049  20.782  -1.519
  216    H    GLN  29           H        GLN  29  -1.451  19.764   1.827
  217    HA   GLN  29           HA       GLN  29  -2.337  22.511   2.685
  218   1HB   GLN  29          1HB       GLN  29  -3.025  19.761   3.862
  219   2HB   GLN  29          2HB       GLN  29  -3.625  21.357   4.405
  220   1HG   GLN  29          1HG       GLN  29  -4.616  21.715   2.073
  221   2HG   GLN  29          2HG       GLN  29  -4.141  20.043   1.658
  222   1HE2  GLN  29          1HE2      GLN  29  -6.744  20.418   1.291
  223   2HE2  GLN  29          2HE2      GLN  29  -7.686  19.829   2.611
  224    H    LYS  30           H        LYS  30   0.357  22.473   2.529
  225    HA   LYS  30           HA       LYS  30   0.823  22.992   5.341
  226   1HB   LYS  30          1HB       LYS  30   1.436  20.483   5.117
  227   2HB   LYS  30          2HB       LYS  30   2.718  21.002   3.976
  228   1HG   LYS  30          1HG       LYS  30   3.770  22.362   5.829
  229   2HG   LYS  30          2HG       LYS  30   2.409  21.953   6.902
  230   1HD   LYS  30          1HD       LYS  30   4.342  20.645   7.512
  231   2HD   LYS  30          2HD       LYS  30   3.099  19.531   6.895
  232   1HE   LYS  30          1HE       LYS  30   5.277  20.572   4.991
  233   2HE   LYS  30          2HE       LYS  30   5.667  19.282   6.158
  234   1HZ   LYS  30          1HZ       LYS  30   3.282  18.784   4.398
  235   2HZ   LYS  30          2HZ       LYS  30   4.954  18.433   3.910
  Start of MODEL    7
    1   1H    TYR   1          1H        TYR   1   0.476 -19.000  -5.789
    2   2H    TYR   1          2H        TYR   1   0.651 -18.178  -7.307
    3   3H    TYR   1          3H        TYR   1  -0.336 -17.488  -6.045
    4    HA   TYR   1           HA       TYR   1   2.669 -17.892  -5.908
    5   1HB   TYR   1          1HB       TYR   1   0.979 -15.410  -6.524
    6   2HB   TYR   1          2HB       TYR   1   2.584 -15.269  -5.780
    7    HD1  TYR   1           HD1      TYR   1   4.628 -16.158  -6.861
    8    HD2  TYR   1           HD2      TYR   1   0.866 -16.065  -8.948
    9    HE1  TYR   1           HE1      TYR   1   5.807 -16.487  -9.004
   10    HE2  TYR   1           HE2      TYR   1   2.042 -16.421 -11.083
   11    HH   TYR   1           HH       TYR   1   4.149 -16.806 -12.148
   12    H    ALA   2           H        ALA   2   2.392 -19.041  -3.846
   13    HA   ALA   2           HA       ALA   2   2.311 -19.050  -1.525
   14   1HB   ALA   2          1HB       ALA   2   4.224 -17.521  -2.011
   15   2HB   ALA   2          2HB       ALA   2   3.126 -16.113  -2.003
   16   3HB   ALA   2          3HB       ALA   2   3.377 -17.057  -0.506
   17    H    GLU   3           H        GLU   3  -0.196 -19.295  -2.028
   18    HA   GLU   3           HA       GLU   3  -1.809 -16.986  -1.204
   19   1HB   GLU   3          1HB       GLU   3  -2.526 -19.969  -1.382
   20   2HB   GLU   3          2HB       GLU   3  -3.663 -18.649  -0.987
   21   1HG   GLU   3          1HG       GLU   3  -3.213 -17.569  -3.212
   22   2HG   GLU   3          2HG       GLU   3  -2.073 -18.871  -3.629
   23    H    GLY   4           H        GLY   4  -0.434 -16.420   0.708
   24   1HA   GLY   4          1HA       GLY   4  -1.424 -17.712   3.151
   25   2HA   GLY   4          2HA       GLY   4   0.296 -18.047   2.802
   26    H    THR   5           H        THR   5   1.601 -15.909   2.097
   27    HA   THR   5           HA       THR   5   0.702 -13.634   3.865
   28    HB   THR   5           HB       THR   5   3.539 -14.349   2.900
   29    HG1  THR   5           HG1      THR   5   2.721 -15.890   4.525
   30   1HG2  THR   5          1HG2      THR   5   2.516 -12.318   4.992
   31   2HG2  THR   5          2HG2      THR   5   4.221 -12.791   4.753
   32   3HG2  THR   5          3HG2      THR   5   3.367 -11.910   3.472
   33    H    PHE   6           H        PHE   6  -0.660 -14.055   1.431
   34    HA   PHE   6           HA       PHE   6   0.711 -12.326  -0.545
   35   1HB   PHE   6          1HB       PHE   6  -0.493 -14.352  -1.368
   36   2HB   PHE   6          2HB       PHE   6  -2.024 -13.707  -0.741
   37    HD1  PHE   6           HD1      PHE   6  -3.090 -11.746  -1.858
   38    HD2  PHE   6           HD2      PHE   6   0.735 -13.191  -3.207
   39    HE1  PHE   6           HE1      PHE   6  -3.274 -10.349  -3.892
   40    HE2  PHE   6           HE2      PHE   6   0.553 -11.777  -5.229
   41    HZ   PHE   6           HZ       PHE   6  -1.449 -10.350  -5.575
   42    H    ILE   7           H        ILE   7  -2.351 -12.432   1.487
   43    HA   ILE   7           HA       ILE   7  -3.356  -9.964   0.609
   44    HB   ILE   7           HB       ILE   7  -3.525 -11.148   3.435
   45   1HG1  ILE   7          1HG1      ILE   7  -4.616 -12.697   1.850
   46   2HG1  ILE   7          2HG1      ILE   7  -5.818 -11.878   2.851
   47   1HG2  ILE   7          1HG2      ILE   7  -5.552  -9.603   3.700
   48   2HG2  ILE   7          2HG2      ILE   7  -3.989  -8.766   3.634
   49   3HG2  ILE   7          3HG2      ILE   7  -5.044  -8.774   2.200
   50   1HD1  ILE   7          1HD1      ILE   7  -5.185 -11.243  -0.105
   51   2HD1  ILE   7          2HD1      ILE   7  -6.629 -12.046   0.545
   52   3HD1  ILE   7          3HD1      ILE   7  -6.348 -10.323   0.900
   53    H    SER   8           H        SER   8  -0.791 -10.698   3.104
   54    HA   SER   8           HA       SER   8  -0.572  -8.086   4.097
   55   1HB   SER   8          1HB       SER   8   0.721 -10.002   5.025
   56   2HB   SER   8          2HB       SER   8   1.744 -10.040   3.563
   57    HG   SER   8           HG       SER   8   2.422  -7.837   4.207
   58    H    ASP   9           H        ASP   9   1.183  -9.519   1.155
   59    HA   ASP   9           HA       ASP   9   2.460  -7.027   0.641
   60   1HB   ASP   9          1HB       ASP   9   3.029  -7.833  -1.588
   61   2HB   ASP   9          2HB       ASP   9   3.328  -9.090  -0.361
   62    H    TYR  10           H        TYR  10  -0.754  -8.372  -0.484
   63    HA   TYR  10           HA       TYR  10  -1.243  -6.284  -2.344
   64   1HB   TYR  10          1HB       TYR  10  -2.829  -8.139  -2.332
   65   2HB   TYR  10          2HB       TYR  10  -3.200  -7.894  -0.613
   66    HD1  TYR  10           HD1      TYR  10  -4.830  -6.264   0.114
   67    HD2  TYR  10           HD2      TYR  10  -3.513  -6.271  -3.985
   68    HE1  TYR  10           HE1      TYR  10  -6.535  -4.566  -0.441
   69    HE2  TYR  10           HE2      TYR  10  -5.220  -4.581  -4.537
   70    HH   TYR  10           HH       TYR  10  -6.975  -3.190  -3.705
   71    H    SER  11           H        SER  11  -2.021  -6.490   1.240
   72    HA   SER  11           HA       SER  11  -3.364  -3.996   1.296
   73   1HB   SER  11          1HB       SER  11  -3.488  -5.633   3.170
   74   2HB   SER  11          2HB       SER  11  -1.758  -5.351   3.548
   75    HG   SER  11           HG       SER  11  -3.198  -3.950   4.839
   76    H    ILE  12           H        ILE  12   0.162  -4.820   1.771
   77    HA   ILE  12           HA       ILE  12   0.865  -2.120   2.513
   78    HB   ILE  12           HB       ILE  12   2.559  -4.376   1.308
   79   1HG1  ILE  12          1HG1      ILE  12   2.504  -3.216   4.175
   80   2HG1  ILE  12          2HG1      ILE  12   1.578  -4.649   3.689
   81   1HG2  ILE  12          1HG2      ILE  12   3.572  -2.169   0.684
   82   2HG2  ILE  12          2HG2      ILE  12   3.484  -1.641   2.389
   83   3HG2  ILE  12          3HG2      ILE  12   4.571  -2.972   1.899
   84   1HD1  ILE  12          1HD1      ILE  12   4.650  -4.441   3.718
   85   2HD1  ILE  12          2HD1      ILE  12   3.607  -5.423   4.766
   86   3HD1  ILE  12          3HD1      ILE  12   3.732  -5.814   3.028
   87    H    ALA  13           H        ALA  13   0.940  -3.943  -0.668
   88    HA   ALA  13           HA       ALA  13   1.880  -1.765  -2.190
   89   1HB   ALA  13          1HB       ALA  13   1.669  -4.073  -3.139
   90   2HB   ALA  13          2HB       ALA  13  -0.115  -3.951  -3.070
   91   3HB   ALA  13          3HB       ALA  13   0.813  -2.883  -4.164
   92    H    MET  14           H        MET  14  -1.500  -2.606  -1.107
   93    HA   MET  14           HA       MET  14  -2.766  -0.688  -2.783
   94   1HB   MET  14          1HB       MET  14  -3.904  -2.594  -1.463
   95   2HB   MET  14          2HB       MET  14  -3.805  -1.561  -0.019
   96   1HG   MET  14          1HG       MET  14  -5.265  -0.966  -2.686
   97   2HG   MET  14          2HG       MET  14  -6.049  -1.404  -1.146
   98   1HE   MET  14          1HE       MET  14  -4.726   0.427   1.137
   99   2HE   MET  14          2HE       MET  14  -5.748   1.889   0.962
  100   3HE   MET  14          3HE       MET  14  -6.491   0.262   0.836
  101    H    ASP  15           H        ASP  15  -1.492  -0.531   0.665
  102    HA   ASP  15           HA       ASP  15  -2.139   2.211   1.017
  103   1HB   ASP  15          1HB       ASP  15  -1.374   0.763   2.905
  104   2HB   ASP  15          2HB       ASP  15   0.259   0.671   2.196
  105    H    LYS  16           H        LYS  16   0.784   0.611  -0.516
  106    HA   LYS  16           HA       LYS  16   2.266   3.018  -0.746
  107   1HB   LYS  16          1HB       LYS  16   3.156   0.677  -1.126
  108   2HB   LYS  16          2HB       LYS  16   2.347   0.669  -2.721
  109   1HG   LYS  16          1HG       LYS  16   3.692   2.766  -3.329
  110   2HG   LYS  16          2HG       LYS  16   4.559   2.610  -1.780
  111   1HD   LYS  16          1HD       LYS  16   4.546   0.572  -4.106
  112   2HD   LYS  16          2HD       LYS  16   5.873   1.682  -3.673
  113   1HE   LYS  16          1HE       LYS  16   6.048   0.517  -1.410
  114   2HE   LYS  16          2HE       LYS  16   4.886  -0.714  -2.001
  115   1HZ   LYS  16          1HZ       LYS  16   7.258  -1.402  -2.343
  116   2HZ   LYS  16          2HZ       LYS  16   6.448  -1.197  -3.890
  117    H    ILE  17           H        ILE  17  -0.380   1.606  -2.794
  118    HA   ILE  17           HA       ILE  17  -0.013   3.593  -4.905
  119    HB   ILE  17           HB       ILE  17  -2.380   1.776  -4.186
  120   1HG1  ILE  17          1HG1      ILE  17  -0.448   1.649  -6.589
  121   2HG1  ILE  17          2HG1      ILE  17  -0.165   0.749  -5.086
  122   1HG2  ILE  17          1HG2      ILE  17  -3.376   2.467  -6.392
  123   2HG2  ILE  17          2HG2      ILE  17  -3.245   3.844  -5.290
  124   3HG2  ILE  17          3HG2      ILE  17  -2.055   3.651  -6.608
  125   1HD1  ILE  17          1HD1      ILE  17  -1.207  -0.764  -6.676
  126   2HD1  ILE  17          2HD1      ILE  17  -2.373  -0.447  -5.366
  127   3HD1  ILE  17          3HD1      ILE  17  -2.573   0.336  -6.961
  128    H    HIS  18           H        HIS  18  -2.304   3.188  -2.065
  129    HA   HIS  18           HA       HIS  18  -3.753   5.488  -2.749
  130   1HB   HIS  18          1HB       HIS  18  -4.577   3.707  -1.164
  131   2HB   HIS  18          2HB       HIS  18  -3.416   4.289   0.057
  132    HD1  HIS  18           HD1      HIS  18  -5.505   4.682   1.533
  133    HD2  HIS  18           HD2      HIS  18  -5.330   7.086  -1.920
  134    HE1  HIS  18           HE1      HIS  18  -7.177   6.542   1.890
  135    H    GLN  19           H        GLN  19  -0.997   5.099  -0.360
  136    HA   GLN  19           HA       GLN  19  -1.123   7.533   0.828
  137   1HB   GLN  19          1HB       GLN  19   1.290   7.515   1.275
  138   2HB   GLN  19          2HB       GLN  19   0.617   5.875   1.430
  139   1HG   GLN  19          1HG       GLN  19   2.739   5.690   0.235
  140   2HG   GLN  19          2HG       GLN  19   1.404   5.364  -0.894
  141   1HE2  GLN  19          1HE2      GLN  19   2.715   5.926  -2.826
  142   2HE2  GLN  19          2HE2      GLN  19   3.220   7.553  -3.093
  143    H    GLN  20           H        GLN  20  -0.132   7.052  -2.623
  144    HA   GLN  20           HA       GLN  20   1.094   9.425  -3.207
  145   1HB   GLN  20          1HB       GLN  20   0.285   7.802  -4.973
  146   2HB   GLN  20          2HB       GLN  20  -1.385   8.313  -4.655
  147   1HG   GLN  20          1HG       GLN  20  -0.500  10.774  -5.289
  148   2HG   GLN  20          2HG       GLN  20   0.906   9.917  -5.947
  149   1HE2  GLN  20          1HE2      GLN  20  -2.761  10.029  -5.998
  150   2HE2  GLN  20          2HE2      GLN  20  -2.900   9.551  -7.650
  151    H    ASP  21           H        ASP  21  -2.555   9.039  -2.663
  152    HA   ASP  21           HA       ASP  21  -2.984  11.823  -3.035
  153   1HB   ASP  21          1HB       ASP  21  -5.202  11.554  -2.234
  154   2HB   ASP  21          2HB       ASP  21  -4.825  10.066  -3.140
  155    H    PHE  22           H        PHE  22  -2.190   9.839  -0.094
  156    HA   PHE  22           HA       PHE  22  -2.899  11.883   1.752
  157   1HB   PHE  22          1HB       PHE  22  -2.528   9.417   2.313
  158   2HB   PHE  22          2HB       PHE  22  -0.777   9.697   2.199
  159    HD1  PHE  22           HD1      PHE  22  -3.919  10.604   4.007
  160    HD2  PHE  22           HD2      PHE  22   0.366  11.018   3.984
  161    HE1  PHE  22           HE1      PHE  22  -3.989  11.438   6.333
  162    HE2  PHE  22           HE2      PHE  22   0.291  11.844   6.317
  163    HZ   PHE  22           HZ       PHE  22  -1.884  12.046   7.500
  164    H    VAL  23           H        VAL  23   0.269  11.026   0.143
  165    HA   VAL  23           HA       VAL  23   1.703  13.076   1.619
  166    HB   VAL  23           HB       VAL  23   2.452  11.533  -0.923
  167   1HG1  VAL  23          1HG1      VAL  23   4.785  12.427  -0.501
  168   2HG1  VAL  23          2HG1      VAL  23   3.637  13.718  -0.928
  169   3HG1  VAL  23          3HG1      VAL  23   4.132  13.495   0.776
  170   1HG2  VAL  23          1HG2      VAL  23   2.305  10.147   1.204
  171   2HG2  VAL  23          2HG2      VAL  23   3.985  10.295   0.624
  172   3HG2  VAL  23          3HG2      VAL  23   3.426  11.281   2.003
  173    H    ASN  24           H        ASN  24   0.242  12.811  -1.745
  174    HA   ASN  24           HA       ASN  24   0.903  15.424  -2.552
  175   1HB   ASN  24          1HB       ASN  24  -0.231  13.736  -4.033
  176   2HB   ASN  24          2HB       ASN  24  -1.733  13.943  -3.088
  177   1HD2  ASN  24          1HD2      ASN  24  -2.332  14.374  -5.571
  178   2HD2  ASN  24          2HD2      ASN  24  -2.288  16.039  -6.024
  179    H    TRP  25           H        TRP  25  -1.751  14.226  -0.369
  180    HA   TRP  25           HA       TRP  25  -3.147  16.702  -0.273
  181   1HB   TRP  25          1HB       TRP  25  -4.304  14.708   0.452
  182   2HB   TRP  25          2HB       TRP  25  -3.091  14.358   1.706
  183    HD1  TRP  25           HD1      TRP  25  -6.096  16.654   1.097
  184    HE1  TRP  25           HE1      TRP  25  -6.713  17.743   3.286
  185    HE3  TRP  25           HE3      TRP  25  -2.083  15.107   3.984
  186    HZ2  TRP  25           HZ2      TRP  25  -5.735  18.012   5.841
  187    HZ3  TRP  25           HZ3      TRP  25  -1.948  15.981   6.330
  188    HH2  TRP  25           HH2      TRP  25  -3.753  17.408   7.242
  189    H    LEU  26           H        LEU  26  -0.464  15.413   1.939
  190    HA   LEU  26           HA       LEU  26  -0.682  17.833   3.519
  191   1HB   LEU  26          1HB       LEU  26   1.259  17.209   4.751
  192   2HB   LEU  26          2HB       LEU  26   0.246  15.785   4.469
  193    HG   LEU  26           HG       LEU  26   1.933  15.349   2.438
  194   1HD1  LEU  26          1HD1      LEU  26   3.226  17.534   2.651
  195   2HD1  LEU  26          2HD1      LEU  26   3.737  17.030   4.278
  196   3HD1  LEU  26          3HD1      LEU  26   4.257  16.103   2.844
  197   1HD2  LEU  26          1HD2      LEU  26   1.684  13.819   4.375
  198   2HD2  LEU  26          2HD2      LEU  26   3.401  13.997   3.944
  199   3HD2  LEU  26          3HD2      LEU  26   2.743  14.871   5.358
  200    H    LEU  27           H        LEU  27   1.211  16.915   0.560
  201    HA   LEU  27           HA       LEU  27   2.780  19.349   0.624
  202   1HB   LEU  27          1HB       LEU  27   1.937  17.604  -1.748
  203   2HB   LEU  27          2HB       LEU  27   3.112  18.932  -1.855
  204    HG   LEU  27           HG       LEU  27   3.533  16.436  -0.087
  205   1HD1  LEU  27          1HD1      LEU  27   3.491  15.830  -2.524
  206   2HD1  LEU  27          2HD1      LEU  27   4.692  17.106  -2.866
  207   3HD1  LEU  27          3HD1      LEU  27   5.141  15.697  -1.863
  208   1HD2  LEU  27          1HD2      LEU  27   5.454  18.708  -0.895
  209   2HD2  LEU  27          2HD2      LEU  27   4.870  18.365   0.760
  210   3HD2  LEU  27          3HD2      LEU  27   5.935  17.208  -0.055
  211    H    ALA  28           H        ALA  28  -0.599  18.600  -0.426
  212    HA   ALA  28           HA       ALA  28  -0.866  21.184  -1.752
  213   1HB   ALA  28          1HB       ALA  28  -3.052  19.346  -0.592
  214   2HB   ALA  28          2HB       ALA  28  -3.300  20.754  -1.659
  215   3HB   ALA  28          3HB       ALA  28  -2.434  19.312  -2.268
  216    H    GLN  29           H        GLN  29  -1.645  19.792   1.558
  217    HA   GLN  29           HA       GLN  29  -2.235  22.577   2.514
  218   1HB   GLN  29          1HB       GLN  29  -2.928  19.847   3.757
  219   2HB   GLN  29          2HB       GLN  29  -3.360  21.470   4.373
  220   1HG   GLN  29          1HG       GLN  29  -4.601  21.886   2.157
  221   2HG   GLN  29          2HG       GLN  29  -4.277  20.186   1.714
  222   1HE2  GLN  29          1HE2      GLN  29  -6.858  20.587   1.620
  223   2HE2  GLN  29          2HE2      GLN  29  -7.684  20.139   3.066
  224    H    LYS  30           H        LYS  30   0.196  22.936   2.358
  225    HA   LYS  30           HA       LYS  30   1.879  21.397   4.215
  226   1HB   LYS  30          1HB       LYS  30   2.353  24.049   2.741
  227   2HB   LYS  30          2HB       LYS  30   3.577  23.214   3.735
  228   1HG   LYS  30          1HG       LYS  30   3.666  21.300   2.238
  229   2HG   LYS  30          2HG       LYS  30   2.149  21.765   1.448
  230   1HD   LYS  30          1HD       LYS  30   4.024  22.214  -0.067
  231   2HD   LYS  30          2HD       LYS  30   3.204  23.733   0.373
  232   1HE   LYS  30          1HE       LYS  30   5.700  23.984   0.385
  233   2HE   LYS  30          2HE       LYS  30   5.019  24.270   2.006
  234   1HZ   LYS  30          1HZ       LYS  30   6.266  21.650   1.081
  235   2HZ   LYS  30          2HZ       LYS  30   6.987  22.816   2.183
  Start of MODEL    8
    1   1H    TYR   1          1H        TYR   1   2.942 -23.115  -0.227
    2   2H    TYR   1          2H        TYR   1   2.476 -22.147   1.147
    3   3H    TYR   1          3H        TYR   1   2.533 -21.442  -0.443
    4    HA   TYR   1           HA       TYR   1   0.704 -22.901  -1.192
    5   1HB   TYR   1          1HB       TYR   1   0.641 -23.780   1.768
    6   2HB   TYR   1          2HB       TYR   1  -0.665 -24.100   0.613
    7    HD1  TYR   1           HD1      TYR   1   2.752 -25.103   1.624
    8    HD2  TYR   1           HD2      TYR   1  -0.304 -25.582  -1.367
    9    HE1  TYR   1           HE1      TYR   1   3.830 -27.189   0.846
   10    HE2  TYR   1           HE2      TYR   1   0.754 -27.674  -2.121
   11    HH   TYR   1           HH       TYR   1   2.510 -29.252  -1.749
   12    H    ALA   2           H        ALA   2  -1.562 -22.130  -0.977
   13    HA   ALA   2           HA       ALA   2  -3.181 -20.598  -0.451
   14   1HB   ALA   2          1HB       ALA   2  -1.865 -20.640   2.335
   15   2HB   ALA   2          2HB       ALA   2  -3.561 -20.244   1.964
   16   3HB   ALA   2          3HB       ALA   2  -2.961 -21.902   1.703
   17    H    GLU   3           H        GLU   3  -3.722 -18.333   0.478
   18    HA   GLU   3           HA       GLU   3  -1.461 -16.472  -0.218
   19   1HB   GLU   3          1HB       GLU   3  -4.509 -16.080  -0.091
   20   2HB   GLU   3          2HB       GLU   3  -3.333 -14.774  -0.357
   21   1HG   GLU   3          1HG       GLU   3  -2.486 -15.930  -2.428
   22   2HG   GLU   3          2HG       GLU   3  -3.671 -17.241  -2.175
   23    H    GLY   4           H        GLY   4  -0.664 -17.434   2.055
   24   1HA   GLY   4          1HA       GLY   4  -2.158 -16.528   4.372
   25   2HA   GLY   4          2HA       GLY   4  -0.487 -17.113   4.375
   26    H    THR   5           H        THR   5   1.276 -15.559   3.681
   27    HA   THR   5           HA       THR   5   0.656 -12.912   4.757
   28    HB   THR   5           HB       THR   5   2.812 -14.131   5.217
   29    HG1  THR   5           HG1      THR   5   3.028 -11.472   4.187
   30   1HG2  THR   5          1HG2      THR   5   3.422 -14.897   2.873
   31   2HG2  THR   5          2HG2      THR   5   3.587 -13.192   2.369
   32   3HG2  THR   5          3HG2      THR   5   4.689 -13.870   3.597
   33    H    PHE   6           H        PHE   6   0.203 -14.183   1.566
   34    HA   PHE   6           HA       PHE   6   1.176 -11.951   0.078
   35   1HB   PHE   6          1HB       PHE   6  -1.098 -13.934  -0.468
   36   2HB   PHE   6          2HB       PHE   6  -0.811 -12.555  -1.538
   37    HD1  PHE   6           HD1      PHE   6   0.874 -15.642  -0.144
   38    HD2  PHE   6           HD2      PHE   6   0.968 -12.549  -3.144
   39    HE1  PHE   6           HE1      PHE   6   2.660 -16.845  -1.334
   40    HE2  PHE   6           HE2      PHE   6   2.742 -13.774  -4.341
   41    HZ   PHE   6           HZ       PHE   6   3.597 -15.926  -3.443
   42    H    ILE   7           H        ILE   7  -1.834 -12.449   2.039
   43    HA   ILE   7           HA       ILE   7  -3.246 -10.214   1.034
   44    HB   ILE   7           HB       ILE   7  -3.159 -11.374   3.866
   45   1HG1  ILE   7          1HG1      ILE   7  -5.367 -11.484   1.698
   46   2HG1  ILE   7          2HG1      ILE   7  -4.151 -12.759   1.913
   47   1HG2  ILE   7          1HG2      ILE   7  -5.212  -9.968   4.359
   48   2HG2  ILE   7          2HG2      ILE   7  -3.792  -8.964   4.064
   49   3HG2  ILE   7          3HG2      ILE   7  -5.016  -9.163   2.777
   50   1HD1  ILE   7          1HD1      ILE   7  -6.171 -13.487   3.028
   51   2HD1  ILE   7          2HD1      ILE   7  -4.955 -13.126   4.285
   52   3HD1  ILE   7          3HD1      ILE   7  -6.304 -11.989   3.973
   53    H    SER   8           H        SER   8  -0.549 -10.362   3.523
   54    HA   SER   8           HA       SER   8  -0.689  -7.622   4.168
   55   1HB   SER   8          1HB       SER   8   0.831  -9.205   5.373
   56   2HB   SER   8          2HB       SER   8   1.895  -9.264   3.929
   57    HG   SER   8           HG       SER   8   2.575  -7.575   5.462
   58    H    ASP   9           H        ASP   9   1.197  -9.266   1.425
   59    HA   ASP   9           HA       ASP   9   2.316  -6.804   0.607
   60   1HB   ASP   9          1HB       ASP   9   2.913  -7.771  -1.517
   61   2HB   ASP   9          2HB       ASP   9   3.220  -8.946  -0.212
   62    H    TYR  10           H        TYR  10  -0.911  -8.296  -0.191
   63    HA   TYR  10           HA       TYR  10  -1.545  -6.377  -2.213
   64   1HB   TYR  10          1HB       TYR  10  -3.071  -8.259  -2.002
   65   2HB   TYR  10          2HB       TYR  10  -3.368  -7.934  -0.286
   66    HD1  TYR  10           HD1      TYR  10  -3.960  -6.585  -3.729
   67    HD2  TYR  10           HD2      TYR  10  -4.932  -6.216   0.447
   68    HE1  TYR  10           HE1      TYR  10  -5.782  -5.002  -4.283
   69    HE2  TYR  10           HE2      TYR  10  -6.713  -4.614  -0.101
   70    HH   TYR  10           HH       TYR  10  -8.010  -3.638  -1.868
   71    H    SER  11           H        SER  11  -2.217  -6.368   1.405
   72    HA   SER  11           HA       SER  11  -3.523  -3.861   1.346
   73   1HB   SER  11          1HB       SER  11  -3.565  -5.351   3.363
   74   2HB   SER  11          2HB       SER  11  -1.821  -5.063   3.617
   75    HG   SER  11           HG       SER  11  -3.819  -2.996   3.724
   76    H    ILE  12           H        ILE  12   0.015  -4.674   1.613
   77    HA   ILE  12           HA       ILE  12   0.776  -1.950   2.203
   78    HB   ILE  12           HB       ILE  12   2.375  -4.293   1.052
   79   1HG1  ILE  12          1HG1      ILE  12   2.552  -2.965   3.834
   80   2HG1  ILE  12          2HG1      ILE  12   1.473  -4.337   3.519
   81   1HG2  ILE  12          1HG2      ILE  12   3.377  -1.506   1.902
   82   2HG2  ILE  12          2HG2      ILE  12   4.434  -2.885   1.494
   83   3HG2  ILE  12          3HG2      ILE  12   3.407  -2.171   0.246
   84   1HD1  ILE  12          1HD1      ILE  12   3.419  -5.765   2.840
   85   2HD1  ILE  12          2HD1      ILE  12   4.540  -4.433   3.251
   86   3HD1  ILE  12          3HD1      ILE  12   3.539  -5.171   4.520
   87    H    ALA  13           H        ALA  13   0.631  -3.928  -0.887
   88    HA   ALA  13           HA       ALA  13   1.595  -1.859  -2.547
   89   1HB   ALA  13          1HB       ALA  13   0.411  -3.025  -4.428
   90   2HB   ALA  13          2HB       ALA  13   1.281  -4.192  -3.385
   91   3HB   ALA  13          3HB       ALA  13  -0.495  -4.022  -3.251
   92    H    MET  14           H        MET  14  -1.813  -2.629  -1.473
   93    HA   MET  14           HA       MET  14  -3.053  -0.591  -3.019
   94   1HB   MET  14          1HB       MET  14  -4.337  -2.383  -1.813
   95   2HB   MET  14          2HB       MET  14  -3.859  -1.675  -0.251
   96   1HG   MET  14          1HG       MET  14  -5.087   0.494  -0.918
   97   2HG   MET  14          2HG       MET  14  -5.587  -0.323  -2.428
   98   1HE   MET  14          1HE       MET  14  -5.438  -1.228   1.556
   99   2HE   MET  14          2HE       MET  14  -6.340   0.308   1.315
  100   3HE   MET  14          3HE       MET  14  -7.204  -1.169   1.847
  101    H    ASP  15           H        ASP  15  -1.706  -0.563   0.397
  102    HA   ASP  15           HA       ASP  15  -2.378   2.157   0.868
  103   1HB   ASP  15          1HB       ASP  15  -1.666   0.633   2.712
  104   2HB   ASP  15          2HB       ASP  15  -0.025   0.540   2.019
  105    H    LYS  16           H        LYS  16   0.475   0.641  -0.797
  106    HA   LYS  16           HA       LYS  16   2.042   3.051  -0.758
  107   1HB   LYS  16          1HB       LYS  16   2.915   0.729  -1.097
  108   2HB   LYS  16          2HB       LYS  16   2.203   0.680  -2.727
  109   1HG   LYS  16          1HG       LYS  16   4.290   2.781  -1.829
  110   2HG   LYS  16          2HG       LYS  16   4.712   1.195  -2.522
  111   1HD   LYS  16          1HD       LYS  16   3.514   1.733  -4.640
  112   2HD   LYS  16          2HD       LYS  16   3.086   3.340  -4.006
  113   1HE   LYS  16          1HE       LYS  16   5.033   3.543  -5.481
  114   2HE   LYS  16          2HE       LYS  16   5.500   3.959  -3.814
  115   1HZ   LYS  16          1HZ       LYS  16   6.747   1.878  -3.625
  116   2HZ   LYS  16          2HZ       LYS  16   6.006   1.241  -5.112
  117    H    ILE  17           H        ILE  17  -0.228   1.546  -3.202
  118    HA   ILE  17           HA       ILE  17   0.098   3.616  -5.146
  119    HB   ILE  17           HB       ILE  17  -2.314   1.826  -4.501
  120   1HG1  ILE  17          1HG1      ILE  17  -0.409   1.749  -6.926
  121   2HG1  ILE  17          2HG1      ILE  17  -0.093   0.816  -5.451
  122   1HG2  ILE  17          1HG2      ILE  17  -3.291   2.587  -6.709
  123   2HG2  ILE  17          2HG2      ILE  17  -3.180   3.915  -5.549
  124   3HG2  ILE  17          3HG2      ILE  17  -1.972   3.781  -6.857
  125   1HD1  ILE  17          1HD1      ILE  17  -2.297  -0.381  -5.703
  126   2HD1  ILE  17          2HD1      ILE  17  -2.549   0.440  -7.273
  127   3HD1  ILE  17          3HD1      ILE  17  -1.169  -0.661  -7.058
  128    H    HIS  18           H        HIS  18  -2.255   3.233  -2.372
  129    HA   HIS  18           HA       HIS  18  -3.540   5.693  -2.950
  130   1HB   HIS  18          1HB       HIS  18  -4.471   3.811  -1.471
  131   2HB   HIS  18          2HB       HIS  18  -3.315   4.323  -0.212
  132    HD1  HIS  18           HD1      HIS  18  -5.347   4.776   1.289
  133    HD2  HIS  18           HD2      HIS  18  -5.224   7.163  -2.180
  134    HE1  HIS  18           HE1      HIS  18  -7.018   6.635   1.656
  135    H    GLN  19           H        GLN  19  -0.566   4.936  -1.041
  136    HA   GLN  19           HA       GLN  19  -0.434   7.144   0.598
  137   1HB   GLN  19          1HB       GLN  19   1.310   5.324   0.578
  138   2HB   GLN  19          2HB       GLN  19   1.868   5.895  -1.019
  139   1HG   GLN  19          1HG       GLN  19   3.435   6.610   0.665
  140   2HG   GLN  19          2HG       GLN  19   2.629   8.039  -0.012
  141   1HE2  GLN  19          1HE2      GLN  19   3.908   8.582   2.279
  142   2HE2  GLN  19          2HE2      GLN  19   2.850   8.605   3.641
  143    H    GLN  20           H        GLN  20   0.144   7.034  -2.987
  144    HA   GLN  20           HA       GLN  20   1.228   9.502  -3.457
  145   1HB   GLN  20          1HB       GLN  20   0.390   7.980  -5.291
  146   2HB   GLN  20          2HB       GLN  20  -1.281   8.372  -4.838
  147   1HG   GLN  20          1HG       GLN  20  -0.585  10.915  -5.333
  148   2HG   GLN  20          2HG       GLN  20   0.844  10.207  -6.112
  149   1HE2  GLN  20          1HE2      GLN  20  -2.822  10.075  -6.009
  150   2HE2  GLN  20          2HE2      GLN  20  -3.000   9.708  -7.685
  151    H    ASP  21           H        ASP  21  -2.387   8.934  -2.777
  152    HA   ASP  21           HA       ASP  21  -2.889  11.711  -3.019
  153   1HB   ASP  21          1HB       ASP  21  -5.082  11.392  -2.284
  154   2HB   ASP  21          2HB       ASP  21  -4.696   9.834  -3.055
  155    H    PHE  22           H        PHE  22  -1.958   9.647  -0.174
  156    HA   PHE  22           HA       PHE  22  -2.602  11.610   1.772
  157   1HB   PHE  22          1HB       PHE  22  -2.088   9.198   2.312
  158   2HB   PHE  22          2HB       PHE  22  -0.378   9.485   1.925
  159    HD1  PHE  22           HD1      PHE  22   1.053  10.569   3.601
  160    HD2  PHE  22           HD2      PHE  22  -3.219  10.588   4.133
  161    HE1  PHE  22           HE1      PHE  22   1.338  11.394   5.918
  162    HE2  PHE  22           HE2      PHE  22  -2.930  11.485   6.421
  163    HZ   PHE  22           HZ       PHE  22  -0.650  11.880   7.321
  164    H    VAL  23           H        VAL  23   0.443  10.998  -0.138
  165    HA   VAL  23           HA       VAL  23   1.902  13.040   1.321
  166    HB   VAL  23           HB       VAL  23   2.495  11.628  -1.324
  167   1HG1  VAL  23          1HG1      VAL  23   4.808  12.644  -1.105
  168   2HG1  VAL  23          2HG1      VAL  23   3.554  13.866  -1.430
  169   3HG1  VAL  23          3HG1      VAL  23   4.208  13.683   0.224
  170   1HG2  VAL  23          1HG2      VAL  23   4.172  10.406   0.031
  171   2HG2  VAL  23          2HG2      VAL  23   3.824  11.419   1.462
  172   3HG2  VAL  23          3HG2      VAL  23   2.588  10.291   0.854
  173    H    ASN  24           H        ASN  24   0.344  12.903  -2.002
  174    HA   ASN  24           HA       ASN  24   0.789  15.586  -2.674
  175   1HB   ASN  24          1HB       ASN  24  -0.324  13.898  -4.183
  176   2HB   ASN  24          2HB       ASN  24  -1.784  13.965  -3.157
  177   1HD2  ASN  24          1HD2      ASN  24  -2.539  14.472  -5.583
  178   2HD2  ASN  24          2HD2      ASN  24  -2.624  16.155  -5.958
  179    H    TRP  25           H        TRP  25  -1.713  14.138  -0.464
  180    HA   TRP  25           HA       TRP  25  -3.189  16.566  -0.182
  181   1HB   TRP  25          1HB       TRP  25  -4.271  14.473   0.401
  182   2HB   TRP  25          2HB       TRP  25  -3.051  14.100   1.645
  183    HD1  TRP  25           HD1      TRP  25  -6.059  16.428   1.053
  184    HE1  TRP  25           HE1      TRP  25  -6.731  17.456   3.255
  185    HE3  TRP  25           HE3      TRP  25  -2.214  14.651   4.034
  186    HZ2  TRP  25           HZ2      TRP  25  -5.783  17.697   5.823
  187    HZ3  TRP  25           HZ3      TRP  25  -2.125  15.461   6.403
  188    HH2  TRP  25           HH2      TRP  25  -3.887  16.960   7.281
  189    H    LEU  26           H        LEU  26  -0.601  15.080   2.039
  190    HA   LEU  26           HA       LEU  26  -0.855  17.315   3.808
  191   1HB   LEU  26          1HB       LEU  26   1.112  16.597   4.983
  192   2HB   LEU  26          2HB       LEU  26   0.143  15.189   4.518
  193    HG   LEU  26           HG       LEU  26   1.846  15.147   2.418
  194   1HD1  LEU  26          1HD1      LEU  26   4.154  15.829   2.992
  195   2HD1  LEU  26          2HD1      LEU  26   3.108  17.262   3.044
  196   3HD1  LEU  26          3HD1      LEU  26   3.602  16.475   4.562
  197   1HD2  LEU  26          1HD2      LEU  26   1.586  13.287   4.022
  198   2HD2  LEU  26          2HD2      LEU  26   3.314  13.552   3.690
  199   3HD2  LEU  26          3HD2      LEU  26   2.601  14.142   5.222
  200    H    LEU  27           H        LEU  27   1.098  16.852   0.793
  201    HA   LEU  27           HA       LEU  27   2.690  19.224   1.240
  202   1HB   LEU  27          1HB       LEU  27   1.779  17.901  -1.380
  203   2HB   LEU  27          2HB       LEU  27   2.946  19.240  -1.294
  204    HG   LEU  27           HG       LEU  27   3.420  16.495   0.032
  205   1HD1  LEU  27          1HD1      LEU  27   3.285  16.269  -2.465
  206   2HD1  LEU  27          2HD1      LEU  27   4.472  17.588  -2.656
  207   3HD1  LEU  27          3HD1      LEU  27   4.960  16.046  -1.902
  208   1HD2  LEU  27          1HD2      LEU  27   5.828  17.252   0.090
  209   2HD2  LEU  27          2HD2      LEU  27   5.324  18.863  -0.489
  210   3HD2  LEU  27          3HD2      LEU  27   4.800  18.268   1.113
  211    H    ALA  28           H        ALA  28  -0.505  18.622  -0.454
  212    HA   ALA  28           HA       ALA  28  -0.858  21.331  -1.212
  213   1HB   ALA  28          1HB       ALA  28  -3.038  19.288  -0.423
  214   2HB   ALA  28          2HB       ALA  28  -3.305  20.820  -1.304
  215   3HB   ALA  28          3HB       ALA  28  -2.350  19.509  -2.058
  216    H    GLN  29           H        GLN  29  -1.732  19.553   1.861
  217    HA   GLN  29           HA       GLN  29  -2.666  22.128   3.051
  218   1HB   GLN  29          1HB       GLN  29  -2.728  19.291   4.240
  219   2HB   GLN  29          2HB       GLN  29  -3.508  20.764   4.872
  220   1HG   GLN  29          1HG       GLN  29  -4.188  19.193   2.305
  221   2HG   GLN  29          2HG       GLN  29  -5.211  19.435   3.739
  222   1HE2  GLN  29          1HE2      GLN  29  -5.414  20.301   0.631
  223   2HE2  GLN  29          2HE2      GLN  29  -5.950  21.926   0.809
  224    H    LYS  30           H        LYS  30  -0.364  22.962   2.800
  225    HA   LYS  30           HA       LYS  30   1.811  21.658   4.092
  226   1HB   LYS  30          1HB       LYS  30   1.344  24.683   3.732
  227   2HB   LYS  30          2HB       LYS  30   2.869  23.942   4.290
  228   1HG   LYS  30          1HG       LYS  30   3.061  22.681   2.118
  229   2HG   LYS  30          2HG       LYS  30   1.570  23.468   1.530
  230   1HD   LYS  30          1HD       LYS  30   2.646  25.723   1.779
  231   2HD   LYS  30          2HD       LYS  30   4.157  24.940   2.324
  232   1HE   LYS  30          1HE       LYS  30   4.320  23.726   0.129
  233   2HE   LYS  30          2HE       LYS  30   2.826  24.533  -0.436
  234   1HZ   LYS  30          1HZ       LYS  30   4.913  25.688  -1.212
  235   2HZ   LYS  30          2HZ       LYS  30   3.978  26.736  -0.155
  Start of MODEL    9
    1   1H    TYR   1          1H        TYR   1   5.719 -17.120  -7.501
    2   2H    TYR   1          2H        TYR   1   6.059 -18.317  -6.274
    3   3H    TYR   1          3H        TYR   1   6.447 -16.645  -6.003
    4    HA   TYR   1           HA       TYR   1   4.058 -16.053  -6.047
    5   1HB   TYR   1          1HB       TYR   1   3.640 -19.108  -6.216
    6   2HB   TYR   1          2HB       TYR   1   2.350 -17.934  -5.888
    7    HD1  TYR   1           HD1      TYR   1   4.389 -19.442  -8.541
    8    HD2  TYR   1           HD2      TYR   1   1.791 -16.144  -7.598
    9    HE1  TYR   1           HE1      TYR   1   4.038 -19.037 -10.945
   10    HE2  TYR   1           HE2      TYR   1   1.435 -15.740 -10.012
   11    HH   TYR   1           HH       TYR   1   2.947 -17.694 -12.591
   12    H    ALA   2           H        ALA   2   2.673 -16.263  -3.999
   13    HA   ALA   2           HA       ALA   2   3.907 -17.843  -1.814
   14   1HB   ALA   2          1HB       ALA   2   4.342 -15.782  -0.440
   15   2HB   ALA   2          2HB       ALA   2   5.342 -15.780  -1.922
   16   3HB   ALA   2          3HB       ALA   2   3.880 -14.754  -1.834
   17    H    GLU   3           H        GLU   3   1.546 -18.589  -2.606
   18    HA   GLU   3           HA       GLU   3  -0.632 -16.924  -1.695
   19   1HB   GLU   3          1HB       GLU   3  -0.925 -18.714  -3.395
   20   2HB   GLU   3          2HB       GLU   3  -0.607 -19.959  -2.159
   21   1HG   GLU   3          1HG       GLU   3  -2.622 -19.131  -0.846
   22   2HG   GLU   3          2HG       GLU   3  -2.918 -17.897  -2.097
   23    H    GLY   4           H        GLY   4   0.142 -16.254   0.456
   24   1HA   GLY   4          1HA       GLY   4  -0.721 -17.947   2.610
   25   2HA   GLY   4          2HA       GLY   4   1.059 -18.033   2.457
   26    H    THR   5           H        THR   5   2.031 -15.614   1.960
   27    HA   THR   5           HA       THR   5   0.760 -13.742   3.964
   28    HB   THR   5           HB       THR   5   2.958 -14.546   4.728
   29    HG1  THR   5           HG1      THR   5   2.977 -11.798   3.936
   30   1HG2  THR   5          1HG2      THR   5   4.082 -13.355   2.106
   31   2HG2  THR   5          2HG2      THR   5   5.051 -13.766   3.545
   32   3HG2  THR   5          3HG2      THR   5   4.210 -15.051   2.650
   33    H    PHE   6           H        PHE   6  -0.228 -14.045   1.252
   34    HA   PHE   6           HA       PHE   6   1.082 -11.911  -0.280
   35   1HB   PHE   6          1HB       PHE   6   0.014 -14.048  -1.289
   36   2HB   PHE   6          2HB       PHE   6  -1.568 -13.324  -0.943
   37    HD1  PHE   6           HD1      PHE   6  -2.240 -11.209  -2.175
   38    HD2  PHE   6           HD2      PHE   6   1.548 -13.106  -2.951
   39    HE1  PHE   6           HE1      PHE   6  -1.977  -9.859  -4.235
   40    HE2  PHE   6           HE2      PHE   6   1.792 -11.772  -5.020
   41    HZ   PHE   6           HZ       PHE   6   0.034 -10.139  -5.662
   42    H    ILE   7           H        ILE   7  -1.814 -12.340   1.881
   43    HA   ILE   7           HA       ILE   7  -3.229 -10.046   0.997
   44    HB   ILE   7           HB       ILE   7  -3.025 -11.299   3.787
   45   1HG1  ILE   7          1HG1      ILE   7  -5.364 -11.309   1.765
   46   2HG1  ILE   7          2HG1      ILE   7  -4.145 -12.599   1.833
   47   1HG2  ILE   7          1HG2      ILE   7  -3.600  -8.886   4.080
   48   2HG2  ILE   7          2HG2      ILE   7  -4.884  -9.022   2.846
   49   3HG2  ILE   7          3HG2      ILE   7  -5.029  -9.868   4.413
   50   1HD1  ILE   7          1HD1      ILE   7  -6.094 -13.356   3.071
   51   2HD1  ILE   7          2HD1      ILE   7  -4.768 -13.080   4.235
   52   3HD1  ILE   7          3HD1      ILE   7  -6.113 -11.909   4.100
   53    H    SER   8           H        SER   8  -0.504 -10.402   3.450
   54    HA   SER   8           HA       SER   8  -0.476  -7.691   4.195
   55   1HB   SER   8          1HB       SER   8   1.986  -9.495   3.801
   56   2HB   SER   8          2HB       SER   8   1.907  -7.992   4.775
   57    HG   SER   8           HG       SER   8   1.508  -9.955   6.091
   58    H    ASP   9           H        ASP   9   1.267  -9.335   1.395
   59    HA   ASP   9           HA       ASP   9   2.509  -6.953   0.483
   60   1HB   ASP   9          1HB       ASP   9   1.545  -9.349  -1.202
   61   2HB   ASP   9          2HB       ASP   9   2.631  -8.052  -1.764
   62    H    TYR  10           H        TYR  10  -0.797  -8.337  -0.240
   63    HA   TYR  10           HA       TYR  10  -1.398  -6.439  -2.273
   64   1HB   TYR  10          1HB       TYR  10  -2.756  -8.528  -1.807
   65   2HB   TYR  10          2HB       TYR  10  -3.398  -7.771  -0.335
   66    HD1  TYR  10           HD1      TYR  10  -4.779  -5.624  -0.524
   67    HD2  TYR  10           HD2      TYR  10  -3.595  -7.869  -4.003
   68    HE1  TYR  10           HE1      TYR  10  -6.466  -4.430  -1.882
   69    HE2  TYR  10           HE2      TYR  10  -5.332  -6.743  -5.328
   70    HH   TYR  10           HH       TYR  10  -7.132  -5.171  -5.308
   71    H    SER  11           H        SER  11  -1.995  -6.413   1.345
   72    HA   SER  11           HA       SER  11  -3.424  -3.953   1.313
   73   1HB   SER  11          1HB       SER  11  -1.699  -5.122   3.586
   74   2HB   SER  11          2HB       SER  11  -2.994  -3.904   3.764
   75    HG   SER  11           HG       SER  11  -4.453  -5.638   2.966
   76    H    ILE  12           H        ILE  12   0.129  -4.711   1.725
   77    HA   ILE  12           HA       ILE  12   0.828  -1.973   2.274
   78    HB   ILE  12           HB       ILE  12   2.471  -4.278   1.100
   79   1HG1  ILE  12          1HG1      ILE  12   1.755  -4.512   3.536
   80   2HG1  ILE  12          2HG1      ILE  12   3.508  -4.531   3.253
   81   1HG2  ILE  12          1HG2      ILE  12   4.516  -2.830   1.596
   82   2HG2  ILE  12          2HG2      ILE  12   3.526  -2.270   0.230
   83   3HG2  ILE  12          3HG2      ILE  12   3.409  -1.438   1.800
   84   1HD1  ILE  12          1HD1      ILE  12   1.930  -2.102   4.336
   85   2HD1  ILE  12          2HD1      ILE  12   2.916  -3.235   5.284
   86   3HD1  ILE  12          3HD1      ILE  12   3.700  -2.180   4.090
   87    H    ALA  13           H        ALA  13   0.658  -3.923  -0.824
   88    HA   ALA  13           HA       ALA  13   1.628  -1.801  -2.443
   89   1HB   ALA  13          1HB       ALA  13   1.373  -4.124  -3.324
   90   2HB   ALA  13          2HB       ALA  13  -0.406  -3.998  -3.202
   91   3HB   ALA  13          3HB       ALA  13   0.486  -2.957  -4.351
   92    H    MET  14           H        MET  14  -1.776  -2.679  -1.428
   93    HA   MET  14           HA       MET  14  -3.019  -0.695  -3.005
   94   1HB   MET  14          1HB       MET  14  -4.273  -2.550  -1.830
   95   2HB   MET  14          2HB       MET  14  -3.913  -1.772  -0.269
   96   1HG   MET  14          1HG       MET  14  -6.166  -1.169  -0.828
   97   2HG   MET  14          2HG       MET  14  -5.231   0.316  -1.122
   98   1HE   MET  14          1HE       MET  14  -6.037   1.087  -4.706
   99   2HE   MET  14          2HE       MET  14  -4.916   1.393  -3.346
  100   3HE   MET  14          3HE       MET  14  -4.465   0.249  -4.658
  101    H    ASP  15           H        ASP  15  -1.791  -0.617   0.446
  102    HA   ASP  15           HA       ASP  15  -2.572   2.069   0.912
  103   1HB   ASP  15          1HB       ASP  15  -1.816   0.608   2.779
  104   2HB   ASP  15          2HB       ASP  15  -0.179   0.515   2.075
  105    H    LYS  16           H        LYS  16   0.493   0.644  -0.482
  106    HA   LYS  16           HA       LYS  16   1.909   3.083  -0.471
  107   1HB   LYS  16          1HB       LYS  16   2.855   0.686  -0.953
  108   2HB   LYS  16          2HB       LYS  16   2.212   0.885  -2.599
  109   1HG   LYS  16          1HG       LYS  16   4.540   1.457  -2.708
  110   2HG   LYS  16          2HG       LYS  16   3.700   3.027  -2.763
  111   1HD   LYS  16          1HD       LYS  16   4.226   3.361  -0.293
  112   2HD   LYS  16          2HD       LYS  16   4.948   1.730  -0.237
  113   1HE   LYS  16          1HE       LYS  16   6.707   2.473  -1.884
  114   2HE   LYS  16          2HE       LYS  16   5.957   4.098  -1.925
  115   1HZ   LYS  16          1HZ       LYS  16   7.111   2.776   0.561
  116   2HZ   LYS  16          2HZ       LYS  16   7.823   4.104  -0.339
  117    H    ILE  17           H        ILE  17  -0.308   1.621  -2.936
  118    HA   ILE  17           HA       ILE  17   0.091   3.699  -4.892
  119    HB   ILE  17           HB       ILE  17  -2.284   1.835  -4.325
  120   1HG1  ILE  17          1HG1      ILE  17  -0.346   1.837  -6.719
  121   2HG1  ILE  17          2HG1      ILE  17   0.026   0.946  -5.230
  122   1HG2  ILE  17          1HG2      ILE  17  -3.198   3.894  -5.371
  123   2HG2  ILE  17          2HG2      ILE  17  -1.948   3.827  -6.646
  124   3HG2  ILE  17          3HG2      ILE  17  -3.222   2.577  -6.551
  125   1HD1  ILE  17          1HD1      ILE  17  -2.440   0.403  -6.997
  126   2HD1  ILE  17          2HD1      ILE  17  -0.971  -0.591  -6.862
  127   3HD1  ILE  17          3HD1      ILE  17  -2.053  -0.418  -5.456
  128    H    HIS  18           H        HIS  18  -2.312   3.248  -2.161
  129    HA   HIS  18           HA       HIS  18  -3.663   5.645  -2.755
  130   1HB   HIS  18          1HB       HIS  18  -4.522   3.793  -1.208
  131   2HB   HIS  18          2HB       HIS  18  -3.361   4.368   0.019
  132    HD1  HIS  18           HD1      HIS  18  -5.369   4.825   1.543
  133    HD2  HIS  18           HD2      HIS  18  -5.357   7.105  -1.998
  134    HE1  HIS  18           HE1      HIS  18  -7.064   6.672   1.889
  135    H    GLN  19           H        GLN  19  -0.658   5.071  -0.798
  136    HA   GLN  19           HA       GLN  19  -0.638   7.459   0.654
  137   1HB   GLN  19          1HB       GLN  19   1.684   5.874  -0.579
  138   2HB   GLN  19          2HB       GLN  19   1.960   7.363   0.348
  139   1HG   GLN  19          1HG       GLN  19   1.030   6.435   2.391
  140   2HG   GLN  19          2HG       GLN  19   0.352   5.035   1.539
  141   1HE2  GLN  19          1HE2      GLN  19   3.690   6.608   1.880
  142   2HE2  GLN  19          2HE2      GLN  19   4.480   5.096   2.123
  143    H    GLN  20           H        GLN  20  -0.089   7.021  -2.911
  144    HA   GLN  20           HA       GLN  20   1.117   9.416  -3.515
  145   1HB   GLN  20          1HB       GLN  20   0.245   7.825  -5.272
  146   2HB   GLN  20          2HB       GLN  20  -1.416   8.322  -4.878
  147   1HG   GLN  20          1HG       GLN  20  -0.620  10.787  -5.491
  148   2HG   GLN  20          2HG       GLN  20   0.830  10.008  -6.155
  149   1HE2  GLN  20          1HE2      GLN  20  -2.835   9.979  -6.266
  150   2HE2  GLN  20          2HE2      GLN  20  -2.927   9.524  -7.926
  151    H    ASP  21           H        ASP  21  -2.511   8.987  -2.819
  152    HA   ASP  21           HA       ASP  21  -2.889  11.800  -3.150
  153   1HB   ASP  21          1HB       ASP  21  -5.134  11.563  -2.492
  154   2HB   ASP  21          2HB       ASP  21  -4.750  10.069  -3.382
  155    H    PHE  22           H        PHE  22  -2.079   9.736  -0.279
  156    HA   PHE  22           HA       PHE  22  -2.906  11.720   1.610
  157   1HB   PHE  22          1HB       PHE  22  -2.443   9.202   2.059
  158   2HB   PHE  22          2HB       PHE  22  -0.723   9.632   2.171
  159    HD1  PHE  22           HD1      PHE  22  -3.929   9.608   3.902
  160    HD2  PHE  22           HD2      PHE  22  -0.058  11.493   3.874
  161    HE1  PHE  22           HE1      PHE  22  -4.329  10.466   6.182
  162    HE2  PHE  22           HE2      PHE  22  -0.509  12.440   6.118
  163    HZ   PHE  22           HZ       PHE  22  -2.641  11.917   7.283
  164    H    VAL  23           H        VAL  23   0.299  10.880   0.087
  165    HA   VAL  23           HA       VAL  23   1.734  12.903   1.553
  166    HB   VAL  23           HB       VAL  23   2.408  11.487  -1.085
  167   1HG1  VAL  23          1HG1      VAL  23   3.575  13.676  -1.048
  168   2HG1  VAL  23          2HG1      VAL  23   4.134  13.393   0.626
  169   3HG1  VAL  23          3HG1      VAL  23   4.749  12.384  -0.716
  170   1HG2  VAL  23          1HG2      VAL  23   3.511  11.110   1.780
  171   2HG2  VAL  23          2HG2      VAL  23   2.369   9.997   0.981
  172   3HG2  VAL  23          3HG2      VAL  23   4.014  10.196   0.330
  173    H    ASN  24           H        ASN  24   0.245  12.775  -1.810
  174    HA   ASN  24           HA       ASN  24   0.917  15.412  -2.511
  175   1HB   ASN  24          1HB       ASN  24  -0.206  13.783  -4.070
  176   2HB   ASN  24          2HB       ASN  24  -1.719  13.956  -3.132
  177   1HD2  ASN  24          1HD2      ASN  24  -2.314  14.486  -5.590
  178   2HD2  ASN  24          2HD2      ASN  24  -2.259  16.165  -5.980
  179    H    TRP  25           H        TRP  25  -1.814  14.155  -0.445
  180    HA   TRP  25           HA       TRP  25  -3.156  16.659  -0.263
  181   1HB   TRP  25          1HB       TRP  25  -4.381  14.678   0.390
  182   2HB   TRP  25          2HB       TRP  25  -3.173  14.230   1.617
  183    HD1  TRP  25           HD1      TRP  25  -6.037  16.750   1.108
  184    HE1  TRP  25           HE1      TRP  25  -6.600  17.765   3.346
  185    HE3  TRP  25           HE3      TRP  25  -2.229  14.707   3.971
  186    HZ2  TRP  25           HZ2      TRP  25  -5.611  17.870   5.907
  187    HZ3  TRP  25           HZ3      TRP  25  -2.050  15.460   6.353
  188    HH2  TRP  25           HH2      TRP  25  -3.717  17.020   7.304
  189    H    LEU  26           H        LEU  26  -0.615  15.181   2.007
  190    HA   LEU  26           HA       LEU  26  -0.844  17.485   3.699
  191   1HB   LEU  26          1HB       LEU  26   1.045  16.793   4.958
  192   2HB   LEU  26          2HB       LEU  26   0.082  15.371   4.522
  193    HG   LEU  26           HG       LEU  26   1.865  15.131   2.543
  194   1HD1  LEU  26          1HD1      LEU  26   3.551  16.687   4.603
  195   2HD1  LEU  26          2HD1      LEU  26   4.148  15.915   3.107
  196   3HD1  LEU  26          3HD1      LEU  26   3.094  17.339   3.016
  197   1HD2  LEU  26          1HD2      LEU  26   3.307  13.707   4.010
  198   2HD2  LEU  26          2HD2      LEU  26   2.564  14.457   5.456
  199   3HD2  LEU  26          3HD2      LEU  26   1.578  13.456   4.352
  200    H    LEU  27           H        LEU  27   1.268  16.750   0.809
  201    HA   LEU  27           HA       LEU  27   2.871  19.100   1.138
  202   1HB   LEU  27          1HB       LEU  27   1.995  17.676  -1.440
  203   2HB   LEU  27          2HB       LEU  27   3.211  18.971  -1.387
  204    HG   LEU  27           HG       LEU  27   3.531  16.270   0.074
  205   1HD1  LEU  27          1HD1      LEU  27   4.737  17.227  -2.595
  206   2HD1  LEU  27          2HD1      LEU  27   5.128  15.693  -1.768
  207   3HD1  LEU  27          3HD1      LEU  27   3.489  15.962  -2.414
  208   1HD2  LEU  27          1HD2      LEU  27   5.536  18.552  -0.437
  209   2HD2  LEU  27          2HD2      LEU  27   4.928  18.028   1.159
  210   3HD2  LEU  27          3HD2      LEU  27   5.959  16.945   0.211
  211    H    ALA  28           H        ALA  28  -0.286  18.555  -0.606
  212    HA   ALA  28           HA       ALA  28  -0.506  21.194  -1.579
  213   1HB   ALA  28          1HB       ALA  28  -2.789  19.351  -0.608
  214   2HB   ALA  28          2HB       ALA  28  -2.981  20.809  -1.622
  215   3HB   ALA  28          3HB       ALA  28  -2.099  19.388  -2.256
  216    H    GLN  29           H        GLN  29  -1.420  19.750   1.658
  217    HA   GLN  29           HA       GLN  29  -2.011  22.538   2.636
  218   1HB   GLN  29          1HB       GLN  29  -2.779  19.804   3.818
  219   2HB   GLN  29          2HB       GLN  29  -3.236  21.419   4.433
  220   1HG   GLN  29          1HG       GLN  29  -4.394  21.871   2.194
  221   2HG   GLN  29          2HG       GLN  29  -4.046  20.186   1.716
  222   1HE2  GLN  29          1HE2      GLN  29  -6.643  20.688   1.560
  223   2HE2  GLN  29          2HE2      GLN  29  -7.511  20.138   2.947
  224    H    LYS  30           H        LYS  30   0.577  22.501   2.309
  225    HA   LYS  30           HA       LYS  30   2.602  22.614   3.385
  226   1HB   LYS  30          1HB       LYS  30   0.608  23.138   5.530
  227   2HB   LYS  30          2HB       LYS  30   2.059  22.343   6.171
  228   1HG   LYS  30          1HG       LYS  30   2.405  24.718   6.344
  229   2HG   LYS  30          2HG       LYS  30   3.503  24.083   5.098
  230   1HD   LYS  30          1HD       LYS  30   1.802  24.914   3.315
  231   2HD   LYS  30          2HD       LYS  30   0.816  25.546   4.661
  232   1HE   LYS  30          1HE       LYS  30   2.058  27.404   3.763
  233   2HE   LYS  30          2HE       LYS  30   2.846  27.018   5.318
  234   1HZ   LYS  30          1HZ       LYS  30   4.422  27.437   3.363
  235   2HZ   LYS  30          2HZ       LYS  30   4.654  25.845   4.032
  Start of MODEL   10
    1   1H    TYR   1          1H        TYR   1   4.571 -16.363  -6.982
    2   2H    TYR   1          2H        TYR   1   3.934 -14.882  -7.618
    3   3H    TYR   1          3H        TYR   1   2.852 -16.139  -7.069
    4    HA   TYR   1           HA       TYR   1   4.767 -14.552  -5.331
    5   1HB   TYR   1          1HB       TYR   1   1.678 -14.543  -5.476
    6   2HB   TYR   1          2HB       TYR   1   2.623 -13.742  -4.208
    7    HD1  TYR   1           HD1      TYR   1   4.213 -11.873  -4.777
    8    HD2  TYR   1           HD2      TYR   1   1.479 -13.466  -7.694
    9    HE1  TYR   1           HE1      TYR   1   4.515  -9.855  -6.154
   10    HE2  TYR   1           HE2      TYR   1   1.787 -11.439  -9.078
   11    HH   TYR   1           HH       TYR   1   3.938  -8.737  -8.185
   12    H    ALA   2           H        ALA   2   4.455 -15.015  -2.937
   13    HA   ALA   2           HA       ALA   2   4.158 -17.863  -2.450
   14   1HB   ALA   2          1HB       ALA   2   5.598 -16.500  -0.960
   15   2HB   ALA   2          2HB       ALA   2   4.194 -15.514  -0.453
   16   3HB   ALA   2          3HB       ALA   2   4.264 -17.251  -0.031
   17    H    GLU   3           H        GLU   3   1.984 -18.792  -2.576
   18    HA   GLU   3           HA       GLU   3  -0.302 -16.970  -2.270
   19   1HB   GLU   3          1HB       GLU   3  -0.292 -18.850  -3.932
   20   2HB   GLU   3          2HB       GLU   3  -0.269 -20.022  -2.589
   21   1HG   GLU   3          1HG       GLU   3  -2.589 -19.728  -3.409
   22   2HG   GLU   3          2HG       GLU   3  -2.478 -19.069  -1.762
   23    H    GLY   4           H        GLY   4   0.491 -16.280  -0.039
   24   1HA   GLY   4          1HA       GLY   4  -0.849 -17.846   2.032
   25   2HA   GLY   4          2HA       GLY   4   0.932 -17.940   2.127
   26    H    THR   5           H        THR   5   2.054 -15.588   1.842
   27    HA   THR   5           HA       THR   5   0.571 -13.715   3.679
   28    HB   THR   5           HB       THR   5   2.794 -12.691   4.023
   29    HG1  THR   5           HG1      THR   5   4.614 -13.750   2.907
   30   1HG2  THR   5          1HG2      THR   5   2.912 -15.766   4.334
   31   2HG2  THR   5          2HG2      THR   5   3.903 -14.577   5.224
   32   3HG2  THR   5          3HG2      THR   5   2.137 -14.639   5.488
   33    H    PHE   6           H        PHE   6  -0.103 -14.077   0.685
   34    HA   PHE   6           HA       PHE   6   1.031 -11.716  -0.560
   35   1HB   PHE   6          1HB       PHE   6   0.145 -13.649  -1.909
   36   2HB   PHE   6          2HB       PHE   6  -1.493 -13.314  -1.305
   37    HD1  PHE   6           HD1      PHE   6  -2.789 -11.469  -2.302
   38    HD2  PHE   6           HD2      PHE   6   1.406 -11.820  -3.191
   39    HE1  PHE   6           HE1      PHE   6  -3.042  -9.854  -4.159
   40    HE2  PHE   6           HE2      PHE   6   1.148 -10.212  -5.053
   41    HZ   PHE   6           HZ       PHE   6  -1.077  -9.216  -5.535
   42    H    ILE   7           H        ILE   7  -1.813 -12.473   1.557
   43    HA   ILE   7           HA       ILE   7  -3.302 -10.177   0.960
   44    HB   ILE   7           HB       ILE   7  -3.923 -12.164   2.501
   45   1HG1  ILE   7          1HG1      ILE   7  -5.604 -10.552   2.105
   46   2HG1  ILE   7          2HG1      ILE   7  -5.561 -10.864   3.853
   47   1HG2  ILE   7          1HG2      ILE   7  -3.619 -11.882   4.940
   48   2HG2  ILE   7          2HG2      ILE   7  -2.055 -12.036   4.114
   49   3HG2  ILE   7          3HG2      ILE   7  -2.613 -10.435   4.685
   50   1HD1  ILE   7          1HD1      ILE   7  -5.871  -8.486   3.568
   51   2HD1  ILE   7          2HD1      ILE   7  -4.163  -8.655   4.062
   52   3HD1  ILE   7          3HD1      ILE   7  -4.597  -8.384   2.337
   53    H    SER   8           H        SER   8  -0.380 -10.609   3.140
   54    HA   SER   8           HA       SER   8  -0.546  -7.960   4.198
   55   1HB   SER   8          1HB       SER   8   0.852  -9.726   5.247
   56   2HB   SER   8          2HB       SER   8   1.964  -9.729   3.854
   57    HG   SER   8           HG       SER   8   2.400  -7.449   4.430
   58    H    ASP   9           H        ASP   9   1.397  -9.387   1.414
   59    HA   ASP   9           HA       ASP   9   2.572  -6.935   0.651
   60   1HB   ASP   9          1HB       ASP   9   1.685  -9.251  -1.183
   61   2HB   ASP   9          2HB       ASP   9   2.804  -7.941  -1.641
   62    H    TYR  10           H        TYR  10  -0.734  -8.272  -0.036
   63    HA   TYR  10           HA       TYR  10  -1.292  -6.416  -2.135
   64   1HB   TYR  10          1HB       TYR  10  -2.632  -8.487  -1.841
   65   2HB   TYR  10          2HB       TYR  10  -3.229  -7.919  -0.271
   66    HD1  TYR  10           HD1      TYR  10  -5.014  -6.247  -0.142
   67    HD2  TYR  10           HD2      TYR  10  -3.208  -7.151  -3.944
   68    HE1  TYR  10           HE1      TYR  10  -6.840  -5.057  -1.288
   69    HE2  TYR  10           HE2      TYR  10  -5.042  -5.948  -5.093
   70    HH   TYR  10           HH       TYR  10  -7.827  -4.505  -3.394
   71    H    SER  11           H        SER  11  -2.143  -6.383   1.457
   72    HA   SER  11           HA       SER  11  -3.500  -3.871   1.272
   73   1HB   SER  11          1HB       SER  11  -2.044  -5.158   3.665
   74   2HB   SER  11          2HB       SER  11  -2.960  -3.626   3.758
   75    HG   SER  11           HG       SER  11  -4.154  -6.091   2.949
   76    H    ILE  12           H        ILE  12   0.006  -4.729   1.866
   77    HA   ILE  12           HA       ILE  12   0.789  -2.021   2.369
   78    HB   ILE  12           HB       ILE  12   2.381  -4.368   1.208
   79   1HG1  ILE  12          1HG1      ILE  12   2.506  -2.996   3.979
   80   2HG1  ILE  12          2HG1      ILE  12   1.575  -4.472   3.651
   81   1HG2  ILE  12          1HG2      ILE  12   3.415  -1.577   2.019
   82   2HG2  ILE  12          2HG2      ILE  12   4.448  -2.961   1.558
   83   3HG2  ILE  12          3HG2      ILE  12   3.384  -2.231   0.356
   84   1HD1  ILE  12          1HD1      ILE  12   3.671  -5.143   4.668
   85   2HD1  ILE  12          2HD1      ILE  12   3.717  -5.650   2.955
   86   3HD1  ILE  12          3HD1      ILE  12   4.641  -4.220   3.505
   87    H    ALA  13           H        ALA  13   0.549  -3.980  -0.726
   88    HA   ALA  13           HA       ALA  13   1.586  -1.921  -2.358
   89   1HB   ALA  13          1HB       ALA  13  -0.507  -4.052  -3.128
   90   2HB   ALA  13          2HB       ALA  13   0.447  -3.058  -4.268
   91   3HB   ALA  13          3HB       ALA  13   1.269  -4.242  -3.211
   92    H    MET  14           H        MET  14  -1.898  -2.626  -1.380
   93    HA   MET  14           HA       MET  14  -2.971  -0.575  -3.026
   94   1HB   MET  14          1HB       MET  14  -4.388  -2.321  -1.776
   95   2HB   MET  14          2HB       MET  14  -4.077  -1.409  -0.286
   96   1HG   MET  14          1HG       MET  14  -5.021   0.696  -1.772
   97   2HG   MET  14          2HG       MET  14  -5.732  -0.609  -2.748
   98   1HE   MET  14          1HE       MET  14  -6.809   0.709   1.563
   99   2HE   MET  14          2HE       MET  14  -5.107   0.483   1.045
  100   3HE   MET  14          3HE       MET  14  -6.128   1.734   0.262
  101    H    ASP  15           H        ASP  15  -1.904  -0.571   0.494
  102    HA   ASP  15           HA       ASP  15  -2.472   2.148   0.946
  103   1HB   ASP  15          1HB       ASP  15  -1.827   0.588   2.791
  104   2HB   ASP  15          2HB       ASP  15  -0.172   0.473   2.136
  105    H    LYS  16           H        LYS  16   0.408   0.549  -0.609
  106    HA   LYS  16           HA       LYS  16   2.029   2.883  -0.539
  107   1HB   LYS  16          1HB       LYS  16   2.756   0.408  -1.109
  108   2HB   LYS  16          2HB       LYS  16   2.134   0.740  -2.739
  109   1HG   LYS  16          1HG       LYS  16   4.474   1.143  -2.874
  110   2HG   LYS  16          2HG       LYS  16   3.789   2.786  -2.754
  111   1HD   LYS  16          1HD       LYS  16   4.363   2.786  -0.263
  112   2HD   LYS  16          2HD       LYS  16   4.991   1.123  -0.426
  113   1HE   LYS  16          1HE       LYS  16   6.719   1.950  -2.065
  114   2HE   LYS  16          2HE       LYS  16   6.132   3.624  -1.816
  115   1HZ   LYS  16          1HZ       LYS  16   8.108   3.031  -0.370
  116   2HZ   LYS  16          2HZ       LYS  16   6.696   3.368   0.623
  117    H    ILE  17           H        ILE  17  -0.389   1.612  -2.945
  118    HA   ILE  17           HA       ILE  17   0.165   3.688  -4.892
  119    HB   ILE  17           HB       ILE  17  -2.312   1.930  -4.433
  120   1HG1  ILE  17          1HG1      ILE  17  -0.230   1.825  -6.704
  121   2HG1  ILE  17          2HG1      ILE  17  -0.053   0.876  -5.214
  122   1HG2  ILE  17          1HG2      ILE  17  -3.036   4.058  -5.512
  123   2HG2  ILE  17          2HG2      ILE  17  -1.746   3.893  -6.738
  124   3HG2  ILE  17          3HG2      ILE  17  -3.110   2.738  -6.686
  125   1HD1  ILE  17          1HD1      ILE  17  -2.253  -0.268  -5.644
  126   2HD1  ILE  17          2HD1      ILE  17  -2.374   0.574  -7.217
  127   3HD1  ILE  17          3HD1      ILE  17  -1.037  -0.560  -6.917
  128    H    HIS  18           H        HIS  18  -2.390   3.240  -2.312
  129    HA   HIS  18           HA       HIS  18  -3.614   5.718  -2.825
  130   1HB   HIS  18          1HB       HIS  18  -4.577   3.806  -1.394
  131   2HB   HIS  18          2HB       HIS  18  -3.435   4.288  -0.111
  132    HD1  HIS  18           HD1      HIS  18  -5.526   4.675   1.349
  133    HD2  HIS  18           HD2      HIS  18  -5.275   7.201  -2.012
  134    HE1  HIS  18           HE1      HIS  18  -7.187   6.534   1.745
  135    H    GLN  19           H        GLN  19  -0.666   4.913  -0.912
  136    HA   GLN  19           HA       GLN  19  -0.480   7.070   0.774
  137   1HB   GLN  19          1HB       GLN  19   1.294   5.215   0.502
  138   2HB   GLN  19          2HB       GLN  19   1.815   6.022  -1.001
  139   1HG   GLN  19          1HG       GLN  19   3.352   6.596   0.791
  140   2HG   GLN  19          2HG       GLN  19   2.435   8.055   0.353
  141   1HE2  GLN  19          1HE2      GLN  19   3.552   8.457   2.696
  142   2HE2  GLN  19          2HE2      GLN  19   2.526   8.093   4.036
  143    H    GLN  20           H        GLN  20   0.082   7.026  -2.819
  144    HA   GLN  20           HA       GLN  20   1.144   9.490  -3.266
  145   1HB   GLN  20          1HB       GLN  20   0.356   7.967  -5.111
  146   2HB   GLN  20          2HB       GLN  20  -1.330   8.348  -4.700
  147   1HG   GLN  20          1HG       GLN  20  -0.728  10.865  -5.220
  148   2HG   GLN  20          2HG       GLN  20   0.819  10.250  -5.844
  149   1HE2  GLN  20          1HE2      GLN  20  -2.823   9.884  -6.133
  150   2HE2  GLN  20          2HE2      GLN  20  -2.792   9.485  -7.811
  151    H    ASP  21           H        ASP  21  -2.486   8.935  -2.638
  152    HA   ASP  21           HA       ASP  21  -2.975  11.702  -2.967
  153   1HB   ASP  21          1HB       ASP  21  -5.180  11.418  -2.237
  154   2HB   ASP  21          2HB       ASP  21  -4.788   9.862  -3.009
  155    H    PHE  22           H        PHE  22  -2.081   9.745  -0.040
  156    HA   PHE  22           HA       PHE  22  -2.782  11.800   1.807
  157   1HB   PHE  22          1HB       PHE  22  -2.369   9.401   2.465
  158   2HB   PHE  22          2HB       PHE  22  -0.635   9.613   2.148
  159    HD1  PHE  22           HD1      PHE  22  -3.534  10.862   4.185
  160    HD2  PHE  22           HD2      PHE  22   0.756  10.781   3.822
  161    HE1  PHE  22           HE1      PHE  22  -3.324  11.864   6.436
  162    HE2  PHE  22           HE2      PHE  22   0.959  11.737   6.096
  163    HZ   PHE  22           HZ       PHE  22  -1.077  12.299   7.400
  164    H    VAL  23           H        VAL  23   0.336  10.982   0.095
  165    HA   VAL  23           HA       VAL  23   1.783  13.072   1.481
  166    HB   VAL  23           HB       VAL  23   2.426  11.482  -1.047
  167   1HG1  VAL  23          1HG1      VAL  23   3.546  13.681  -1.284
  168   2HG1  VAL  23          2HG1      VAL  23   4.144  13.608   0.399
  169   3HG1  VAL  23          3HG1      VAL  23   4.759  12.461  -0.827
  170   1HG2  VAL  23          1HG2      VAL  23   2.434  10.302   1.235
  171   2HG2  VAL  23          2HG2      VAL  23   4.034  10.321   0.439
  172   3HG2  VAL  23          3HG2      VAL  23   3.682  11.448   1.780
  173    H    ASN  24           H        ASN  24   0.231  12.818  -1.832
  174    HA   ASN  24           HA       ASN  24   0.836  15.444  -2.638
  175   1HB   ASN  24          1HB       ASN  24  -0.305  13.739  -4.103
  176   2HB   ASN  24          2HB       ASN  24  -1.789  13.914  -3.126
  177   1HD2  ASN  24          1HD2      ASN  24  -2.445  14.354  -5.597
  178   2HD2  ASN  24          2HD2      ASN  24  -2.446  16.021  -6.039
  179    H    TRP  25           H        TRP  25  -1.814  14.205  -0.464
  180    HA   TRP  25           HA       TRP  25  -3.187  16.695  -0.312
  181   1HB   TRP  25          1HB       TRP  25  -4.362  14.709   0.401
  182   2HB   TRP  25          2HB       TRP  25  -3.132  14.315   1.630
  183    HD1  TRP  25           HD1      TRP  25  -6.030  16.787   1.056
  184    HE1  TRP  25           HE1      TRP  25  -6.604  17.863   3.268
  185    HE3  TRP  25           HE3      TRP  25  -2.208  14.854   3.970
  186    HZ2  TRP  25           HZ2      TRP  25  -5.623  18.037   5.824
  187    HZ3  TRP  25           HZ3      TRP  25  -2.031  15.681   6.329
  188    HH2  TRP  25           HH2      TRP  25  -3.716  17.251   7.238
  189    H    LEU  26           H        LEU  26  -0.628  15.266   1.968
  190    HA   LEU  26           HA       LEU  26  -0.821  17.602   3.615
  191   1HB   LEU  26          1HB       LEU  26   1.103  16.913   4.847
  192   2HB   LEU  26          2HB       LEU  26   0.111  15.497   4.468
  193    HG   LEU  26           HG       LEU  26   1.822  15.248   2.412
  194   1HD1  LEU  26          1HD1      LEU  26   3.599  16.709   4.457
  195   2HD1  LEU  26          2HD1      LEU  26   4.141  15.927   2.944
  196   3HD1  LEU  26          3HD1      LEU  26   3.129  17.386   2.878
  197   1HD2  LEU  26          1HD2      LEU  26   1.510  13.537   4.164
  198   2HD2  LEU  26          2HD2      LEU  26   3.244  13.736   3.815
  199   3HD2  LEU  26          3HD2      LEU  26   2.542  14.467   5.291
  200    H    LEU  27           H        LEU  27   1.177  16.867   0.661
  201    HA   LEU  27           HA       LEU  27   2.827  19.210   0.981
  202   1HB   LEU  27          1HB       LEU  27   1.910  17.753  -1.564
  203   2HB   LEU  27          2HB       LEU  27   3.105  19.070  -1.557
  204    HG   LEU  27           HG       LEU  27   3.514  16.425  -0.028
  205   1HD1  LEU  27          1HD1      LEU  27   5.038  15.782  -1.918
  206   2HD1  LEU  27          2HD1      LEU  27   3.366  15.996  -2.495
  207   3HD1  LEU  27          3HD1      LEU  27   4.581  17.268  -2.800
  208   1HD2  LEU  27          1HD2      LEU  27   5.472  18.696  -0.753
  209   2HD2  LEU  27          2HD2      LEU  27   4.935  18.259   0.895
  210   3HD2  LEU  27          3HD2      LEU  27   5.937  17.131  -0.033
  211    H    ALA  28           H        ALA  28  -0.362  18.637  -0.727
  212    HA   ALA  28           HA       ALA  28  -0.585  21.282  -1.704
  213   1HB   ALA  28          1HB       ALA  28  -2.165  19.477  -2.400
  214   2HB   ALA  28          2HB       ALA  28  -2.863  19.424  -0.754
  215   3HB   ALA  28          3HB       ALA  28  -3.057  20.890  -1.758
  216    H    GLN  29           H        GLN  29  -1.612  19.822   1.490
  217    HA   GLN  29           HA       GLN  29  -2.147  22.602   2.509
  218   1HB   GLN  29          1HB       GLN  29  -2.918  19.859   3.671
  219   2HB   GLN  29          2HB       GLN  29  -3.334  21.470   4.324
  220   1HG   GLN  29          1HG       GLN  29  -4.531  21.983   2.116
  221   2HG   GLN  29          2HG       GLN  29  -4.212  20.304   1.596
  222   1HE2  GLN  29          1HE2      GLN  29  -6.788  20.767   1.467
  223   2HE2  GLN  29          2HE2      GLN  29  -7.652  20.228   2.860
  224    H    LYS  30           H        LYS  30   0.355  22.724   2.199
  225    HA   LYS  30           HA       LYS  30   2.038  21.074   3.788
  226   1HB   LYS  30          1HB       LYS  30   2.772  22.656   1.904
  227   2HB   LYS  30          2HB       LYS  30   2.610  24.002   3.064
  228   1HG   LYS  30          1HG       LYS  30   4.294  22.754   4.574
  229   2HG   LYS  30          2HG       LYS  30   4.441  21.528   3.285
  230   1HD   LYS  30          1HD       LYS  30   5.183  23.415   1.683
  231   2HD   LYS  30          2HD       LYS  30   5.143  24.520   3.081
  232   1HE   LYS  30          1HE       LYS  30   7.453  23.833   2.761
  233   2HE   LYS  30          2HE       LYS  30   6.881  22.998   4.228
  234   1HZ   LYS  30          1HZ       LYS  30   6.726  20.891   2.944
  235   2HZ   LYS  30          2HZ       LYS  30   7.080  21.763   1.440
  Start of MODEL   11
    1   1H    TYR   1          1H        TYR   1   0.688 -16.327  -7.394
    2   2H    TYR   1          2H        TYR   1   0.859 -15.079  -8.585
    3   3H    TYR   1          3H        TYR   1   0.131 -14.715  -7.040
    4    HA   TYR   1           HA       TYR   1   3.007 -15.564  -7.484
    5   1HB   TYR   1          1HB       TYR   1   2.552 -13.230  -8.275
    6   2HB   TYR   1          2HB       TYR   1   1.889 -12.803  -6.686
    7    HD1  TYR   1           HD1      TYR   1   3.434 -12.497  -4.747
    8    HD2  TYR   1           HD2      TYR   1   4.971 -13.839  -8.534
    9    HE1  TYR   1           HE1      TYR   1   5.737 -12.064  -3.969
   10    HE2  TYR   1           HE2      TYR   1   7.265 -13.375  -7.771
   11    HH   TYR   1           HH       TYR   1   8.634 -12.538  -6.001
   12    H    ALA   2           H        ALA   2   3.362 -16.988  -5.639
   13    HA   ALA   2           HA       ALA   2   3.269 -17.687  -3.420
   14   1HB   ALA   2          1HB       ALA   2   4.910 -15.798  -3.355
   15   2HB   ALA   2          2HB       ALA   2   3.591 -14.647  -3.003
   16   3HB   ALA   2          3HB       ALA   2   3.992 -15.932  -1.823
   17    H    GLU   3           H        GLU   3   0.814 -18.093  -4.189
   18    HA   GLU   3           HA       GLU   3  -1.140 -16.343  -2.901
   19   1HB   GLU   3          1HB       GLU   3  -1.439 -19.190  -4.013
   20   2HB   GLU   3          2HB       GLU   3  -2.766 -18.190  -3.359
   21   1HG   GLU   3          1HG       GLU   3  -2.346 -16.442  -5.109
   22   2HG   GLU   3          2HG       GLU   3  -0.994 -17.403  -5.760
   23    H    GLY   4           H        GLY   4  -0.026 -16.225  -0.755
   24   1HA   GLY   4          1HA       GLY   4  -1.132 -18.264   1.062
   25   2HA   GLY   4          2HA       GLY   4   0.651 -18.258   0.946
   26    H    THR   5           H        THR   5   1.672 -15.891   1.105
   27    HA   THR   5           HA       THR   5   0.176 -14.336   3.224
   28    HB   THR   5           HB       THR   5   2.419 -13.460   3.813
   29    HG1  THR   5           HG1      THR   5   4.258 -14.391   2.615
   30   1HG2  THR   5          1HG2      THR   5   2.447 -16.549   3.636
   31   2HG2  THR   5          2HG2      THR   5   3.430 -15.549   4.743
   32   3HG2  THR   5          3HG2      THR   5   1.652 -15.596   4.928
   33    H    PHE   6           H        PHE   6  -0.653 -14.174   0.422
   34    HA   PHE   6           HA       PHE   6   0.850 -11.947  -0.725
   35   1HB   PHE   6          1HB       PHE   6  -0.281 -13.716  -2.161
   36   2HB   PHE   6          2HB       PHE   6  -1.858 -13.077  -1.649
   37    HD1  PHE   6           HD1      PHE   6  -2.678 -10.979  -2.692
   38    HD2  PHE   6           HD2      PHE   6   1.414 -12.182  -3.263
   39    HE1  PHE   6           HE1      PHE   6  -2.416  -9.270  -4.465
   40    HE2  PHE   6           HE2      PHE   6   1.686 -10.439  -5.002
   41    HZ   PHE   6           HZ       PHE   6  -0.232  -8.978  -5.603
   42    H    ILE   7           H        ILE   7  -2.341 -12.463   1.013
   43    HA   ILE   7           HA       ILE   7  -3.441 -10.003   0.623
   44    HB   ILE   7           HB       ILE   7  -4.488 -11.768   2.021
   45   1HG1  ILE   7          1HG1      ILE   7  -4.342  -9.033   3.450
   46   2HG1  ILE   7          2HG1      ILE   7  -5.339  -9.414   2.022
   47   1HG2  ILE   7          1HG2      ILE   7  -2.413 -12.320   3.432
   48   2HG2  ILE   7          2HG2      ILE   7  -2.705 -10.817   4.354
   49   3HG2  ILE   7          3HG2      ILE   7  -3.899 -12.144   4.377
   50   1HD1  ILE   7          1HD1      ILE   7  -6.558 -11.183   3.398
   51   2HD1  ILE   7          2HD1      ILE   7  -5.660 -10.621   4.844
   52   3HD1  ILE   7          3HD1      ILE   7  -6.765  -9.513   4.001
   53    H    SER   8           H        SER   8  -0.591 -10.692   2.811
   54    HA   SER   8           HA       SER   8  -0.590  -8.065   3.946
   55   1HB   SER   8          1HB       SER   8   1.803  -9.941   3.450
   56   2HB   SER   8          2HB       SER   8   1.784  -8.504   4.522
   57    HG   SER   8           HG       SER   8   1.260 -10.520   5.695
   58    H    ASP   9           H        ASP   9   1.159  -9.514   1.045
   59    HA   ASP   9           HA       ASP   9   2.449  -7.105   0.313
   60   1HB   ASP   9          1HB       ASP   9   1.397  -9.316  -1.569
   61   2HB   ASP   9          2HB       ASP   9   2.551  -8.034  -2.010
   62    H    TYR  10           H        TYR  10  -0.929  -8.314  -0.448
   63    HA   TYR  10           HA       TYR  10  -1.471  -6.238  -2.323
   64   1HB   TYR  10          1HB       TYR  10  -2.944  -8.257  -2.103
   65   2HB   TYR  10          2HB       TYR  10  -3.459  -7.724  -0.491
   66    HD1  TYR  10           HD1      TYR  10  -3.659  -6.972  -4.133
   67    HD2  TYR  10           HD2      TYR  10  -4.925  -5.731  -0.211
   68    HE1  TYR  10           HE1      TYR  10  -5.374  -5.505  -5.144
   69    HE2  TYR  10           HE2      TYR  10  -6.607  -4.246  -1.219
   70    HH   TYR  10           HH       TYR  10  -7.593  -3.453  -3.242
   71    H    SER  11           H        SER  11  -2.063  -6.486   1.293
   72    HA   SER  11           HA       SER  11  -3.426  -3.974   1.420
   73   1HB   SER  11          1HB       SER  11  -3.530  -5.680   3.244
   74   2HB   SER  11          2HB       SER  11  -1.814  -5.388   3.640
   75    HG   SER  11           HG       SER  11  -2.509  -3.151   4.153
   76    H    ILE  12           H        ILE  12   0.072  -4.913   1.789
   77    HA   ILE  12           HA       ILE  12   0.910  -2.270   2.580
   78    HB   ILE  12           HB       ILE  12   2.448  -4.578   1.271
   79   1HG1  ILE  12          1HG1      ILE  12   2.649  -3.503   4.157
   80   2HG1  ILE  12          2HG1      ILE  12   1.483  -4.765   3.723
   81   1HG2  ILE  12          1HG2      ILE  12   3.538  -1.914   2.369
   82   2HG2  ILE  12          2HG2      ILE  12   4.550  -3.303   1.882
   83   3HG2  ILE  12          3HG2      ILE  12   3.588  -2.450   0.667
   84   1HD1  ILE  12          1HD1      ILE  12   3.339  -6.258   2.921
   85   2HD1  ILE  12          2HD1      ILE  12   4.539  -5.048   3.467
   86   3HD1  ILE  12          3HD1      ILE  12   3.468  -5.835   4.649
   87    H    ALA  13           H        ALA  13   0.716  -3.993  -0.650
   88    HA   ALA  13           HA       ALA  13   1.758  -1.809  -2.136
   89   1HB   ALA  13          1HB       ALA  13  -0.335  -3.894  -3.029
   90   2HB   ALA  13          2HB       ALA  13   0.594  -2.816  -4.114
   91   3HB   ALA  13          3HB       ALA  13   1.442  -4.067  -3.158
   92    H    MET  14           H        MET  14  -1.646  -2.609  -1.070
   93    HA   MET  14           HA       MET  14  -2.880  -0.547  -2.577
   94   1HB   MET  14          1HB       MET  14  -4.188  -2.352  -1.452
   95   2HB   MET  14          2HB       MET  14  -3.730  -1.699   0.145
   96   1HG   MET  14          1HG       MET  14  -4.975   0.434  -0.346
   97   2HG   MET  14          2HG       MET  14  -5.321  -0.146  -2.001
   98   1HE   MET  14          1HE       MET  14  -7.317  -1.786   1.874
   99   2HE   MET  14          2HE       MET  14  -5.610  -2.232   1.587
  100   3HE   MET  14          3HE       MET  14  -6.061  -0.509   1.824
  101    H    ASP  15           H        ASP  15  -1.476  -0.576   0.823
  102    HA   ASP  15           HA       ASP  15  -2.094   2.157   1.328
  103   1HB   ASP  15          1HB       ASP  15  -1.304   0.683   3.157
  104   2HB   ASP  15          2HB       ASP  15   0.282   0.488   2.368
  105    H    LYS  16           H        LYS  16   0.831   0.550  -0.176
  106    HA   LYS  16           HA       LYS  16   2.394   2.847  -0.369
  107   1HB   LYS  16          1HB       LYS  16   3.046   0.379  -1.001
  108   2HB   LYS  16          2HB       LYS  16   2.265   0.696  -2.565
  109   1HG   LYS  16          1HG       LYS  16   4.584   1.051  -2.941
  110   2HG   LYS  16          2HG       LYS  16   3.922   2.702  -2.816
  111   1HD   LYS  16          1HD       LYS  16   4.770   2.823  -0.418
  112   2HD   LYS  16          2HD       LYS  16   5.321   1.129  -0.539
  113   1HE   LYS  16          1HE       LYS  16   6.923   1.796  -2.374
  114   2HE   LYS  16          2HE       LYS  16   6.368   3.490  -2.213
  115   1HZ   LYS  16          1HZ       LYS  16   7.677   1.864   0.001
  116   2HZ   LYS  16          2HZ       LYS  16   8.413   3.173  -0.906
  117    H    ILE  17           H        ILE  17  -0.176   1.614  -2.610
  118    HA   ILE  17           HA       ILE  17   0.263   3.701  -4.582
  119    HB   ILE  17           HB       ILE  17  -2.139   1.874  -4.012
  120   1HG1  ILE  17          1HG1      ILE  17  -0.177   1.804  -6.387
  121   2HG1  ILE  17          2HG1      ILE  17   0.136   0.896  -4.896
  122   1HG2  ILE  17          1HG2      ILE  17  -1.729   3.839  -6.350
  123   2HG2  ILE  17          2HG2      ILE  17  -3.045   2.637  -6.250
  124   3HG2  ILE  17          3HG2      ILE  17  -2.978   3.963  -5.081
  125   1HD1  ILE  17          1HD1      ILE  17  -0.893  -0.611  -6.512
  126   2HD1  ILE  17          2HD1      ILE  17  -2.025  -0.357  -5.156
  127   3HD1  ILE  17          3HD1      ILE  17  -2.301   0.454  -6.727
  128    H    HIS  18           H        HIS  18  -2.111   3.197  -1.840
  129    HA   HIS  18           HA       HIS  18  -3.538   5.533  -2.402
  130   1HB   HIS  18          1HB       HIS  18  -4.288   3.678  -0.802
  131   2HB   HIS  18          2HB       HIS  18  -3.117   4.315   0.384
  132    HD1  HIS  18           HD1      HIS  18  -5.170   4.667   1.916
  133    HD2  HIS  18           HD2      HIS  18  -5.206   7.001  -1.589
  134    HE1  HIS  18           HE1      HIS  18  -6.912   6.454   2.286
  135    H    GLN  19           H        GLN  19  -0.470   5.087  -0.496
  136    HA   GLN  19           HA       GLN  19  -0.409   7.452   0.917
  137   1HB   GLN  19          1HB       GLN  19   1.857   6.058  -0.621
  138   2HB   GLN  19          2HB       GLN  19   2.144   7.563   0.280
  139   1HG   GLN  19          1HG       GLN  19   1.440   6.546   2.412
  140   2HG   GLN  19          2HG       GLN  19   0.977   5.040   1.594
  141   1HE2  GLN  19          1HE2      GLN  19   3.910   7.262   1.947
  142   2HE2  GLN  19          2HE2      GLN  19   5.033   5.954   1.990
  143    H    GLN  20           H        GLN  20   0.017   7.070  -2.687
  144    HA   GLN  20           HA       GLN  20   0.974   9.529  -3.360
  145   1HB   GLN  20          1HB       GLN  20   0.100   7.825  -5.041
  146   2HB   GLN  20          2HB       GLN  20  -1.549   8.293  -4.598
  147   1HG   GLN  20          1HG       GLN  20  -0.488  10.813  -5.258
  148   2HG   GLN  20          2HG       GLN  20   0.525   9.779  -6.272
  149   1HE2  GLN  20          1HE2      GLN  20  -2.962  10.379  -5.295
  150   2HE2  GLN  20          2HE2      GLN  20  -3.606  10.060  -6.863
  151    H    ASP  21           H        ASP  21  -2.569   8.887  -2.434
  152    HA   ASP  21           HA       ASP  21  -3.198  11.632  -2.842
  153   1HB   ASP  21          1HB       ASP  21  -5.333  11.283  -1.949
  154   2HB   ASP  21          2HB       ASP  21  -4.929   9.727  -2.714
  155    H    PHE  22           H        PHE  22  -2.129   9.796   0.124
  156    HA   PHE  22           HA       PHE  22  -2.676  11.952   1.910
  157   1HB   PHE  22          1HB       PHE  22  -2.259   9.705   2.816
  158   2HB   PHE  22          2HB       PHE  22  -0.635   9.668   2.094
  159    HD1  PHE  22           HD1      PHE  22  -2.712  11.881   4.380
  160    HD2  PHE  22           HD2      PHE  22   1.185  10.253   3.535
  161    HE1  PHE  22           HE1      PHE  22  -1.801  13.011   6.380
  162    HE2  PHE  22           HE2      PHE  22   2.059  11.291   5.596
  163    HZ   PHE  22           HZ       PHE  22   0.583  12.704   7.006
  164    H    VAL  23           H        VAL  23   0.306  11.046   0.031
  165    HA   VAL  23           HA       VAL  23   1.895  13.114   1.284
  166    HB   VAL  23           HB       VAL  23   2.334  11.521  -1.303
  167   1HG1  VAL  23          1HG1      VAL  23   3.563  13.676  -1.462
  168   2HG1  VAL  23          2HG1      VAL  23   4.236  13.456   0.180
  169   3HG1  VAL  23          3HG1      VAL  23   4.718  12.360  -1.147
  170   1HG2  VAL  23          1HG2      VAL  23   3.617  11.270   1.496
  171   2HG2  VAL  23          2HG2      VAL  23   2.389  10.157   0.841
  172   3HG2  VAL  23          3HG2      VAL  23   3.991  10.255   0.074
  173    H    ASN  24           H        ASN  24   0.139  12.811  -1.924
  174    HA   ASN  24           HA       ASN  24   0.724  15.433  -2.806
  175   1HB   ASN  24          1HB       ASN  24  -0.424  13.699  -4.218
  176   2HB   ASN  24          2HB       ASN  24  -1.886  13.848  -3.199
  177   1HD2  ASN  24          1HD2      ASN  24  -2.650  14.250  -5.632
  178   2HD2  ASN  24          2HD2      ASN  24  -2.689  15.912  -6.098
  179    H    TRP  25           H        TRP  25  -1.846  14.197  -0.536
  180    HA   TRP  25           HA       TRP  25  -3.280  16.655  -0.431
  181   1HB   TRP  25          1HB       TRP  25  -4.404  14.672   0.369
  182   2HB   TRP  25          2HB       TRP  25  -3.131  14.334   1.569
  183    HD1  TRP  25           HD1      TRP  25  -6.104  16.722   1.038
  184    HE1  TRP  25           HE1      TRP  25  -6.627  17.830   3.245
  185    HE3  TRP  25           HE3      TRP  25  -2.161  14.916   3.873
  186    HZ2  TRP  25           HZ2      TRP  25  -5.534  18.136   5.739
  187    HZ3  TRP  25           HZ3      TRP  25  -1.921  15.803   6.205
  188    HH2  TRP  25           HH2      TRP  25  -3.588  17.385   7.123
  189    H    LEU  26           H        LEU  26  -0.649  15.352   1.833
  190    HA   LEU  26           HA       LEU  26  -0.873  17.709   3.439
  191   1HB   LEU  26          1HB       LEU  26   1.115  17.119   4.626
  192   2HB   LEU  26          2HB       LEU  26   0.133  15.675   4.324
  193    HG   LEU  26           HG       LEU  26   1.793  15.373   2.226
  194   1HD1  LEU  26          1HD1      LEU  26   3.063  17.569   2.647
  195   2HD1  LEU  26          2HD1      LEU  26   3.607  16.887   4.199
  196   3HD1  LEU  26          3HD1      LEU  26   4.103  16.126   2.660
  197   1HD2  LEU  26          1HD2      LEU  26   1.540  13.719   4.001
  198   2HD2  LEU  26          2HD2      LEU  26   3.271  13.933   3.644
  199   3HD2  LEU  26          3HD2      LEU  26   2.566  14.679   5.111
  200    H    LEU  27           H        LEU  27   1.212  16.919   0.532
  201    HA   LEU  27           HA       LEU  27   2.729  19.333   0.718
  202   1HB   LEU  27          1HB       LEU  27   1.820  17.751  -1.759
  203   2HB   LEU  27          2HB       LEU  27   2.972  19.102  -1.832
  204    HG   LEU  27           HG       LEU  27   3.501  16.542  -0.189
  205   1HD1  LEU  27          1HD1      LEU  27   3.292  15.983  -2.624
  206   2HD1  LEU  27          2HD1      LEU  27   4.464  17.270  -3.027
  207   3HD1  LEU  27          3HD1      LEU  27   4.984  15.844  -2.083
  208   1HD2  LEU  27          1HD2      LEU  27   4.878  18.466   0.598
  209   2HD2  LEU  27          2HD2      LEU  27   5.892  17.313  -0.288
  210   3HD2  LEU  27          3HD2      LEU  27   5.370  18.823  -1.084
  211    H    ALA  28           H        ALA  28  -0.466  18.596  -0.884
  212    HA   ALA  28           HA       ALA  28  -0.792  21.200  -1.967
  213   1HB   ALA  28          1HB       ALA  28  -3.240  20.690  -2.007
  214   2HB   ALA  28          2HB       ALA  28  -2.283  19.299  -2.603
  215   3HB   ALA  28          3HB       ALA  28  -2.975  19.267  -0.956
  216    H    GLN  29           H        GLN  29  -1.554  19.843   1.350
  217    HA   GLN  29           HA       GLN  29  -2.372  22.628   2.171
  218   1HB   GLN  29          1HB       GLN  29  -3.153  19.919   3.386
  219   2HB   GLN  29          2HB       GLN  29  -3.735  21.538   3.881
  220   1HG   GLN  29          1HG       GLN  29  -4.711  21.849   1.548
  221   2HG   GLN  29          2HG       GLN  29  -4.237  20.170   1.159
  222   1HE2  GLN  29          1HE2      GLN  29  -6.825  20.474   0.762
  223   2HE2  GLN  29          2HE2      GLN  29  -7.774  19.913   2.090
  224    H    LYS  30           H        LYS  30   0.430  22.143   2.001
  225    HA   LYS  30           HA       LYS  30   0.973  22.826   4.762
  226   1HB   LYS  30          1HB       LYS  30   1.013  20.226   4.810
  227   2HB   LYS  30          2HB       LYS  30   2.424  20.310   3.716
  228   1HG   LYS  30          1HG       LYS  30   3.666  21.657   5.445
  229   2HG   LYS  30          2HG       LYS  30   2.237  21.590   6.516
  230   1HD   LYS  30          1HD       LYS  30   2.399  19.063   6.551
  231   2HD   LYS  30          2HD       LYS  30   3.857  19.159   5.523
  232   1HE   LYS  30          1HE       LYS  30   5.042  20.457   7.326
  233   2HE   LYS  30          2HE       LYS  30   3.561  20.407   8.329
  234   1HZ   LYS  30          1HZ       LYS  30   5.109  17.953   7.416
  235   2HZ   LYS  30          2HZ       LYS  30   5.068  18.619   9.043
  Start of MODEL   12
    1   1H    TYR   1          1H        TYR   1   5.977 -13.203  -3.611
    2   2H    TYR   1          2H        TYR   1   4.721 -14.051  -4.482
    3   3H    TYR   1          3H        TYR   1   6.140 -14.898  -3.951
    4    HA   TYR   1           HA       TYR   1   5.532 -14.549  -1.606
    5   1HB   TYR   1          1HB       TYR   1   3.093 -13.128  -2.834
    6   2HB   TYR   1          2HB       TYR   1   3.055 -13.796  -1.186
    7    HD1  TYR   1           HD1      TYR   1   4.568 -12.940   0.587
    8    HD2  TYR   1           HD2      TYR   1   4.434 -11.086  -3.297
    9    HE1  TYR   1           HE1      TYR   1   5.693 -10.936   1.499
   10    HE2  TYR   1           HE2      TYR   1   5.632  -9.128  -2.406
   11    HH   TYR   1           HH       TYR   1   6.523  -8.069  -0.456
   12    H    ALA   2           H        ALA   2   4.125 -16.142  -0.468
   13    HA   ALA   2           HA       ALA   2   3.359 -18.331  -2.334
   14   1HB   ALA   2          1HB       ALA   2   3.143 -19.687  -0.258
   15   2HB   ALA   2          2HB       ALA   2   4.724 -18.851  -0.285
   16   3HB   ALA   2          3HB       ALA   2   3.399 -18.231   0.745
   17    H    GLU   3           H        GLU   3   1.146 -19.446  -1.827
   18    HA   GLU   3           HA       GLU   3  -0.933 -17.373  -1.617
   19   1HB   GLU   3          1HB       GLU   3  -1.174 -19.324  -3.156
   20   2HB   GLU   3          2HB       GLU   3  -1.207 -20.431  -1.758
   21   1HG   GLU   3          1HG       GLU   3  -3.280 -19.232  -0.894
   22   2HG   GLU   3          2HG       GLU   3  -3.228 -18.150  -2.308
   23    H    GLY   4           H        GLY   4  -0.196 -16.580   0.567
   24   1HA   GLY   4          1HA       GLY   4  -1.586 -17.857   2.737
   25   2HA   GLY   4          2HA       GLY   4   0.148 -18.285   2.801
   26    H    THR   5           H        THR   5   1.648 -16.183   2.264
   27    HA   THR   5           HA       THR   5   0.624 -13.946   4.010
   28    HB   THR   5           HB       THR   5   3.485 -14.692   3.193
   29    HG1  THR   5           HG1      THR   5   3.457 -15.648   5.374
   30   1HG2  THR   5          1HG2      THR   5   4.083 -13.251   5.220
   31   2HG2  THR   5          2HG2      THR   5   3.341 -12.306   3.918
   32   3HG2  THR   5          3HG2      THR   5   2.370 -12.762   5.351
   33    H    PHE   6           H        PHE   6  -0.571 -14.175   1.477
   34    HA   PHE   6           HA       PHE   6   0.993 -12.418  -0.314
   35   1HB   PHE   6          1HB       PHE   6  -0.323 -14.446  -1.147
   36   2HB   PHE   6          2HB       PHE   6  -1.819 -13.555  -0.815
   37    HD1  PHE   6           HD1      PHE   6  -2.081 -11.181  -1.908
   38    HD2  PHE   6           HD2      PHE   6   0.831 -14.072  -3.214
   39    HE1  PHE   6           HE1      PHE   6  -1.673  -9.853  -3.956
   40    HE2  PHE   6           HE2      PHE   6   1.251 -12.730  -5.247
   41    HZ   PHE   6           HZ       PHE   6   0.017 -10.605  -5.613
   42    H    ILE   7           H        ILE   7  -2.215 -12.510   1.447
   43    HA   ILE   7           HA       ILE   7  -3.212 -10.125   0.542
   44    HB   ILE   7           HB       ILE   7  -4.311 -11.846   2.109
   45   1HG1  ILE   7          1HG1      ILE   7  -5.632 -10.014   1.346
   46   2HG1  ILE   7          2HG1      ILE   7  -5.969 -10.376   3.053
   47   1HG2  ILE   7          1HG2      ILE   7  -4.277 -11.427   4.549
   48   2HG2  ILE   7          2HG2      ILE   7  -2.654 -11.835   3.942
   49   3HG2  ILE   7          3HG2      ILE   7  -3.054 -10.147   4.351
   50   1HD1  ILE   7          1HD1      ILE   7  -6.006  -7.984   2.853
   51   2HD1  ILE   7          2HD1      ILE   7  -4.456  -8.346   3.657
   52   3HD1  ILE   7          3HD1      ILE   7  -4.509  -7.931   1.911
   53    H    SER   8           H        SER   8  -0.645 -10.551   3.147
   54    HA   SER   8           HA       SER   8  -0.709  -7.887   4.032
   55   1HB   SER   8          1HB       SER   8   1.658  -8.101   4.647
   56   2HB   SER   8          2HB       SER   8   0.800  -9.619   5.071
   57    HG   SER   8           HG       SER   8   2.847  -9.965   3.848
   58    H    ASP   9           H        ASP   9   1.271  -9.333   1.268
   59    HA   ASP   9           HA       ASP   9   2.396  -6.851   0.564
   60   1HB   ASP   9          1HB       ASP   9   3.009  -7.768  -1.586
   61   2HB   ASP   9          2HB       ASP   9   3.193  -9.034  -0.345
   62    H    TYR  10           H        TYR  10  -0.822  -8.303  -0.357
   63    HA   TYR  10           HA       TYR  10  -1.395  -6.333  -2.326
   64   1HB   TYR  10          1HB       TYR  10  -2.787  -8.403  -2.004
   65   2HB   TYR  10          2HB       TYR  10  -3.421  -7.747  -0.481
   66    HD1  TYR  10           HD1      TYR  10  -4.864  -5.690  -0.476
   67    HD2  TYR  10           HD2      TYR  10  -3.513  -7.448  -4.168
   68    HE1  TYR  10           HE1      TYR  10  -6.524  -4.358  -1.713
   69    HE2  TYR  10           HE2      TYR  10  -5.220  -6.149  -5.401
   70    HH   TYR  10           HH       TYR  10  -7.525  -3.918  -3.839
   71    H    SER  11           H        SER  11  -2.037  -6.402   1.297
   72    HA   SER  11           HA       SER  11  -3.404  -3.905   1.306
   73   1HB   SER  11          1HB       SER  11  -1.735  -5.185   3.554
   74   2HB   SER  11          2HB       SER  11  -2.886  -3.823   3.742
   75    HG   SER  11           HG       SER  11  -3.929  -5.912   4.157
   76    H    ILE  12           H        ILE  12   0.150  -4.723   1.672
   77    HA   ILE  12           HA       ILE  12   0.850  -2.000   2.334
   78    HB   ILE  12           HB       ILE  12   2.542  -4.225   1.072
   79   1HG1  ILE  12          1HG1      ILE  12   1.801  -4.772   3.404
   80   2HG1  ILE  12          2HG1      ILE  12   3.556  -4.576   3.251
   81   1HG2  ILE  12          1HG2      ILE  12   4.538  -2.785   1.770
   82   2HG2  ILE  12          2HG2      ILE  12   3.578  -2.117   0.430
   83   3HG2  ILE  12          3HG2      ILE  12   3.393  -1.440   2.066
   84   1HD1  ILE  12          1HD1      ILE  12   3.399  -2.294   4.318
   85   2HD1  ILE  12          2HD1      ILE  12   1.627  -2.495   4.482
   86   3HD1  ILE  12          3HD1      ILE  12   2.735  -3.578   5.352
   87    H    ALA  13           H        ALA  13   0.728  -3.878  -0.804
   88    HA   ALA  13           HA       ALA  13   1.631  -1.737  -2.412
   89   1HB   ALA  13          1HB       ALA  13   0.396  -2.835  -4.297
   90   2HB   ALA  13          2HB       ALA  13   1.303  -4.040  -3.331
   91   3HB   ALA  13          3HB       ALA  13  -0.470  -3.883  -3.134
   92    H    MET  14           H        MET  14  -1.721  -2.552  -1.181
   93    HA   MET  14           HA       MET  14  -2.987  -0.487  -2.673
   94   1HB   MET  14          1HB       MET  14  -4.205  -2.402  -1.450
   95   2HB   MET  14          2HB       MET  14  -3.815  -1.567   0.071
   96   1HG   MET  14          1HG       MET  14  -5.957  -0.714  -0.253
   97   2HG   MET  14          2HG       MET  14  -5.105   0.522  -1.208
   98   1HE   MET  14          1HE       MET  14  -6.074  -0.681  -4.898
   99   2HE   MET  14          2HE       MET  14  -4.973   0.352  -3.933
  100   3HE   MET  14          3HE       MET  14  -4.615  -1.404  -4.165
  101    H    ASP  15           H        ASP  15  -1.539  -0.527   0.684
  102    HA   ASP  15           HA       ASP  15  -2.269   2.155   1.273
  103   1HB   ASP  15          1HB       ASP  15  -1.403   0.608   3.031
  104   2HB   ASP  15          2HB       ASP  15   0.187   0.555   2.222
  105    H    LYS  16           H        LYS  16   0.591   0.753  -0.497
  106    HA   LYS  16           HA       LYS  16   2.013   3.251  -0.557
  107   1HB   LYS  16          1HB       LYS  16   2.985   0.949  -0.877
  108   2HB   LYS  16          2HB       LYS  16   2.273   0.877  -2.508
  109   1HG   LYS  16          1HG       LYS  16   4.273   3.049  -1.560
  110   2HG   LYS  16          2HG       LYS  16   4.765   1.508  -2.305
  111   1HD   LYS  16          1HD       LYS  16   3.496   2.072  -4.395
  112   2HD   LYS  16          2HD       LYS  16   3.093   3.671  -3.716
  113   1HE   LYS  16          1HE       LYS  16   5.530   4.225  -3.501
  114   2HE   LYS  16          2HE       LYS  16   5.952   2.641  -4.206
  115   1HZ   LYS  16          1HZ       LYS  16   4.810   3.277  -6.299
  116   2HZ   LYS  16          2HZ       LYS  16   4.397   4.849  -5.604
  117    H    ILE  17           H        ILE  17  -0.296   1.599  -2.858
  118    HA   ILE  17           HA       ILE  17  -0.140   3.615  -4.875
  119    HB   ILE  17           HB       ILE  17  -2.426   1.743  -4.049
  120   1HG1  ILE  17          1HG1      ILE  17  -0.719   1.710  -6.613
  121   2HG1  ILE  17          2HG1      ILE  17  -0.183   0.872  -5.146
  122   1HG2  ILE  17          1HG2      ILE  17  -2.341   3.671  -6.446
  123   2HG2  ILE  17          2HG2      ILE  17  -3.570   2.397  -6.209
  124   3HG2  ILE  17          3HG2      ILE  17  -3.478   3.748  -5.069
  125   1HD1  ILE  17          1HD1      ILE  17  -2.788   0.224  -6.659
  126   2HD1  ILE  17          2HD1      ILE  17  -1.292  -0.737  -6.617
  127   3HD1  ILE  17          3HD1      ILE  17  -2.253  -0.534  -5.131
  128    H    HIS  18           H        HIS  18  -2.323   3.291  -1.958
  129    HA   HIS  18           HA       HIS  18  -3.656   5.745  -2.532
  130   1HB   HIS  18          1HB       HIS  18  -4.536   3.909  -0.984
  131   2HB   HIS  18          2HB       HIS  18  -3.283   4.382   0.197
  132    HD1  HIS  18           HD1      HIS  18  -5.058   5.008   1.898
  133    HD2  HIS  18           HD2      HIS  18  -5.376   7.157  -1.707
  134    HE1  HIS  18           HE1      HIS  18  -6.668   6.904   2.354
  135    H    GLN  19           H        GLN  19  -0.580   5.017  -0.800
  136    HA   GLN  19           HA       GLN  19  -0.332   7.278   0.784
  137   1HB   GLN  19          1HB       GLN  19   1.352   5.472   0.784
  138   2HB   GLN  19          2HB       GLN  19   1.856   5.897  -0.880
  139   1HG   GLN  19          1HG       GLN  19   2.704   8.085  -0.145
  140   2HG   GLN  19          2HG       GLN  19   2.182   7.749   1.539
  141   1HE2  GLN  19          1HE2      GLN  19   4.830   8.360   1.311
  142   2HE2  GLN  19          2HE2      GLN  19   5.809   6.939   1.367
  143    H    GLN  20           H        GLN  20   0.211   6.972  -2.812
  144    HA   GLN  20           HA       GLN  20   1.282   9.436  -3.403
  145   1HB   GLN  20          1HB       GLN  20   0.644   7.830  -5.148
  146   2HB   GLN  20          2HB       GLN  20  -1.086   8.012  -4.781
  147   1HG   GLN  20          1HG       GLN  20   0.729  10.267  -5.845
  148   2HG   GLN  20          2HG       GLN  20  -0.323   9.260  -6.867
  149   1HE2  GLN  20          1HE2      GLN  20  -2.818   9.181  -6.003
  150   2HE2  GLN  20          2HE2      GLN  20  -3.423  10.749  -5.624
  151    H    ASP  21           H        ASP  21  -2.274   8.801  -2.735
  152    HA   ASP  21           HA       ASP  21  -2.980  11.547  -3.025
  153   1HB   ASP  21          1HB       ASP  21  -4.384   9.437  -1.286
  154   2HB   ASP  21          2HB       ASP  21  -5.071  10.991  -1.816
  155    H    PHE  22           H        PHE  22  -2.075   9.579  -0.046
  156    HA   PHE  22           HA       PHE  22  -2.641  11.641   1.785
  157   1HB   PHE  22          1HB       PHE  22  -2.098   9.367   2.593
  158   2HB   PHE  22          2HB       PHE  22  -0.457   9.480   1.916
  159    HD1  PHE  22           HD1      PHE  22  -2.751  11.355   4.279
  160    HD2  PHE  22           HD2      PHE  22   1.302  10.205   3.372
  161    HE1  PHE  22           HE1      PHE  22  -1.969  12.449   6.356
  162    HE2  PHE  22           HE2      PHE  22   2.055  11.194   5.506
  163    HZ   PHE  22           HZ       PHE  22   0.433  12.355   6.985
  164    H    VAL  23           H        VAL  23   0.440  10.997  -0.085
  165    HA   VAL  23           HA       VAL  23   1.838  13.108   1.313
  166    HB   VAL  23           HB       VAL  23   2.469  11.662  -1.309
  167   1HG1  VAL  23          1HG1      VAL  23   4.132  13.780   0.204
  168   2HG1  VAL  23          2HG1      VAL  23   4.757  12.742  -1.111
  169   3HG1  VAL  23          3HG1      VAL  23   3.473  13.926  -1.451
  170   1HG2  VAL  23          1HG2      VAL  23   4.201  10.531   0.058
  171   2HG2  VAL  23          2HG2      VAL  23   3.790  11.528   1.483
  172   3HG2  VAL  23          3HG2      VAL  23   2.623  10.331   0.869
  173    H    ASN  24           H        ASN  24   0.305  12.895  -2.025
  174    HA   ASN  24           HA       ASN  24   0.759  15.574  -2.721
  175   1HB   ASN  24          1HB       ASN  24  -0.276  13.909  -4.251
  176   2HB   ASN  24          2HB       ASN  24  -1.762  13.886  -3.255
  177   1HD2  ASN  24          1HD2      ASN  24  -2.558  14.387  -5.641
  178   2HD2  ASN  24          2HD2      ASN  24  -2.688  16.064  -6.024
  179    H    TRP  25           H        TRP  25  -1.808  14.172  -0.551
  180    HA   TRP  25           HA       TRP  25  -3.263  16.614  -0.310
  181   1HB   TRP  25          1HB       TRP  25  -4.363  14.568   0.334
  182   2HB   TRP  25          2HB       TRP  25  -3.120  14.171   1.548
  183    HD1  TRP  25           HD1      TRP  25  -6.099  16.571   1.057
  184    HE1  TRP  25           HE1      TRP  25  -6.671  17.596   3.289
  185    HE3  TRP  25           HE3      TRP  25  -2.193  14.687   3.895
  186    HZ2  TRP  25           HZ2      TRP  25  -5.647  17.778   5.830
  187    HZ3  TRP  25           HZ3      TRP  25  -2.009  15.478   6.266
  188    HH2  TRP  25           HH2      TRP  25  -3.715  17.000   7.214
  189    H    LEU  26           H        LEU  26  -0.612  15.182   1.873
  190    HA   LEU  26           HA       LEU  26  -0.893  17.429   3.623
  191   1HB   LEU  26          1HB       LEU  26   1.020  16.729   4.851
  192   2HB   LEU  26          2HB       LEU  26   0.134  15.287   4.333
  193    HG   LEU  26           HG       LEU  26   1.934  15.317   2.319
  194   1HD1  LEU  26          1HD1      LEU  26   3.511  16.752   4.543
  195   2HD1  LEU  26          2HD1      LEU  26   4.170  16.136   3.002
  196   3HD1  LEU  26          3HD1      LEU  26   3.046  17.511   3.003
  197   1HD2  LEU  26          1HD2      LEU  26   3.420  13.818   3.668
  198   2HD2  LEU  26          2HD2      LEU  26   2.603  14.370   5.160
  199   3HD2  LEU  26          3HD2      LEU  26   1.694  13.465   3.915
  200    H    LEU  27           H        LEU  27   1.153  16.873   0.655
  201    HA   LEU  27           HA       LEU  27   2.711  19.259   1.072
  202   1HB   LEU  27          1HB       LEU  27   1.873  17.888  -1.551
  203   2HB   LEU  27          2HB       LEU  27   3.068  19.200  -1.444
  204    HG   LEU  27           HG       LEU  27   3.416  16.439  -0.100
  205   1HD1  LEU  27          1HD1      LEU  27   5.042  15.976  -1.947
  206   2HD1  LEU  27          2HD1      LEU  27   3.411  16.265  -2.604
  207   3HD1  LEU  27          3HD1      LEU  27   4.650  17.549  -2.697
  208   1HD2  LEU  27          1HD2      LEU  27   4.766  18.165   1.090
  209   2HD2  LEU  27          2HD2      LEU  27   5.828  17.140   0.112
  210   3HD2  LEU  27          3HD2      LEU  27   5.396  18.772  -0.469
  211    H    ALA  28           H        ALA  28  -0.416  18.598  -0.697
  212    HA   ALA  28           HA       ALA  28  -0.774  21.237  -1.611
  213   1HB   ALA  28          1HB       ALA  28  -3.230  20.728  -1.653
  214   2HB   ALA  28          2HB       ALA  28  -2.277  19.371  -2.325
  215   3HB   ALA  28          3HB       ALA  28  -2.953  19.260  -0.673
  216    H    GLN  29           H        GLN  29  -1.518  19.722   1.636
  217    HA   GLN  29           HA       GLN  29  -2.252  22.475   2.625
  218   1HB   GLN  29          1HB       GLN  29  -3.030  19.718   3.737
  219   2HB   GLN  29          2HB       GLN  29  -3.567  21.320   4.327
  220   1HG   GLN  29          1HG       GLN  29  -4.608  21.754   2.034
  221   2HG   GLN  29          2HG       GLN  29  -4.174  20.087   1.556
  222   1HE2  GLN  29          1HE2      GLN  29  -6.757  20.469   1.232
  223   2HE2  GLN  29          2HE2      GLN  29  -7.693  19.866   2.548
  224    H    LYS  30           H        LYS  30   0.483  21.957   2.238
  225    HA   LYS  30           HA       LYS  30   2.441  22.090   3.391
  226   1HB   LYS  30          1HB       LYS  30   0.498  23.561   4.921
  227   2HB   LYS  30          2HB       LYS  30   1.386  22.597   6.113
  228   1HG   LYS  30          1HG       LYS  30   2.536  24.695   5.938
  229   2HG   LYS  30          2HG       LYS  30   3.565  23.525   5.076
  230   1HD   LYS  30          1HD       LYS  30   2.439  24.368   2.869
  231   2HD   LYS  30          2HD       LYS  30   1.621  25.602   3.851
  232   1HE   LYS  30          1HE       LYS  30   4.676  25.266   3.515
  233   2HE   LYS  30          2HE       LYS  30   3.660  26.506   2.736
  234   1HZ   LYS  30          1HZ       LYS  30   3.094  27.398   5.017
  235   2HZ   LYS  30          2HZ       LYS  30   4.350  26.328   5.682
  Start of MODEL   13
    1   1H    TYR   1          1H        TYR   1  -0.385 -22.469  -5.522
    2   2H    TYR   1          2H        TYR   1   0.932 -22.199  -6.605
    3   3H    TYR   1          3H        TYR   1  -0.465 -21.155  -6.667
    4    HA   TYR   1           HA       TYR   1   1.513 -21.365  -4.387
    5   1HB   TYR   1          1HB       TYR   1   2.157 -20.093  -6.565
    6   2HB   TYR   1          2HB       TYR   1   0.962 -18.873  -6.107
    7    HD1  TYR   1           HD1      TYR   1   4.391 -19.720  -5.838
    8    HD2  TYR   1           HD2      TYR   1   1.166 -18.131  -3.481
    9    HE1  TYR   1           HE1      TYR   1   6.014 -18.691  -4.296
   10    HE2  TYR   1           HE2      TYR   1   2.781 -17.199  -1.879
   11    HH   TYR   1           HH       TYR   1   5.094 -16.821  -1.398
   12    H    ALA   2           H        ALA   2   0.009 -21.507  -2.558
   13    HA   ALA   2           HA       ALA   2  -2.632 -20.611  -2.779
   14   1HB   ALA   2          1HB       ALA   2  -1.922 -22.198  -0.989
   15   2HB   ALA   2          2HB       ALA   2  -0.998 -20.893  -0.184
   16   3HB   ALA   2          3HB       ALA   2  -2.782 -20.798  -0.281
   17    H    GLU   3           H        GLU   3  -3.781 -18.730  -1.783
   18    HA   GLU   3           HA       GLU   3  -2.095 -16.286  -1.956
   19   1HB   GLU   3          1HB       GLU   3  -4.313 -16.537  -3.169
   20   2HB   GLU   3          2HB       GLU   3  -5.132 -16.581  -1.588
   21   1HG   GLU   3          1HG       GLU   3  -4.132 -14.248  -1.102
   22   2HG   GLU   3          2HG       GLU   3  -3.456 -14.263  -2.755
   23    H    GLY   4           H        GLY   4  -0.948 -17.292   0.147
   24   1HA   GLY   4          1HA       GLY   4  -2.637 -17.081   2.584
   25   2HA   GLY   4          2HA       GLY   4  -0.980 -17.681   2.488
   26    H    THR   5           H        THR   5   0.831 -16.072   2.327
   27    HA   THR   5           HA       THR   5   0.214 -13.702   3.883
   28    HB   THR   5           HB       THR   5   2.656 -13.106   3.429
   29    HG1  THR   5           HG1      THR   5   2.848 -14.255   1.345
   30   1HG2  THR   5          1HG2      THR   5   2.155 -15.983   4.430
   31   2HG2  THR   5          2HG2      THR   5   3.613 -14.996   4.726
   32   3HG2  THR   5          3HG2      THR   5   2.043 -14.499   5.419
   33    H    PHE   6           H        PHE   6   0.126 -14.349   0.372
   34    HA   PHE   6           HA       PHE   6   0.715 -11.960  -0.732
   35   1HB   PHE   6          1HB       PHE   6  -1.543 -13.916  -1.225
   36   2HB   PHE   6          2HB       PHE   6  -1.826 -12.309  -1.896
   37    HD1  PHE   6           HD1      PHE   6   0.394 -15.282  -2.163
   38    HD2  PHE   6           HD2      PHE   6  -0.404 -11.298  -3.594
   39    HE1  PHE   6           HE1      PHE   6   1.854 -15.674  -4.130
   40    HE2  PHE   6           HE2      PHE   6   1.049 -11.706  -5.552
   41    HZ   PHE   6           HZ       PHE   6   2.177 -13.904  -5.826
   42    H    ILE   7           H        ILE   7  -2.341 -12.498   1.215
   43    HA   ILE   7           HA       ILE   7  -3.463 -10.081   0.639
   44    HB   ILE   7           HB       ILE   7  -4.546 -11.789   2.121
   45   1HG1  ILE   7          1HG1      ILE   7  -5.732 -10.251   3.682
   46   2HG1  ILE   7          2HG1      ILE   7  -4.545  -8.964   3.366
   47   1HG2  ILE   7          1HG2      ILE   7  -2.848 -10.616   4.418
   48   2HG2  ILE   7          2HG2      ILE   7  -4.069 -11.906   4.537
   49   3HG2  ILE   7          3HG2      ILE   7  -2.553 -12.206   3.659
   50   1HD1  ILE   7          1HD1      ILE   7  -6.747  -8.745   2.090
   51   2HD1  ILE   7          2HD1      ILE   7  -5.343  -8.773   1.008
   52   3HD1  ILE   7          3HD1      ILE   7  -6.350 -10.242   1.201
   53    H    SER   8           H        SER   8  -0.693 -10.627   2.932
   54    HA   SER   8           HA       SER   8  -0.698  -7.981   3.974
   55   1HB   SER   8          1HB       SER   8   1.748  -9.792   3.503
   56   2HB   SER   8          2HB       SER   8   1.654  -8.398   4.611
   57    HG   SER   8           HG       SER   8  -0.013  -9.683   5.767
   58    H    ASP   9           H        ASP   9   1.128  -9.420   1.074
   59    HA   ASP   9           HA       ASP   9   2.333  -6.914   0.501
   60   1HB   ASP   9          1HB       ASP   9   2.905  -7.723  -1.712
   61   2HB   ASP   9          2HB       ASP   9   3.212  -8.985  -0.493
   62    H    TYR  10           H        TYR  10  -0.921  -8.253  -0.392
   63    HA   TYR  10           HA       TYR  10  -1.500  -6.182  -2.282
   64   1HB   TYR  10          1HB       TYR  10  -2.957  -8.184  -2.111
   65   2HB   TYR  10          2HB       TYR  10  -3.413  -7.752  -0.448
   66    HD1  TYR  10           HD1      TYR  10  -5.010  -5.940   0.003
   67    HD2  TYR  10           HD2      TYR  10  -3.667  -6.673  -4.021
   68    HE1  TYR  10           HE1      TYR  10  -6.783  -4.462  -0.852
   69    HE2  TYR  10           HE2      TYR  10  -5.458  -5.195  -4.881
   70    HH   TYR  10           HH       TYR  10  -7.870  -3.591  -2.797
   71    H    SER  11           H        SER  11  -2.009  -6.450   1.347
   72    HA   SER  11           HA       SER  11  -3.358  -3.951   1.551
   73   1HB   SER  11          1HB       SER  11  -1.577  -5.315   3.662
   74   2HB   SER  11          2HB       SER  11  -2.830  -4.081   3.976
   75    HG   SER  11           HG       SER  11  -4.370  -5.716   3.124
   76    H    ILE  12           H        ILE  12   0.181  -4.819   1.650
   77    HA   ILE  12           HA       ILE  12   0.982  -2.154   2.459
   78    HB   ILE  12           HB       ILE  12   2.545  -4.404   1.085
   79   1HG1  ILE  12          1HG1      ILE  12   2.744  -3.351   3.981
   80   2HG1  ILE  12          2HG1      ILE  12   1.672  -4.691   3.536
   81   1HG2  ILE  12          1HG2      ILE  12   3.586  -1.722   2.196
   82   2HG2  ILE  12          2HG2      ILE  12   4.620  -3.061   1.627
   83   3HG2  ILE  12          3HG2      ILE  12   3.578  -2.212   0.479
   84   1HD1  ILE  12          1HD1      ILE  12   3.730  -5.632   4.431
   85   2HD1  ILE  12          2HD1      ILE  12   3.634  -6.023   2.694
   86   3HD1  ILE  12          3HD1      ILE  12   4.738  -4.739   3.271
   87    H    ALA  13           H        ALA  13   0.809  -3.897  -0.769
   88    HA   ALA  13           HA       ALA  13   1.685  -1.706  -2.306
   89   1HB   ALA  13          1HB       ALA  13  -0.450  -3.804  -3.073
   90   2HB   ALA  13          2HB       ALA  13   0.401  -2.719  -4.212
   91   3HB   ALA  13          3HB       ALA  13   1.315  -3.966  -3.310
   92    H    MET  14           H        MET  14  -1.679  -2.557  -1.129
   93    HA   MET  14           HA       MET  14  -2.992  -0.448  -2.471
   94   1HB   MET  14          1HB       MET  14  -4.273  -2.221  -1.310
   95   2HB   MET  14          2HB       MET  14  -3.648  -1.686   0.273
   96   1HG   MET  14          1HG       MET  14  -4.795   0.529   0.022
   97   2HG   MET  14          2HG       MET  14  -5.410   0.036  -1.588
   98   1HE   MET  14          1HE       MET  14  -7.086   1.013   1.148
   99   2HE   MET  14          2HE       MET  14  -7.805   0.783  -0.482
  100   3HE   MET  14          3HE       MET  14  -8.524  -0.036   0.942
  101    H    ASP  15           H        ASP  15  -1.414  -0.513   0.859
  102    HA   ASP  15           HA       ASP  15  -2.095   2.173   1.450
  103   1HB   ASP  15          1HB       ASP  15  -1.167   0.708   3.210
  104   2HB   ASP  15          2HB       ASP  15   0.389   0.589   2.356
  105    H    LYS  16           H        LYS  16   0.938   0.806  -0.093
  106    HA   LYS  16           HA       LYS  16   2.226   3.294  -0.326
  107   1HB   LYS  16          1HB       LYS  16   3.297   1.049  -0.684
  108   2HB   LYS  16          2HB       LYS  16   2.446   0.884  -2.233
  109   1HG   LYS  16          1HG       LYS  16   3.597   2.810  -3.185
  110   2HG   LYS  16          2HG       LYS  16   4.360   3.252  -1.638
  111   1HD   LYS  16          1HD       LYS  16   4.895   0.490  -2.861
  112   2HD   LYS  16          2HD       LYS  16   5.750   1.918  -3.492
  113   1HE   LYS  16          1HE       LYS  16   7.095   0.711  -1.805
  114   2HE   LYS  16          2HE       LYS  16   6.795   2.404  -1.341
  115   1HZ   LYS  16          1HZ       LYS  16   6.515   0.524   0.472
  116   2HZ   LYS  16          2HZ       LYS  16   5.297   1.755   0.382
  117    H    ILE  17           H        ILE  17  -0.152   1.694  -2.568
  118    HA   ILE  17           HA       ILE  17   0.115   3.709  -4.627
  119    HB   ILE  17           HB       ILE  17  -2.193   1.820  -3.900
  120   1HG1  ILE  17          1HG1      ILE  17  -0.343   1.765  -6.365
  121   2HG1  ILE  17          2HG1      ILE  17   0.093   0.924  -4.867
  122   1HG2  ILE  17          1HG2      ILE  17  -3.223   2.471  -6.117
  123   2HG2  ILE  17          2HG2      ILE  17  -3.172   3.831  -4.985
  124   3HG2  ILE  17          3HG2      ILE  17  -1.970   3.730  -6.303
  125   1HD1  ILE  17          1HD1      ILE  17  -2.410   0.302  -6.549
  126   2HD1  ILE  17          2HD1      ILE  17  -0.939  -0.684  -6.382
  127   3HD1  ILE  17          3HD1      ILE  17  -2.009  -0.446  -4.974
  128    H    HIS  18           H        HIS  18  -2.098   3.288  -1.747
  129    HA   HIS  18           HA       HIS  18  -3.568   5.626  -2.290
  130   1HB   HIS  18          1HB       HIS  18  -4.218   3.790  -0.623
  131   2HB   HIS  18          2HB       HIS  18  -2.982   4.440   0.488
  132    HD1  HIS  18           HD1      HIS  18  -5.020   4.704   2.087
  133    HD2  HIS  18           HD2      HIS  18  -5.104   7.159  -1.327
  134    HE1  HIS  18           HE1      HIS  18  -6.730   6.508   2.564
  135    H    GLN  19           H        GLN  19  -0.352   5.189  -0.666
  136    HA   GLN  19           HA       GLN  19  -0.243   7.650   0.666
  137   1HB   GLN  19          1HB       GLN  19   2.013   6.148  -0.774
  138   2HB   GLN  19          2HB       GLN  19   2.290   7.631   0.161
  139   1HG   GLN  19          1HG       GLN  19   1.441   6.613   2.232
  140   2HG   GLN  19          2HG       GLN  19   1.078   5.088   1.386
  141   1HE2  GLN  19          1HE2      GLN  19   2.704   4.830   3.569
  142   2HE2  GLN  19          2HE2      GLN  19   4.335   4.568   3.070
  143    H    GLN  20           H        GLN  20  -0.012   6.989  -2.906
  144    HA   GLN  20           HA       GLN  20   1.081   9.404  -3.717
  145   1HB   GLN  20          1HB       GLN  20   0.347   7.663  -5.308
  146   2HB   GLN  20          2HB       GLN  20  -1.363   7.969  -4.934
  147   1HG   GLN  20          1HG       GLN  20   0.584  10.032  -6.168
  148   2HG   GLN  20          2HG       GLN  20  -0.563   9.046  -7.101
  149   1HE2  GLN  20          1HE2      GLN  20  -3.023   9.208  -6.243
  150   2HE2  GLN  20          2HE2      GLN  20  -3.512  10.824  -5.904
  151    H    ASP  21           H        ASP  21  -2.460   8.823  -2.860
  152    HA   ASP  21           HA       ASP  21  -3.081  11.612  -3.130
  153   1HB   ASP  21          1HB       ASP  21  -4.513   9.521  -1.398
  154   2HB   ASP  21          2HB       ASP  21  -5.159  11.116  -1.847
  155    H    PHE  22           H        PHE  22  -2.063   9.574  -0.247
  156    HA   PHE  22           HA       PHE  22  -2.764  11.580   1.624
  157   1HB   PHE  22          1HB       PHE  22  -2.139   9.105   2.131
  158   2HB   PHE  22          2HB       PHE  22  -0.438   9.624   2.090
  159    HD1  PHE  22           HD1      PHE  22   0.327  11.457   3.718
  160    HD2  PHE  22           HD2      PHE  22  -3.560   9.625   4.015
  161    HE1  PHE  22           HE1      PHE  22   0.056  12.388   5.998
  162    HE2  PHE  22           HE2      PHE  22  -3.787  10.482   6.322
  163    HZ   PHE  22           HZ       PHE  22  -1.993  11.888   7.312
  164    H    VAL  23           H        VAL  23   0.393  10.912  -0.062
  165    HA   VAL  23           HA       VAL  23   1.780  13.007   1.364
  166    HB   VAL  23           HB       VAL  23   2.470  11.568  -1.258
  167   1HG1  VAL  23          1HG1      VAL  23   4.149  13.558   0.403
  168   2HG1  VAL  23          2HG1      VAL  23   4.780  12.550  -0.931
  169   3HG1  VAL  23          3HG1      VAL  23   3.565  13.805  -1.267
  170   1HG2  VAL  23          1HG2      VAL  23   2.498  10.124   0.849
  171   2HG2  VAL  23          2HG2      VAL  23   4.122  10.348   0.157
  172   3HG2  VAL  23          3HG2      VAL  23   3.627  11.284   1.595
  173    H    ASN  24           H        ASN  24   0.183  12.746  -1.940
  174    HA   ASN  24           HA       ASN  24   0.714  15.402  -2.727
  175   1HB   ASN  24          1HB       ASN  24  -0.391  13.717  -4.200
  176   2HB   ASN  24          2HB       ASN  24  -1.865  13.795  -3.189
  177   1HD2  ASN  24          1HD2      ASN  24  -2.646  14.260  -5.593
  178   2HD2  ASN  24          2HD2      ASN  24  -2.706  15.932  -6.017
  179    H    TRP  25           H        TRP  25  -1.790  14.085  -0.425
  180    HA   TRP  25           HA       TRP  25  -3.213  16.550  -0.232
  181   1HB   TRP  25          1HB       TRP  25  -4.323  14.537   0.515
  182   2HB   TRP  25          2HB       TRP  25  -3.068  14.188   1.727
  183    HD1  TRP  25           HD1      TRP  25  -6.013  16.596   1.153
  184    HE1  TRP  25           HE1      TRP  25  -6.524  17.776   3.323
  185    HE3  TRP  25           HE3      TRP  25  -2.071  14.848   4.031
  186    HZ2  TRP  25           HZ2      TRP  25  -5.444  18.109   5.826
  187    HZ3  TRP  25           HZ3      TRP  25  -1.834  15.782   6.340
  188    HH2  TRP  25           HH2      TRP  25  -3.498  17.386   7.225
  189    H    LEU  26           H        LEU  26  -0.545  15.176   1.977
  190    HA   LEU  26           HA       LEU  26  -0.731  17.495   3.620
  191   1HB   LEU  26          1HB       LEU  26   1.303  16.887   4.735
  192   2HB   LEU  26          2HB       LEU  26   0.347  15.436   4.395
  193    HG   LEU  26           HG       LEU  26   1.947  15.237   2.260
  194   1HD1  LEU  26          1HD1      LEU  26   4.260  16.064   2.624
  195   2HD1  LEU  26          2HD1      LEU  26   3.168  17.459   2.584
  196   3HD1  LEU  26          3HD1      LEU  26   3.766  16.857   4.145
  197   1HD2  LEU  26          1HD2      LEU  26   2.931  14.590   5.095
  198   2HD2  LEU  26          2HD2      LEU  26   1.866  13.562   4.094
  199   3HD2  LEU  26          3HD2      LEU  26   3.549  13.846   3.590
  200    H    LEU  27           H        LEU  27   1.111  16.879   0.560
  201    HA   LEU  27           HA       LEU  27   2.627  19.322   0.762
  202   1HB   LEU  27          1HB       LEU  27   1.662  17.777  -1.708
  203   2HB   LEU  27          2HB       LEU  27   2.779  19.156  -1.782
  204    HG   LEU  27           HG       LEU  27   3.414  16.561  -0.233
  205   1HD1  LEU  27          1HD1      LEU  27   4.874  15.965  -2.185
  206   2HD1  LEU  27          2HD1      LEU  27   3.165  16.063  -2.673
  207   3HD1  LEU  27          3HD1      LEU  27   4.281  17.399  -3.070
  208   1HD2  LEU  27          1HD2      LEU  27   4.782  18.494   0.578
  209   2HD2  LEU  27          2HD2      LEU  27   5.791  17.397  -0.376
  210   3HD2  LEU  27          3HD2      LEU  27   5.206  18.916  -1.105
  211    H    ALA  28           H        ALA  28  -0.605  18.517  -0.748
  212    HA   ALA  28           HA       ALA  28  -1.093  21.107  -1.735
  213   1HB   ALA  28          1HB       ALA  28  -3.526  20.558  -1.601
  214   2HB   ALA  28          2HB       ALA  28  -2.604  19.165  -2.244
  215   3HB   ALA  28          3HB       ALA  28  -3.177  19.157  -0.550
  216    H    GLN  29           H        GLN  29  -1.580  19.707   1.607
  217    HA   GLN  29           HA       GLN  29  -2.475  22.412   2.540
  218   1HB   GLN  29          1HB       GLN  29  -2.424  19.752   4.075
  219   2HB   GLN  29          2HB       GLN  29  -3.206  21.283   4.554
  220   1HG   GLN  29          1HG       GLN  29  -3.985  19.376   2.260
  221   2HG   GLN  29          2HG       GLN  29  -4.925  19.757   3.719
  222   1HE2  GLN  29          1HE2      GLN  29  -5.558  20.134   0.664
  223   2HE2  GLN  29          2HE2      GLN  29  -6.072  21.778   0.617
  224    H    LYS  30           H        LYS  30  -0.034  22.831   1.750
  225    HA   LYS  30           HA       LYS  30   2.046  23.500   2.453
  226   1HB   LYS  30          1HB       LYS  30   0.983  23.135   5.315
  227   2HB   LYS  30          2HB       LYS  30   2.557  23.802   4.849
  228   1HG   LYS  30          1HG       LYS  30   1.039  25.621   5.353
  229   2HG   LYS  30          2HG       LYS  30   1.449  25.667   3.619
  230   1HD   LYS  30          1HD       LYS  30  -0.784  24.802   3.014
  231   2HD   LYS  30          2HD       LYS  30  -1.139  24.389   4.716
  232   1HE   LYS  30          1HE       LYS  30  -2.356  26.413   4.031
  233   2HE   LYS  30          2HE       LYS  30  -1.166  26.845   5.287
  234   1HZ   LYS  30          1HZ       LYS  30  -1.296  28.415   3.270
  235   2HZ   LYS  30          2HZ       LYS  30   0.306  27.801   3.567
  Start of MODEL   14
    1   1H    TYR   1          1H        TYR   1   0.410 -24.562  -3.026
    2   2H    TYR   1          2H        TYR   1  -0.374 -23.277  -3.914
    3   3H    TYR   1          3H        TYR   1  -1.325 -24.436  -3.056
    4    HA   TYR   1           HA       TYR   1  -0.519 -23.659  -0.914
    5   1HB   TYR   1          1HB       TYR   1   0.968 -21.667  -0.707
    6   2HB   TYR   1          2HB       TYR   1   1.782 -22.988  -1.560
    7    HD1  TYR   1           HD1      TYR   1   0.132 -19.663  -1.976
    8    HD2  TYR   1           HD2      TYR   1   2.356 -22.764  -3.961
    9    HE1  TYR   1           HE1      TYR   1   0.554 -18.141  -3.861
   10    HE2  TYR   1           HE2      TYR   1   2.775 -21.237  -5.859
   11    HH   TYR   1           HH       TYR   1   1.649 -17.852  -5.967
   12    H    ALA   2           H        ALA   2  -1.416 -21.600   0.184
   13    HA   ALA   2           HA       ALA   2  -3.581 -20.446  -1.572
   14   1HB   ALA   2          1HB       ALA   2  -3.535 -20.952   1.466
   15   2HB   ALA   2          2HB       ALA   2  -4.922 -20.337   0.521
   16   3HB   ALA   2          3HB       ALA   2  -4.336 -22.005   0.263
   17    H    GLU   3           H        GLU   3  -4.357 -18.235  -0.594
   18    HA   GLU   3           HA       GLU   3  -2.031 -16.512  -0.552
   19   1HB   GLU   3          1HB       GLU   3  -3.629 -14.640  -0.062
   20   2HB   GLU   3          2HB       GLU   3  -3.923 -15.497  -1.591
   21   1HG   GLU   3          1HG       GLU   3  -5.556 -16.231   0.914
   22   2HG   GLU   3          2HG       GLU   3  -5.967 -14.809  -0.065
   23    H    GLY   4           H        GLY   4  -0.881 -17.621   1.322
   24   1HA   GLY   4          1HA       GLY   4  -2.091 -17.431   3.950
   25   2HA   GLY   4          2HA       GLY   4  -0.385 -17.774   3.605
   26    H    THR   5           H        THR   5   0.971 -15.820   2.728
   27    HA   THR   5           HA       THR   5   0.121 -13.350   4.238
   28    HB   THR   5           HB       THR   5   2.941 -14.290   3.519
   29    HG1  THR   5           HG1      THR   5   2.871 -15.182   5.725
   30   1HG2  THR   5          1HG2      THR   5   3.580 -12.812   5.497
   31   2HG2  THR   5          2HG2      THR   5   2.842 -11.856   4.199
   32   3HG2  THR   5          3HG2      THR   5   1.880 -12.291   5.643
   33    H    PHE   6           H        PHE   6  -0.768 -14.104   1.443
   34    HA   PHE   6           HA       PHE   6   0.768 -12.200  -0.200
   35   1HB   PHE   6          1HB       PHE   6  -1.360 -14.189  -0.796
   36   2HB   PHE   6          2HB       PHE   6  -1.756 -12.618  -1.487
   37    HD1  PHE   6           HD1      PHE   6   0.599 -15.467  -1.599
   38    HD2  PHE   6           HD2      PHE   6  -0.220 -11.519  -3.107
   39    HE1  PHE   6           HE1      PHE   6   2.165 -15.856  -3.478
   40    HE2  PHE   6           HE2      PHE   6   1.365 -11.902  -4.969
   41    HZ   PHE   6           HZ       PHE   6   2.550 -14.077  -5.167
   42    H    ILE   7           H        ILE   7  -2.508 -12.405   1.415
   43    HA   ILE   7           HA       ILE   7  -3.442  -9.975   0.729
   44    HB   ILE   7           HB       ILE   7  -4.668 -11.551   2.236
   45   1HG1  ILE   7          1HG1      ILE   7  -5.797  -9.926   3.734
   46   2HG1  ILE   7          2HG1      ILE   7  -4.529  -8.717   3.443
   47   1HG2  ILE   7          1HG2      ILE   7  -2.738 -12.071   3.826
   48   2HG2  ILE   7          2HG2      ILE   7  -2.937 -10.446   4.541
   49   3HG2  ILE   7          3HG2      ILE   7  -4.246 -11.645   4.667
   50   1HD1  ILE   7          1HD1      ILE   7  -6.355  -9.909   1.246
   51   2HD1  ILE   7          2HD1      ILE   7  -6.659  -8.367   2.091
   52   3HD1  ILE   7          3HD1      ILE   7  -5.234  -8.529   1.047
   53    H    SER   8           H        SER   8  -0.728 -10.536   3.096
   54    HA   SER   8           HA       SER   8  -0.735  -7.862   4.099
   55   1HB   SER   8          1HB       SER   8   0.575  -9.694   5.169
   56   2HB   SER   8          2HB       SER   8   1.686  -9.728   3.772
   57    HG   SER   8           HG       SER   8   2.203  -7.465   4.358
   58    H    ASP   9           H        ASP   9   1.224  -9.389   1.332
   59    HA   ASP   9           HA       ASP   9   2.446  -6.909   0.720
   60   1HB   ASP   9          1HB       ASP   9   3.038  -7.802  -1.486
   61   2HB   ASP   9          2HB       ASP   9   3.369  -8.980  -0.190
   62    H    TYR  10           H        TYR  10  -0.749  -8.305  -0.358
   63    HA   TYR  10           HA       TYR  10  -1.290  -6.239  -2.245
   64   1HB   TYR  10          1HB       TYR  10  -2.836  -8.148  -2.144
   65   2HB   TYR  10          2HB       TYR  10  -3.203  -7.827  -0.437
   66    HD1  TYR  10           HD1      TYR  10  -4.739  -6.054   0.248
   67    HD2  TYR  10           HD2      TYR  10  -3.637  -6.462  -3.894
   68    HE1  TYR  10           HE1      TYR  10  -6.524  -4.482  -0.373
   69    HE2  TYR  10           HE2      TYR  10  -5.437  -4.881  -4.518
   70    HH   TYR  10           HH       TYR  10  -7.672  -3.397  -2.161
   71    H    SER  11           H        SER  11  -1.895  -6.434   1.382
   72    HA   SER  11           HA       SER  11  -3.239  -3.949   1.520
   73   1HB   SER  11          1HB       SER  11  -3.151  -5.570   3.418
   74   2HB   SER  11          2HB       SER  11  -1.428  -5.180   3.687
   75    HG   SER  11           HG       SER  11  -2.193  -2.952   4.119
   76    H    ILE  12           H        ILE  12   0.328  -4.742   1.595
   77    HA   ILE  12           HA       ILE  12   1.067  -2.020   2.217
   78    HB   ILE  12           HB       ILE  12   2.685  -4.242   0.863
   79   1HG1  ILE  12          1HG1      ILE  12   2.064  -4.794   3.235
   80   2HG1  ILE  12          2HG1      ILE  12   3.808  -4.605   2.985
   81   1HG2  ILE  12          1HG2      ILE  12   3.692  -2.138   0.172
   82   2HG2  ILE  12          2HG2      ILE  12   3.587  -1.462   1.815
   83   3HG2  ILE  12          3HG2      ILE  12   4.715  -2.806   1.462
   84   1HD1  ILE  12          1HD1      ILE  12   3.723  -2.325   4.061
   85   2HD1  ILE  12          2HD1      ILE  12   1.961  -2.514   4.320
   86   3HD1  ILE  12          3HD1      ILE  12   3.105  -3.607   5.128
   87    H    ALA  13           H        ALA  13   0.767  -3.875  -0.941
   88    HA   ALA  13           HA       ALA  13   1.686  -1.693  -2.515
   89   1HB   ALA  13          1HB       ALA  13   1.425  -3.982  -3.467
   90   2HB   ALA  13          2HB       ALA  13  -0.352  -3.878  -3.294
   91   3HB   ALA  13          3HB       ALA  13   0.501  -2.789  -4.429
   92    H    MET  14           H        MET  14  -1.682  -2.665  -1.516
   93    HA   MET  14           HA       MET  14  -3.044  -0.556  -2.798
   94   1HB   MET  14          1HB       MET  14  -4.346  -2.316  -1.849
   95   2HB   MET  14          2HB       MET  14  -3.638  -2.146  -0.227
   96   1HG   MET  14          1HG       MET  14  -5.260   0.150  -1.453
   97   2HG   MET  14          2HG       MET  14  -6.045  -1.183  -0.554
   98   1HE   MET  14          1HE       MET  14  -5.189   2.271   0.048
   99   2HE   MET  14          2HE       MET  14  -6.670   1.469   0.669
  100   3HE   MET  14          3HE       MET  14  -5.489   2.203   1.813
  101    H    ASP  15           H        ASP  15  -1.525  -0.614   0.541
  102    HA   ASP  15           HA       ASP  15  -2.236   2.092   1.098
  103   1HB   ASP  15          1HB       ASP  15  -1.392   0.594   2.895
  104   2HB   ASP  15          2HB       ASP  15   0.194   0.473   2.088
  105    H    LYS  16           H        LYS  16   0.636   0.643  -0.615
  106    HA   LYS  16           HA       LYS  16   2.145   3.036  -0.707
  107   1HB   LYS  16          1HB       LYS  16   2.913   0.622  -1.408
  108   2HB   LYS  16          2HB       LYS  16   2.044   0.903  -2.923
  109   1HG   LYS  16          1HG       LYS  16   4.286   1.450  -3.475
  110   2HG   LYS  16          2HG       LYS  16   3.520   3.030  -3.220
  111   1HD   LYS  16          1HD       LYS  16   5.700   3.091  -2.171
  112   2HD   LYS  16          2HD       LYS  16   4.538   3.017  -0.826
  113   1HE   LYS  16          1HE       LYS  16   5.060   0.556  -0.530
  114   2HE   LYS  16          2HE       LYS  16   6.081   0.604  -1.997
  115   1HZ   LYS  16          1HZ       LYS  16   6.596   2.177   0.546
  116   2HZ   LYS  16          2HZ       LYS  16   7.497   0.777  -0.031
  117    H    ILE  17           H        ILE  17  -0.469   1.726  -2.875
  118    HA   ILE  17           HA       ILE  17  -0.085   3.764  -4.885
  119    HB   ILE  17           HB       ILE  17  -2.480   1.960  -4.234
  120   1HG1  ILE  17          1HG1      ILE  17  -0.554   1.887  -6.641
  121   2HG1  ILE  17          2HG1      ILE  17  -0.231   0.970  -5.158
  122   1HG2  ILE  17          1HG2      ILE  17  -3.443   2.710  -6.448
  123   2HG2  ILE  17          2HG2      ILE  17  -3.338   4.049  -5.297
  124   3HG2  ILE  17          3HG2      ILE  17  -2.124   3.903  -6.599
  125   1HD1  ILE  17          1HD1      ILE  17  -1.274  -0.529  -6.761
  126   2HD1  ILE  17          2HD1      ILE  17  -2.401  -0.271  -5.401
  127   3HD1  ILE  17          3HD1      ILE  17  -2.680   0.542  -6.972
  128    H    HIS  18           H        HIS  18  -2.506   3.382  -2.143
  129    HA   HIS  18           HA       HIS  18  -3.638   5.957  -2.653
  130   1HB   HIS  18          1HB       HIS  18  -4.782   4.167  -1.342
  131   2HB   HIS  18          2HB       HIS  18  -3.557   4.337  -0.047
  132    HD1  HIS  18           HD1      HIS  18  -4.919   5.324   1.790
  133    HD2  HIS  18           HD2      HIS  18  -5.611   7.213  -1.906
  134    HE1  HIS  18           HE1      HIS  18  -6.431   7.287   2.290
  135    H    GLN  19           H        GLN  19  -0.658   5.015  -0.874
  136    HA   GLN  19           HA       GLN  19  -0.439   7.247   0.800
  137   1HB   GLN  19          1HB       GLN  19   1.194   5.403   0.894
  138   2HB   GLN  19          2HB       GLN  19   1.794   5.795  -0.746
  139   1HG   GLN  19          1HG       GLN  19   2.656   7.972   0.023
  140   2HG   GLN  19          2HG       GLN  19   1.965   7.710   1.656
  141   1HE2  GLN  19          1HE2      GLN  19   4.517   8.278   1.893
  142   2HE2  GLN  19          2HE2      GLN  19   5.516   6.877   2.030
  143    H    GLN  20           H        GLN  20   0.242   6.937  -2.774
  144    HA   GLN  20           HA       GLN  20   1.382   9.393  -3.302
  145   1HB   GLN  20          1HB       GLN  20   0.796   7.814  -5.090
  146   2HB   GLN  20          2HB       GLN  20  -0.943   8.016  -4.791
  147   1HG   GLN  20          1HG       GLN  20   0.917  10.268  -5.755
  148   2HG   GLN  20          2HG       GLN  20  -0.089   9.270  -6.831
  149   1HE2  GLN  20          1HE2      GLN  20  -2.621   9.174  -6.065
  150   2HE2  GLN  20          2HE2      GLN  20  -3.248  10.736  -5.690
  151    H    ASP  21           H        ASP  21  -2.199   8.779  -2.767
  152    HA   ASP  21           HA       ASP  21  -2.891  11.521  -3.066
  153   1HB   ASP  21          1HB       ASP  21  -4.334   9.424  -1.342
  154   2HB   ASP  21          2HB       ASP  21  -5.004  10.980  -1.888
  155    H    PHE  22           H        PHE  22  -2.003   9.573  -0.070
  156    HA   PHE  22           HA       PHE  22  -2.597  11.661   1.731
  157   1HB   PHE  22          1HB       PHE  22  -2.093   9.384   2.566
  158   2HB   PHE  22          2HB       PHE  22  -0.427   9.495   1.957
  159    HD1  PHE  22           HD1      PHE  22  -2.847  11.342   4.212
  160    HD2  PHE  22           HD2      PHE  22   1.268  10.310   3.459
  161    HE1  PHE  22           HE1      PHE  22  -2.171  12.501   6.289
  162    HE2  PHE  22           HE2      PHE  22   1.916  11.360   5.600
  163    HZ   PHE  22           HZ       PHE  22   0.210  12.500   6.999
  164    H    VAL  23           H        VAL  23   0.492  10.977  -0.101
  165    HA   VAL  23           HA       VAL  23   1.915  13.078   1.292
  166    HB   VAL  23           HB       VAL  23   2.511  11.628  -1.339
  167   1HG1  VAL  23          1HG1      VAL  23   3.546  13.883  -1.489
  168   2HG1  VAL  23          2HG1      VAL  23   4.212  13.724   0.161
  169   3HG1  VAL  23          3HG1      VAL  23   4.811  12.676  -1.160
  170   1HG2  VAL  23          1HG2      VAL  23   2.664  10.292   0.851
  171   2HG2  VAL  23          2HG2      VAL  23   4.231  10.462   0.014
  172   3HG2  VAL  23          3HG2      VAL  23   3.857  11.473   1.440
  173    H    ASN  24           H        ASN  24   0.300  12.880  -2.001
  174    HA   ASN  24           HA       ASN  24   0.746  15.572  -2.696
  175   1HB   ASN  24          1HB       ASN  24  -0.295  13.926  -4.230
  176   2HB   ASN  24          2HB       ASN  24  -1.764  13.867  -3.208
  177   1HD2  ASN  24          1HD2      ASN  24  -2.638  14.397  -5.547
  178   2HD2  ASN  24          2HD2      ASN  24  -2.785  16.079  -5.911
  179    H    TRP  25           H        TRP  25  -1.747  14.119  -0.465
  180    HA   TRP  25           HA       TRP  25  -3.240  16.536  -0.215
  181   1HB   TRP  25          1HB       TRP  25  -4.290  14.460   0.470
  182   2HB   TRP  25          2HB       TRP  25  -3.034  14.135   1.693
  183    HD1  TRP  25           HD1      TRP  25  -6.048  16.468   1.114
  184    HE1  TRP  25           HE1      TRP  25  -6.621  17.602   3.291
  185    HE3  TRP  25           HE3      TRP  25  -2.129  14.743   4.036
  186    HZ2  TRP  25           HZ2      TRP  25  -5.560  17.961   5.800
  187    HZ3  TRP  25           HZ3      TRP  25  -1.941  15.657   6.361
  188    HH2  TRP  25           HH2      TRP  25  -3.631  17.244   7.227
  189    H    LEU  26           H        LEU  26  -0.576  15.149   1.986
  190    HA   LEU  26           HA       LEU  26  -0.854  17.393   3.712
  191   1HB   LEU  26          1HB       LEU  26   1.150  16.773   4.863
  192   2HB   LEU  26          2HB       LEU  26   0.271  15.308   4.405
  193    HG   LEU  26           HG       LEU  26   1.967  15.335   2.308
  194   1HD1  LEU  26          1HD1      LEU  26   3.060  17.581   2.907
  195   2HD1  LEU  26          2HD1      LEU  26   3.638  16.839   4.416
  196   3HD1  LEU  26          3HD1      LEU  26   4.214  16.234   2.839
  197   1HD2  LEU  26          1HD2      LEU  26   2.812  14.468   5.124
  198   2HD2  LEU  26          2HD2      LEU  26   1.862  13.514   3.945
  199   3HD2  LEU  26          3HD2      LEU  26   3.564  13.903   3.601
  200    H    LEU  27           H        LEU  27   1.137  16.912   0.705
  201    HA   LEU  27           HA       LEU  27   2.583  19.378   1.035
  202   1HB   LEU  27          1HB       LEU  27   1.718  17.917  -1.528
  203   2HB   LEU  27          2HB       LEU  27   2.842  19.292  -1.501
  204    HG   LEU  27           HG       LEU  27   3.400  16.611  -0.071
  205   1HD1  LEU  27          1HD1      LEU  27   4.939  16.123  -1.982
  206   2HD1  LEU  27          2HD1      LEU  27   3.259  16.284  -2.549
  207   3HD1  LEU  27          3HD1      LEU  27   4.414  17.625  -2.796
  208   1HD2  LEU  27          1HD2      LEU  27   5.781  17.441  -0.042
  209   2HD2  LEU  27          2HD2      LEU  27   5.236  19.010  -0.690
  210   3HD2  LEU  27          3HD2      LEU  27   4.728  18.476   0.937
  211    H    ALA  28           H        ALA  28  -0.587  18.563  -0.589
  212    HA   ALA  28           HA       ALA  28  -1.067  21.172  -1.544
  213   1HB   ALA  28          1HB       ALA  28  -3.494  20.580  -1.531
  214   2HB   ALA  28          2HB       ALA  28  -2.520  19.223  -2.170
  215   3HB   ALA  28          3HB       ALA  28  -3.165  19.159  -0.503
  216    H    GLN  29           H        GLN  29  -1.609  19.718   1.768
  217    HA   GLN  29           HA       GLN  29  -2.646  22.391   2.661
  218   1HB   GLN  29          1HB       GLN  29  -2.744  19.703   4.133
  219   2HB   GLN  29          2HB       GLN  29  -3.601  21.211   4.551
  220   1HG   GLN  29          1HG       GLN  29  -4.090  19.361   2.131
  221   2HG   GLN  29          2HG       GLN  29  -5.178  19.658   3.505
  222   1HE2  GLN  29          1HE2      GLN  29  -5.677  20.080   0.503
  223   2HE2  GLN  29          2HE2      GLN  29  -6.171  21.728   0.422
  224    H    LYS  30           H        LYS  30   0.127  22.375   2.070
  225    HA   LYS  30           HA       LYS  30   1.039  23.136   4.729
  226   1HB   LYS  30          1HB       LYS  30   1.430  20.622   4.723
  227   2HB   LYS  30          2HB       LYS  30   2.473  20.817   3.283
  228   1HG   LYS  30          1HG       LYS  30   4.078  22.183   4.624
  229   2HG   LYS  30          2HG       LYS  30   2.975  22.132   6.031
  230   1HD   LYS  30          1HD       LYS  30   3.218  19.619   6.117
  231   2HD   LYS  30          2HD       LYS  30   4.322  19.681   4.715
  232   1HE   LYS  30          1HE       LYS  30   5.940  21.073   6.055
  233   2HE   LYS  30          2HE       LYS  30   4.822  21.045   7.447
  234   1HZ   LYS  30          1HZ       LYS  30   5.071  18.598   7.598
  235   2HZ   LYS  30          2HZ       LYS  30   6.161  18.611   6.209
  Start of MODEL   15
    1   1H    TYR   1          1H        TYR   1  -0.271 -17.596  -7.041
    2   2H    TYR   1          2H        TYR   1   0.207 -16.253  -6.025
    3   3H    TYR   1          3H        TYR   1  -1.033 -17.346  -5.495
    4    HA   TYR   1           HA       TYR   1   0.557 -19.180  -5.325
    5   1HB   TYR   1          1HB       TYR   1   2.412 -17.168  -6.679
    6   2HB   TYR   1          2HB       TYR   1   3.143 -18.178  -5.427
    7    HD1  TYR   1           HD1      TYR   1   1.483 -18.285  -8.762
    8    HD2  TYR   1           HD2      TYR   1   3.353 -20.601  -5.647
    9    HE1  TYR   1           HE1      TYR   1   1.573 -20.235 -10.266
   10    HE2  TYR   1           HE2      TYR   1   3.494 -22.536  -7.177
   11    HH   TYR   1           HH       TYR   1   2.186 -22.534 -10.499
   12    H    ALA   2           H        ALA   2   2.167 -19.423  -3.433
   13    HA   ALA   2           HA       ALA   2   2.361 -19.085  -1.136
   14   1HB   ALA   2          1HB       ALA   2   3.312 -16.864  -0.542
   15   2HB   ALA   2          2HB       ALA   2   4.056 -17.505  -2.039
   16   3HB   ALA   2          3HB       ALA   2   2.833 -16.210  -2.138
   17    H    GLU   3           H        GLU   3  -0.179 -19.577  -1.532
   18    HA   GLU   3           HA       GLU   3  -1.902 -17.322  -0.780
   19   1HB   GLU   3          1HB       GLU   3  -2.459 -20.344  -0.827
   20   2HB   GLU   3          2HB       GLU   3  -3.666 -19.073  -0.500
   21   1HG   GLU   3          1HG       GLU   3  -2.064 -19.370  -3.130
   22   2HG   GLU   3          2HG       GLU   3  -3.760 -19.845  -2.883
   23    H    GLY   4           H        GLY   4  -0.625 -16.572   1.107
   24   1HA   GLY   4          1HA       GLY   4  -1.515 -17.847   3.583
   25   2HA   GLY   4          2HA       GLY   4   0.222 -18.103   3.253
   26    H    THR   5           H        THR   5   1.331 -15.871   2.388
   27    HA   THR   5           HA       THR   5   0.390 -13.650   4.207
   28    HB   THR   5           HB       THR   5   2.575 -14.545   4.951
   29    HG1  THR   5           HG1      THR   5   2.233 -12.203   5.019
   30   1HG2  THR   5          1HG2      THR   5   3.580 -15.516   2.917
   31   2HG2  THR   5          2HG2      THR   5   3.566 -13.927   2.095
   32   3HG2  THR   5          3HG2      THR   5   4.619 -14.201   3.506
   33    H    PHE   6           H        PHE   6  -0.863 -14.143   1.679
   34    HA   PHE   6           HA       PHE   6   0.602 -12.476  -0.232
   35   1HB   PHE   6          1HB       PHE   6  -0.945 -14.617  -0.725
   36   2HB   PHE   6          2HB       PHE   6  -2.249 -13.422  -0.769
   37    HD1  PHE   6           HD1      PHE   6  -2.342 -11.875  -2.745
   38    HD2  PHE   6           HD2      PHE   6   1.114 -14.358  -2.113
   39    HE1  PHE   6           HE1      PHE   6  -1.574 -11.410  -5.056
   40    HE2  PHE   6           HE2      PHE   6   1.860 -13.925  -4.432
   41    HZ   PHE   6           HZ       PHE   6   0.513 -12.449  -5.911
   42    H    ILE   7           H        ILE   7  -2.572 -12.401   1.587
   43    HA   ILE   7           HA       ILE   7  -3.462  -9.969   0.757
   44    HB   ILE   7           HB       ILE   7  -4.688 -11.401   2.394
   45   1HG1  ILE   7          1HG1      ILE   7  -5.669  -9.650   3.863
   46   2HG1  ILE   7          2HG1      ILE   7  -4.354  -8.521   3.460
   47   1HG2  ILE   7          1HG2      ILE   7  -4.175 -11.396   4.808
   48   2HG2  ILE   7          2HG2      ILE   7  -2.726 -11.937   3.936
   49   3HG2  ILE   7          3HG2      ILE   7  -2.816 -10.271   4.573
   50   1HD1  ILE   7          1HD1      ILE   7  -5.158  -8.397   1.098
   51   2HD1  ILE   7          2HD1      ILE   7  -6.336  -9.709   1.402
   52   3HD1  ILE   7          3HD1      ILE   7  -6.525  -8.119   2.192
   53    H    SER   8           H        SER   8  -0.692 -10.537   3.066
   54    HA   SER   8           HA       SER   8  -0.579  -7.851   3.971
   55   1HB   SER   8          1HB       SER   8   1.736  -9.843   3.621
   56   2HB   SER   8          2HB       SER   8   1.801  -8.300   4.534
   57    HG   SER   8           HG       SER   8   1.194 -10.115   5.948
   58    H    ASP   9           H        ASP   9   1.169  -9.466   1.124
   59    HA   ASP   9           HA       ASP   9   2.456  -7.043   0.401
   60   1HB   ASP   9          1HB       ASP   9   2.832  -7.975  -1.832
   61   2HB   ASP   9          2HB       ASP   9   3.179  -9.185  -0.572
   62    H    TYR  10           H        TYR  10  -0.852  -8.331  -0.419
   63    HA   TYR  10           HA       TYR  10  -1.391  -6.314  -2.372
   64   1HB   TYR  10          1HB       TYR  10  -2.830  -8.329  -2.140
   65   2HB   TYR  10          2HB       TYR  10  -3.329  -7.814  -0.515
   66    HD1  TYR  10           HD1      TYR  10  -3.507  -6.930  -4.146
   67    HD2  TYR  10           HD2      TYR  10  -4.958  -5.992  -0.203
   68    HE1  TYR  10           HE1      TYR  10  -5.347  -5.599  -5.132
   69    HE2  TYR  10           HE2      TYR  10  -6.789  -4.672  -1.186
   70    HH   TYR  10           HH       TYR  10  -7.918  -4.053  -3.205
   71    H    SER  11           H        SER  11  -1.955  -6.414   1.248
   72    HA   SER  11           HA       SER  11  -3.351  -3.907   1.283
   73   1HB   SER  11          1HB       SER  11  -3.453  -5.552   3.162
   74   2HB   SER  11          2HB       SER  11  -1.736  -5.251   3.547
   75    HG   SER  11           HG       SER  11  -2.426  -3.000   3.992
   76    H    ILE  12           H        ILE  12   0.158  -4.817   1.689
   77    HA   ILE  12           HA       ILE  12   0.985  -2.152   2.395
   78    HB   ILE  12           HB       ILE  12   2.520  -4.476   1.110
   79   1HG1  ILE  12          1HG1      ILE  12   2.760  -3.323   3.964
   80   2HG1  ILE  12          2HG1      ILE  12   1.616  -4.621   3.579
   81   1HG2  ILE  12          1HG2      ILE  12   3.625  -2.349   0.428
   82   2HG2  ILE  12          2HG2      ILE  12   3.614  -1.777   2.120
   83   3HG2  ILE  12          3HG2      ILE  12   4.625  -3.168   1.635
   84   1HD1  ILE  12          1HD1      ILE  12   3.637  -5.628   4.500
   85   2HD1  ILE  12          2HD1      ILE  12   3.493  -6.091   2.782
   86   3HD1  ILE  12          3HD1      ILE  12   4.674  -4.844   3.286
   87    H    ALA  13           H        ALA  13   0.790  -3.959  -0.789
   88    HA   ALA  13           HA       ALA  13   1.762  -1.811  -2.350
   89   1HB   ALA  13          1HB       ALA  13   0.541  -2.865  -4.271
   90   2HB   ALA  13          2HB       ALA  13   1.414  -4.093  -3.307
   91   3HB   ALA  13          3HB       ALA  13  -0.358  -3.916  -3.136
   92    H    MET  14           H        MET  14  -1.647  -2.595  -1.226
   93    HA   MET  14           HA       MET  14  -2.884  -0.545  -2.714
   94   1HB   MET  14          1HB       MET  14  -4.159  -2.301  -1.329
   95   2HB   MET  14          2HB       MET  14  -3.702  -1.391   0.126
   96   1HG   MET  14          1HG       MET  14  -4.832   0.710  -1.155
   97   2HG   MET  14          2HG       MET  14  -5.562  -0.550  -2.179
   98   1HE   MET  14          1HE       MET  14  -4.761   0.314   1.649
   99   2HE   MET  14          2HE       MET  14  -5.861   1.572   0.998
  100   3HE   MET  14          3HE       MET  14  -6.441   0.445   2.263
  101    H    ASP  15           H        ASP  15  -1.421  -0.511   0.670
  102    HA   ASP  15           HA       ASP  15  -2.061   2.181   1.178
  103   1HB   ASP  15          1HB       ASP  15  -1.173   0.753   2.984
  104   2HB   ASP  15          2HB       ASP  15   0.395   0.600   2.152
  105    H    LYS  16           H        LYS  16   0.973   0.743  -0.326
  106    HA   LYS  16           HA       LYS  16   2.359   3.122  -0.659
  107   1HB   LYS  16          1HB       LYS  16   3.255   0.844  -1.250
  108   2HB   LYS  16          2HB       LYS  16   2.215   0.816  -2.700
  109   1HG   LYS  16          1HG       LYS  16   3.419   2.880  -3.563
  110   2HG   LYS  16          2HG       LYS  16   4.474   2.834  -2.123
  111   1HD   LYS  16          1HD       LYS  16   5.251   0.509  -2.812
  112   2HD   LYS  16          2HD       LYS  16   4.221   0.620  -4.267
  113   1HE   LYS  16          1HE       LYS  16   5.521   2.655  -5.012
  114   2HE   LYS  16          2HE       LYS  16   6.597   2.471  -3.592
  115   1HZ   LYS  16          1HZ       LYS  16   7.529   1.419  -5.668
  116   2HZ   LYS  16          2HZ       LYS  16   7.205   0.190  -4.446
  117    H    ILE  17           H        ILE  17  -0.212   1.723  -2.858
  118    HA   ILE  17           HA       ILE  17   0.040   3.875  -4.772
  119    HB   ILE  17           HB       ILE  17  -2.332   2.032  -4.134
  120   1HG1  ILE  17          1HG1      ILE  17  -0.333   0.821  -5.067
  121   2HG1  ILE  17          2HG1      ILE  17  -1.774   0.742  -6.098
  122   1HG2  ILE  17          1HG2      ILE  17  -2.039   4.097  -6.389
  123   2HG2  ILE  17          2HG2      ILE  17  -3.257   2.784  -6.390
  124   3HG2  ILE  17          3HG2      ILE  17  -3.291   4.033  -5.123
  125   1HD1  ILE  17          1HD1      ILE  17   0.273   1.045  -7.443
  126   2HD1  ILE  17          2HD1      ILE  17  -0.782   2.460  -7.644
  127   3HD1  ILE  17          3HD1      ILE  17   0.674   2.561  -6.606
  128    H    HIS  18           H        HIS  18  -2.172   3.318  -1.917
  129    HA   HIS  18           HA       HIS  18  -3.632   5.678  -2.382
  130   1HB   HIS  18          1HB       HIS  18  -4.295   3.769  -0.794
  131   2HB   HIS  18          2HB       HIS  18  -3.075   4.392   0.351
  132    HD1  HIS  18           HD1      HIS  18  -5.110   4.616   1.951
  133    HD2  HIS  18           HD2      HIS  18  -5.226   7.144  -1.412
  134    HE1  HIS  18           HE1      HIS  18  -6.840   6.383   2.465
  135    H    GLN  19           H        GLN  19  -0.432   5.188  -0.752
  136    HA   GLN  19           HA       GLN  19  -0.402   7.594   0.705
  137   1HB   GLN  19          1HB       GLN  19   1.923   6.093  -0.633
  138   2HB   GLN  19          2HB       GLN  19   2.150   7.572   0.330
  139   1HG   GLN  19          1HG       GLN  19   1.153   6.497   2.344
  140   2HG   GLN  19          2HG       GLN  19   0.846   5.008   1.431
  141   1HE2  GLN  19          1HE2      GLN  19   3.580   7.271   2.386
  142   2HE2  GLN  19          2HE2      GLN  19   4.756   6.013   2.468
  143    H    GLN  20           H        GLN  20   0.068   7.027  -2.861
  144    HA   GLN  20           HA       GLN  20   1.140   9.459  -3.610
  145   1HB   GLN  20          1HB       GLN  20   0.403   7.777  -5.258
  146   2HB   GLN  20          2HB       GLN  20  -1.306   8.031  -4.840
  147   1HG   GLN  20          1HG       GLN  20   0.550  10.166  -6.068
  148   2HG   GLN  20          2HG       GLN  20  -0.598   9.171  -6.994
  149   1HE2  GLN  20          1HE2      GLN  20  -3.048   9.252  -5.980
  150   2HE2  GLN  20          2HE2      GLN  20  -3.556  10.865  -5.646
  151    H    ASP  21           H        ASP  21  -2.365   8.825  -2.726
  152    HA   ASP  21           HA       ASP  21  -3.082  11.582  -3.059
  153   1HB   ASP  21          1HB       ASP  21  -4.468   9.484  -1.295
  154   2HB   ASP  21          2HB       ASP  21  -5.164  11.024  -1.853
  155    H    PHE  22           H        PHE  22  -2.105   9.611  -0.106
  156    HA   PHE  22           HA       PHE  22  -2.765  11.673   1.717
  157   1HB   PHE  22          1HB       PHE  22  -2.244   9.281   2.386
  158   2HB   PHE  22          2HB       PHE  22  -0.520   9.601   2.081
  159    HD1  PHE  22           HD1      PHE  22   0.779  10.987   3.668
  160    HD2  PHE  22           HD2      PHE  22  -3.476  10.554   4.169
  161    HE1  PHE  22           HE1      PHE  22   0.941  11.950   5.945
  162    HE2  PHE  22           HE2      PHE  22  -3.311  11.550   6.429
  163    HZ   PHE  22           HZ       PHE  22  -1.102  12.252   7.321
  164    H    VAL  23           H        VAL  23   0.338  10.981  -0.053
  165    HA   VAL  23           HA       VAL  23   1.784  13.036   1.388
  166    HB   VAL  23           HB       VAL  23   2.428  11.597  -1.243
  167   1HG1  VAL  23          1HG1      VAL  23   4.754  12.546  -0.929
  168   2HG1  VAL  23          2HG1      VAL  23   3.552  13.819  -1.240
  169   3HG1  VAL  23          3HG1      VAL  23   4.152  13.549   0.422
  170   1HG2  VAL  23          1HG2      VAL  23   3.591  11.275   1.602
  171   2HG2  VAL  23          2HG2      VAL  23   2.442  10.141   0.844
  172   3HG2  VAL  23          3HG2      VAL  23   4.073  10.344   0.156
  173    H    ASN  24           H        ASN  24   0.221  12.803  -1.935
  174    HA   ASN  24           HA       ASN  24   0.733  15.470  -2.683
  175   1HB   ASN  24          1HB       ASN  24  -0.338  13.794  -4.186
  176   2HB   ASN  24          2HB       ASN  24  -1.823  13.833  -3.188
  177   1HD2  ASN  24          1HD2      ASN  24  -2.598  14.316  -5.587
  178   2HD2  ASN  24          2HD2      ASN  24  -2.681  15.992  -5.994
  179    H    TRP  25           H        TRP  25  -1.784  14.112  -0.424
  180    HA   TRP  25           HA       TRP  25  -3.230  16.562  -0.223
  181   1HB   TRP  25          1HB       TRP  25  -4.316  14.517   0.490
  182   2HB   TRP  25          2HB       TRP  25  -3.080  14.194   1.730
  183    HD1  TRP  25           HD1      TRP  25  -6.071  16.525   1.089
  184    HE1  TRP  25           HE1      TRP  25  -6.648  17.710   3.241
  185    HE3  TRP  25           HE3      TRP  25  -2.150  14.883   4.053
  186    HZ2  TRP  25           HZ2      TRP  25  -5.602  18.113   5.747
  187    HZ3  TRP  25           HZ3      TRP  25  -1.964  15.853   6.355
  188    HH2  TRP  25           HH2      TRP  25  -3.667  17.445   7.186
  189    H    LEU  26           H        LEU  26  -0.582  15.176   2.000
  190    HA   LEU  26           HA       LEU  26  -0.801  17.470   3.679
  191   1HB   LEU  26          1HB       LEU  26   1.203  16.839   4.824
  192   2HB   LEU  26          2HB       LEU  26   0.264  15.389   4.430
  193    HG   LEU  26           HG       LEU  26   1.910  15.269   2.316
  194   1HD1  LEU  26          1HD1      LEU  26   3.114  17.476   2.775
  195   2HD1  LEU  26          2HD1      LEU  26   3.684  16.798   4.319
  196   3HD1  LEU  26          3HD1      LEU  26   4.205  16.074   2.770
  197   1HD2  LEU  26          1HD2      LEU  26   2.795  14.490   5.150
  198   2HD2  LEU  26          2HD2      LEU  26   1.772  13.519   4.050
  199   3HD2  LEU  26          3HD2      LEU  26   3.476  13.824   3.635
  200    H    LEU  27           H        LEU  27   1.094  16.905   0.644
  201    HA   LEU  27           HA       LEU  27   2.623  19.336   0.927
  202   1HB   LEU  27          1HB       LEU  27   1.706  17.851  -1.603
  203   2HB   LEU  27          2HB       LEU  27   2.854  19.207  -1.604
  204    HG   LEU  27           HG       LEU  27   3.375  16.537  -0.137
  205   1HD1  LEU  27          1HD1      LEU  27   3.213  16.170  -2.609
  206   2HD1  LEU  27          2HD1      LEU  27   4.382  17.492  -2.889
  207   3HD1  LEU  27          3HD1      LEU  27   4.897  16.000  -2.055
  208   1HD2  LEU  27          1HD2      LEU  27   4.741  18.387   0.832
  209   2HD2  LEU  27          2HD2      LEU  27   5.770  17.320  -0.139
  210   3HD2  LEU  27          3HD2      LEU  27   5.247  18.891  -0.807
  211    H    ALA  28           H        ALA  28  -0.565  18.552  -0.694
  212    HA   ALA  28           HA       ALA  28  -1.034  21.168  -1.632
  213   1HB   ALA  28          1HB       ALA  28  -3.466  20.596  -1.593
  214   2HB   ALA  28          2HB       ALA  28  -2.510  19.235  -2.251
  215   3HB   ALA  28          3HB       ALA  28  -3.135  19.167  -0.575
  216    H    GLN  29           H        GLN  29  -1.596  19.674   1.655
  217    HA   GLN  29           HA       GLN  29  -2.522  22.354   2.635
  218   1HB   GLN  29          1HB       GLN  29  -2.644  19.627   4.045
  219   2HB   GLN  29          2HB       GLN  29  -3.416  21.158   4.543
  220   1HG   GLN  29          1HG       GLN  29  -4.092  19.392   2.103
  221   2HG   GLN  29          2HG       GLN  29  -5.114  19.720   3.521
  222   1HE2  GLN  29          1HE2      GLN  29  -5.578  20.267   0.478
  223   2HE2  GLN  29          2HE2      GLN  29  -6.035  21.927   0.482
  224    H    LYS  30           H        LYS  30   0.034  22.618   1.975
  225    HA   LYS  30           HA       LYS  30   2.113  23.111   2.840
  226   1HB   LYS  30          1HB       LYS  30   0.541  23.284   5.471
  227   2HB   LYS  30          2HB       LYS  30   2.159  23.963   5.156
  228   1HG   LYS  30          1HG       LYS  30   1.201  25.431   3.361
  229   2HG   LYS  30          2HG       LYS  30  -0.417  24.721   3.618
  230   1HD   LYS  30          1HD       LYS  30  -0.458  25.592   5.963
  231   2HD   LYS  30          2HD       LYS  30   1.172  26.292   5.749
  232   1HE   LYS  30          1HE       LYS  30   0.316  27.771   3.921
  233   2HE   LYS  30          2HE       LYS  30  -1.325  27.084   4.112
  234   1HZ   LYS  30          1HZ       LYS  30  -1.005  29.252   5.342
  235   2HZ   LYS  30          2HZ       LYS  30  -1.357  27.939   6.453
  Start of MODEL   16
    1   1H    TYR   1          1H        TYR   1   3.537 -19.393  -8.781
    2   2H    TYR   1          2H        TYR   1   2.990 -20.208  -7.336
    3   3H    TYR   1          3H        TYR   1   4.584 -19.513  -7.406
    4    HA   TYR   1           HA       TYR   1   3.618 -17.253  -7.583
    5   1HB   TYR   1          1HB       TYR   1   0.941 -18.696  -7.066
    6   2HB   TYR   1          2HB       TYR   1   1.166 -16.933  -7.102
    7    HD1  TYR   1           HD1      TYR   1   2.021 -15.818  -9.241
    8    HD2  TYR   1           HD2      TYR   1   0.614 -19.885  -9.179
    9    HE1  TYR   1           HE1      TYR   1   1.681 -15.744 -11.690
   10    HE2  TYR   1           HE2      TYR   1   0.272 -19.809 -11.614
   11    HH   TYR   1           HH       TYR   1   0.408 -18.482 -13.597
   12    H    ALA   2           H        ALA   2   2.925 -16.018  -5.524
   13    HA   ALA   2           HA       ALA   2   3.620 -17.689  -3.114
   14   1HB   ALA   2          1HB       ALA   2   5.121 -15.758  -3.598
   15   2HB   ALA   2          2HB       ALA   2   3.721 -14.646  -3.540
   16   3HB   ALA   2          3HB       ALA   2   4.220 -15.533  -2.069
   17    H    GLU   3           H        GLU   3   1.150 -18.398  -3.780
   18    HA   GLU   3           HA       GLU   3  -0.826 -16.461  -2.695
   19   1HB   GLU   3          1HB       GLU   3  -1.120 -19.354  -3.681
   20   2HB   GLU   3          2HB       GLU   3  -2.453 -18.332  -3.077
   21   1HG   GLU   3          1HG       GLU   3  -2.109 -16.694  -4.902
   22   2HG   GLU   3          2HG       GLU   3  -0.636 -17.540  -5.433
   23    H    GLY   4           H        GLY   4   0.532 -16.303  -0.629
   24   1HA   GLY   4          1HA       GLY   4  -0.523 -18.288   1.329
   25   2HA   GLY   4          2HA       GLY   4   1.248 -18.151   1.163
   26    H    THR   5           H        THR   5   2.127 -15.756   1.280
   27    HA   THR   5           HA       THR   5   0.504 -14.212   3.297
   28    HB   THR   5           HB       THR   5   3.493 -14.004   2.669
   29    HG1  THR   5           HG1      THR   5   3.681 -15.484   4.510
   30   1HG2  THR   5          1HG2      THR   5   1.840 -13.218   5.172
   31   2HG2  THR   5          2HG2      THR   5   3.603 -13.005   4.977
   32   3HG2  THR   5          3HG2      THR   5   2.480 -12.061   3.971
   33    H    PHE   6           H        PHE   6  -0.368 -14.195   0.572
   34    HA   PHE   6           HA       PHE   6   0.920 -11.929  -0.750
   35   1HB   PHE   6          1HB       PHE   6  -0.162 -13.635  -2.173
   36   2HB   PHE   6          2HB       PHE   6  -1.716 -13.401  -1.343
   37    HD1  PHE   6           HD1      PHE   6   0.947 -11.414  -3.176
   38    HD2  PHE   6           HD2      PHE   6  -3.255 -11.832  -2.330
   39    HE1  PHE   6           HE1      PHE   6   0.451  -9.512  -4.674
   40    HE2  PHE   6           HE2      PHE   6  -3.755 -10.033  -3.947
   41    HZ   PHE   6           HZ       PHE   6  -1.902  -8.830  -5.085
   42    H    ILE   7           H        ILE   7  -2.158 -12.540   1.155
   43    HA   ILE   7           HA       ILE   7  -3.360 -10.137   0.778
   44    HB   ILE   7           HB       ILE   7  -4.291 -11.923   2.221
   45   1HG1  ILE   7          1HG1      ILE   7  -4.230  -9.173   3.628
   46   2HG1  ILE   7          2HG1      ILE   7  -5.239  -9.601   2.223
   47   1HG2  ILE   7          1HG2      ILE   7  -3.624 -12.250   4.565
   48   2HG2  ILE   7          2HG2      ILE   7  -2.158 -12.367   3.581
   49   3HG2  ILE   7          3HG2      ILE   7  -2.494 -10.872   4.499
   50   1HD1  ILE   7          1HD1      ILE   7  -6.617  -9.748   4.233
   51   2HD1  ILE   7          2HD1      ILE   7  -6.360 -11.409   3.626
   52   3HD1  ILE   7          3HD1      ILE   7  -5.453 -10.813   5.052
   53    H    SER   8           H        SER   8  -0.426 -10.638   2.915
   54    HA   SER   8           HA       SER   8  -0.578  -7.990   4.002
   55   1HB   SER   8          1HB       SER   8   1.943  -9.686   3.547
   56   2HB   SER   8          2HB       SER   8   1.783  -8.268   4.628
   57    HG   SER   8           HG       SER   8   1.411 -10.328   5.786
   58    H    ASP   9           H        ASP   9   1.276  -9.415   1.150
   59    HA   ASP   9           HA       ASP   9   2.449  -6.966   0.373
   60   1HB   ASP   9          1HB       ASP   9   1.501  -9.256  -1.466
   61   2HB   ASP   9          2HB       ASP   9   2.602  -7.939  -1.937
   62    H    TYR  10           H        TYR  10  -0.860  -8.345  -0.386
   63    HA   TYR  10           HA       TYR  10  -1.533  -6.323  -2.267
   64   1HB   TYR  10          1HB       TYR  10  -2.932  -8.376  -1.929
   65   2HB   TYR  10          2HB       TYR  10  -3.411  -7.812  -0.320
   66    HD1  TYR  10           HD1      TYR  10  -3.808  -7.233  -3.966
   67    HD2  TYR  10           HD2      TYR  10  -4.891  -5.817  -0.048
   68    HE1  TYR  10           HE1      TYR  10  -5.612  -5.884  -4.957
   69    HE2  TYR  10           HE2      TYR  10  -6.662  -4.415  -1.052
   70    HH   TYR  10           HH       TYR  10  -7.444  -4.411  -4.536
   71    H    SER  11           H        SER  11  -2.014  -6.511   1.367
   72    HA   SER  11           HA       SER  11  -3.450  -4.054   1.497
   73   1HB   SER  11          1HB       SER  11  -3.434  -5.685   3.371
   74   2HB   SER  11          2HB       SER  11  -1.694  -5.360   3.661
   75    HG   SER  11           HG       SER  11  -3.099  -3.987   5.018
   76    H    ILE  12           H        ILE  12   0.115  -4.795   1.832
   77    HA   ILE  12           HA       ILE  12   0.768  -2.058   2.482
   78    HB   ILE  12           HB       ILE  12   2.496  -4.286   1.272
   79   1HG1  ILE  12          1HG1      ILE  12   1.720  -4.791   3.607
   80   2HG1  ILE  12          2HG1      ILE  12   3.477  -4.605   3.469
   81   1HG2  ILE  12          1HG2      ILE  12   4.475  -2.825   1.973
   82   2HG2  ILE  12          2HG2      ILE  12   3.530  -2.192   0.607
   83   3HG2  ILE  12          3HG2      ILE  12   3.319  -1.482   2.226
   84   1HD1  ILE  12          1HD1      ILE  12   2.642  -3.564   5.543
   85   2HD1  ILE  12          2HD1      ILE  12   3.325  -2.304   4.491
   86   3HD1  ILE  12          3HD1      ILE  12   1.550  -2.491   4.642
   87    H    ALA  13           H        ALA  13   0.703  -3.948  -0.652
   88    HA   ALA  13           HA       ALA  13   1.671  -1.814  -2.238
   89   1HB   ALA  13          1HB       ALA  13  -0.398  -3.965  -3.022
   90   2HB   ALA  13          2HB       ALA  13   0.499  -2.916  -4.160
   91   3HB   ALA  13          3HB       ALA  13   1.380  -4.112  -3.163
   92    H    MET  14           H        MET  14  -1.705  -2.638  -1.138
   93    HA   MET  14           HA       MET  14  -2.959  -0.635  -2.737
   94   1HB   MET  14          1HB       MET  14  -4.165  -2.526  -1.788
   95   2HB   MET  14          2HB       MET  14  -3.888  -1.975  -0.124
   96   1HG   MET  14          1HG       MET  14  -5.272   0.032  -1.966
   97   2HG   MET  14          2HG       MET  14  -6.193  -1.436  -1.563
   98   1HE   MET  14          1HE       MET  14  -6.179   2.098   1.123
   99   2HE   MET  14          2HE       MET  14  -4.707   1.899   0.128
  100   3HE   MET  14          3HE       MET  14  -6.323   1.949  -0.659
  101    H    ASP  15           H        ASP  15  -1.806  -0.588   0.748
  102    HA   ASP  15           HA       ASP  15  -2.501   2.126   1.209
  103   1HB   ASP  15          1HB       ASP  15  -1.755   0.665   3.060
  104   2HB   ASP  15          2HB       ASP  15  -0.128   0.529   2.346
  105    H    LYS  16           H        LYS  16   0.565   0.658  -0.113
  106    HA   LYS  16           HA       LYS  16   2.041   3.048  -0.207
  107   1HB   LYS  16          1HB       LYS  16   2.974   0.775  -0.509
  108   2HB   LYS  16          2HB       LYS  16   2.217   0.631  -2.113
  109   1HG   LYS  16          1HG       LYS  16   4.308   2.784  -1.377
  110   2HG   LYS  16          2HG       LYS  16   4.710   1.182  -2.042
  111   1HD   LYS  16          1HD       LYS  16   3.276   1.699  -4.094
  112   2HD   LYS  16          2HD       LYS  16   3.134   3.377  -3.509
  113   1HE   LYS  16          1HE       LYS  16   5.753   1.925  -4.189
  114   2HE   LYS  16          2HE       LYS  16   4.982   3.226  -5.139
  115   1HZ   LYS  16          1HZ       LYS  16   6.842   4.049  -3.664
  116   2HZ   LYS  16          2HZ       LYS  16   5.302   4.761  -3.189
  117    H    ILE  17           H        ILE  17  -0.103   1.551  -2.749
  118    HA   ILE  17           HA       ILE  17   0.284   3.625  -4.669
  119    HB   ILE  17           HB       ILE  17  -2.124   1.808  -4.117
  120   1HG1  ILE  17          1HG1      ILE  17  -0.172   1.767  -6.504
  121   2HG1  ILE  17          2HG1      ILE  17   0.182   0.874  -5.014
  122   1HG2  ILE  17          1HG2      ILE  17  -3.004   3.866  -5.188
  123   2HG2  ILE  17          2HG2      ILE  17  -1.738   3.785  -6.446
  124   3HG2  ILE  17          3HG2      ILE  17  -3.026   2.550  -6.369
  125   1HD1  ILE  17          1HD1      ILE  17  -0.828  -0.663  -6.613
  126   2HD1  ILE  17          2HD1      ILE  17  -1.945  -0.434  -5.241
  127   3HD1  ILE  17          3HD1      ILE  17  -2.268   0.364  -6.809
  128    H    HIS  18           H        HIS  18  -2.157   3.261  -1.968
  129    HA   HIS  18           HA       HIS  18  -3.442   5.711  -2.605
  130   1HB   HIS  18          1HB       HIS  18  -4.441   3.900  -1.183
  131   2HB   HIS  18          2HB       HIS  18  -3.271   4.299   0.110
  132    HD1  HIS  18           HD1      HIS  18  -5.093   4.928   1.741
  133    HD2  HIS  18           HD2      HIS  18  -5.226   7.127  -1.841
  134    HE1  HIS  18           HE1      HIS  18  -6.713   6.813   2.155
  135    H    GLN  19           H        GLN  19  -0.380   5.125  -0.752
  136    HA   GLN  19           HA       GLN  19  -0.389   7.470   0.767
  137   1HB   GLN  19          1HB       GLN  19   2.007   6.193  -0.683
  138   2HB   GLN  19          2HB       GLN  19   2.137   7.610   0.378
  139   1HG   GLN  19          1HG       GLN  19   1.221   6.319   2.313
  140   2HG   GLN  19          2HG       GLN  19   1.064   4.875   1.291
  141   1HE2  GLN  19          1HE2      GLN  19   3.569   7.348   2.387
  142   2HE2  GLN  19          2HE2      GLN  19   4.861   6.206   2.413
  143    H    GLN  20           H        GLN  20   0.224   7.046  -2.801
  144    HA   GLN  20           HA       GLN  20   1.172   9.495  -3.524
  145   1HB   GLN  20          1HB       GLN  20   0.459   7.801  -5.165
  146   2HB   GLN  20          2HB       GLN  20  -1.255   8.033  -4.750
  147   1HG   GLN  20          1HG       GLN  20   0.594  10.171  -5.990
  148   2HG   GLN  20          2HG       GLN  20  -0.546   9.164  -6.914
  149   1HE2  GLN  20          1HE2      GLN  20  -3.000   9.243  -5.916
  150   2HE2  GLN  20          2HE2      GLN  20  -3.519  10.858  -5.606
  151    H    ASP  21           H        ASP  21  -2.336   8.842  -2.645
  152    HA   ASP  21           HA       ASP  21  -3.070  11.588  -3.016
  153   1HB   ASP  21          1HB       ASP  21  -4.446   9.472  -1.262
  154   2HB   ASP  21          2HB       ASP  21  -5.142  11.030  -1.771
  155    H    PHE  22           H        PHE  22  -2.192   9.677   0.016
  156    HA   PHE  22           HA       PHE  22  -2.733  11.826   1.774
  157   1HB   PHE  22          1HB       PHE  22  -2.305   9.602   2.728
  158   2HB   PHE  22          2HB       PHE  22  -0.684   9.557   1.997
  159    HD1  PHE  22           HD1      PHE  22   1.136  10.096   3.443
  160    HD2  PHE  22           HD2      PHE  22  -2.721  11.833   4.258
  161    HE1  PHE  22           HE1      PHE  22   2.044  11.175   5.468
  162    HE2  PHE  22           HE2      PHE  22  -1.779  12.987   6.230
  163    HZ   PHE  22           HZ       PHE  22   0.603  12.651   6.850
  164    H    VAL  23           H        VAL  23   0.339  10.993   0.006
  165    HA   VAL  23           HA       VAL  23   1.828  13.064   1.356
  166    HB   VAL  23           HB       VAL  23   2.400  11.554  -1.255
  167   1HG1  VAL  23          1HG1      VAL  23   4.191  13.508   0.336
  168   2HG1  VAL  23          2HG1      VAL  23   4.755  12.454  -0.995
  169   3HG1  VAL  23          3HG1      VAL  23   3.571  13.740  -1.325
  170   1HG2  VAL  23          1HG2      VAL  23   3.601  11.275   1.582
  171   2HG2  VAL  23          2HG2      VAL  23   2.422  10.147   0.867
  172   3HG2  VAL  23          3HG2      VAL  23   4.045  10.299   0.153
  173    H    ASN  24           H        ASN  24   0.122  12.838  -1.893
  174    HA   ASN  24           HA       ASN  24   0.730  15.487  -2.681
  175   1HB   ASN  24          1HB       ASN  24  -0.401  13.839  -4.159
  176   2HB   ASN  24          2HB       ASN  24  -1.876  13.920  -3.153
  177   1HD2  ASN  24          1HD2      ASN  24  -2.623  14.415  -5.572
  178   2HD2  ASN  24          2HD2      ASN  24  -2.674  16.093  -5.972
  179    H    TRP  25           H        TRP  25  -1.824  14.208  -0.420
  180    HA   TRP  25           HA       TRP  25  -3.235  16.666  -0.222
  181   1HB   TRP  25          1HB       TRP  25  -4.326  14.639   0.521
  182   2HB   TRP  25          2HB       TRP  25  -3.064  14.298   1.726
  183    HD1  TRP  25           HD1      TRP  25  -6.086  16.621   1.226
  184    HE1  TRP  25           HE1      TRP  25  -6.637  17.688   3.446
  185    HE3  TRP  25           HE3      TRP  25  -2.031  14.972   3.998
  186    HZ2  TRP  25           HZ2      TRP  25  -5.591  17.911   5.976
  187    HZ3  TRP  25           HZ3      TRP  25  -1.829  15.812   6.350
  188    HH2  TRP  25           HH2      TRP  25  -3.590  17.251   7.324
  189    H    LEU  26           H        LEU  26  -0.502  15.347   1.911
  190    HA   LEU  26           HA       LEU  26  -0.671  17.721   3.544
  191   1HB   LEU  26          1HB       LEU  26   1.317  17.071   4.688
  192   2HB   LEU  26          2HB       LEU  26   0.316  15.643   4.382
  193    HG   LEU  26           HG       LEU  26   1.932  15.348   2.254
  194   1HD1  LEU  26          1HD1      LEU  26   3.221  17.528   2.599
  195   2HD1  LEU  26          2HD1      LEU  26   3.783  16.900   4.167
  196   3HD1  LEU  26          3HD1      LEU  26   4.260  16.087   2.650
  197   1HD2  LEU  26          1HD2      LEU  26   1.732  13.697   4.051
  198   2HD2  LEU  26          2HD2      LEU  26   3.448  13.907   3.628
  199   3HD2  LEU  26          3HD2      LEU  26   2.799  14.662   5.115
  200    H    LEU  27           H        LEU  27   1.140  16.917   0.501
  201    HA   LEU  27           HA       LEU  27   2.714  19.338   0.617
  202   1HB   LEU  27          1HB       LEU  27   1.816  17.671  -1.789
  203   2HB   LEU  27          2HB       LEU  27   2.973  19.017  -1.890
  204    HG   LEU  27           HG       LEU  27   3.476  16.480  -0.206
  205   1HD1  LEU  27          1HD1      LEU  27   4.546  17.240  -2.998
  206   2HD1  LEU  27          2HD1      LEU  27   5.030  15.804  -2.051
  207   3HD1  LEU  27          3HD1      LEU  27   3.360  15.949  -2.659
  208   1HD2  LEU  27          1HD2      LEU  27   5.870  17.278  -0.232
  209   2HD2  LEU  27          2HD2      LEU  27   5.344  18.797  -1.006
  210   3HD2  LEU  27          3HD2      LEU  27   4.820  18.395   0.654
  211    H    ALA  28           H        ALA  28  -0.665  18.596  -0.472
  212    HA   ALA  28           HA       ALA  28  -0.984  21.197  -1.713
  213   1HB   ALA  28          1HB       ALA  28  -2.561  19.324  -2.204
  214   2HB   ALA  28          2HB       ALA  28  -3.132  19.341  -0.510
  215   3HB   ALA  28          3HB       ALA  28  -3.417  20.758  -1.558
  216    H    GLN  29           H        GLN  29  -1.606  19.784   1.617
  217    HA   GLN  29           HA       GLN  29  -2.219  22.562   2.595
  218   1HB   GLN  29          1HB       GLN  29  -2.890  19.819   3.813
  219   2HB   GLN  29          2HB       GLN  29  -3.319  21.429   4.462
  220   1HG   GLN  29          1HG       GLN  29  -4.599  21.888   2.290
  221   2HG   GLN  29          2HG       GLN  29  -4.268  20.206   1.788
  222   1HE2  GLN  29          1HE2      GLN  29  -6.861  20.603   1.759
  223   2HE2  GLN  29          2HE2      GLN  29  -7.649  20.079   3.203
  224    H    LYS  30           H        LYS  30   0.204  22.985   2.487
  225    HA   LYS  30           HA       LYS  30   1.817  21.486   4.492
  226   1HB   LYS  30          1HB       LYS  30   2.494  23.906   2.732
  227   2HB   LYS  30          2HB       LYS  30   3.614  23.081   3.852
  228   1HG   LYS  30          1HG       LYS  30   3.531  20.995   2.562
  229   2HG   LYS  30          2HG       LYS  30   2.127  21.585   1.646
  230   1HD   LYS  30          1HD       LYS  30   4.025  21.640   0.176
  231   2HD   LYS  30          2HD       LYS  30   3.548  23.321   0.506
  232   1HE   LYS  30          1HE       LYS  30   5.899  21.822   1.855
  233   2HE   LYS  30          2HE       LYS  30   6.043  22.925   0.465
  234   1HZ   LYS  30          1HZ       LYS  30   4.992  24.752   2.027
  235   2HZ   LYS  30          2HZ       LYS  30   5.821  23.742   3.287
  Start of MODEL   17
    1   1H    TYR   1          1H        TYR   1   0.917 -24.175  -4.352
    2   2H    TYR   1          2H        TYR   1   2.253 -23.977  -5.442
    3   3H    TYR   1          3H        TYR   1   0.611 -23.780  -6.012
    4    HA   TYR   1           HA       TYR   1   1.978 -22.031  -3.959
    5   1HB   TYR   1          1HB       TYR   1   1.622 -21.735  -6.982
    6   2HB   TYR   1          2HB       TYR   1   1.425 -20.278  -6.003
    7    HD1  TYR   1           HD1      TYR   1   3.904 -22.850  -7.049
    8    HD2  TYR   1           HD2      TYR   1   3.242 -19.316  -4.682
    9    HE1  TYR   1           HE1      TYR   1   6.336 -22.582  -6.771
   10    HE2  TYR   1           HE2      TYR   1   5.684 -19.013  -4.458
   11    HH   TYR   1           HH       TYR   1   8.091 -21.277  -5.808
   12    H    ALA   2           H        ALA   2   0.729 -20.012  -3.459
   13    HA   ALA   2           HA       ALA   2  -2.132 -20.028  -4.054
   14   1HB   ALA   2          1HB       ALA   2  -1.974 -21.898  -2.336
   15   2HB   ALA   2          2HB       ALA   2  -1.106 -20.791  -1.237
   16   3HB   ALA   2          3HB       ALA   2  -2.821 -20.490  -1.644
   17    H    GLU   3           H        GLU   3  -3.242 -18.244  -2.593
   18    HA   GLU   3           HA       GLU   3  -1.388 -15.957  -2.461
   19   1HB   GLU   3          1HB       GLU   3  -3.295 -14.560  -2.049
   20   2HB   GLU   3          2HB       GLU   3  -3.636 -15.676  -3.393
   21   1HG   GLU   3          1HG       GLU   3  -5.020 -17.098  -1.699
   22   2HG   GLU   3          2HG       GLU   3  -4.836 -15.752  -0.552
   23    H    GLY   4           H        GLY   4   0.010 -17.344  -0.843
   24   1HA   GLY   4          1HA       GLY   4  -1.140 -17.902   1.729
   25   2HA   GLY   4          2HA       GLY   4   0.591 -17.904   1.348
   26    H    THR   5           H        THR   5   1.709 -15.672   1.165
   27    HA   THR   5           HA       THR   5   0.477 -13.822   3.195
   28    HB   THR   5           HB       THR   5   3.405 -14.058   2.366
   29    HG1  THR   5           HG1      THR   5   3.496 -15.495   4.252
   30   1HG2  THR   5          1HG2      THR   5   2.031 -12.929   4.911
   31   2HG2  THR   5          2HG2      THR   5   3.794 -13.057   4.661
   32   3HG2  THR   5          3HG2      THR   5   2.841 -11.948   3.653
   33    H    PHE   6           H        PHE   6  -0.387 -13.909   0.328
   34    HA   PHE   6           HA       PHE   6   0.758 -11.359  -0.669
   35   1HB   PHE   6          1HB       PHE   6  -1.222 -13.371  -1.823
   36   2HB   PHE   6          2HB       PHE   6  -1.192 -11.711  -2.425
   37    HD1  PHE   6           HD1      PHE   6   0.684 -10.796  -3.661
   38    HD2  PHE   6           HD2      PHE   6   0.903 -14.789  -2.063
   39    HE1  PHE   6           HE1      PHE   6   2.595 -11.283  -5.149
   40    HE2  PHE   6           HE2      PHE   6   2.817 -15.274  -3.562
   41    HZ   PHE   6           HZ       PHE   6   3.658 -13.527  -5.115
   42    H    ILE   7           H        ILE   7  -1.749 -12.300   1.647
   43    HA   ILE   7           HA       ILE   7  -3.462 -10.047   0.998
   44    HB   ILE   7           HB       ILE   7  -3.051 -11.514   3.652
   45   1HG1  ILE   7          1HG1      ILE   7  -4.031 -13.007   1.916
   46   2HG1  ILE   7          2HG1      ILE   7  -5.165 -12.652   3.234
   47   1HG2  ILE   7          1HG2      ILE   7  -5.087  -9.334   2.880
   48   2HG2  ILE   7          2HG2      ILE   7  -5.246 -10.384   4.318
   49   3HG2  ILE   7          3HG2      ILE   7  -3.866  -9.274   4.172
   50   1HD1  ILE   7          1HD1      ILE   7  -6.386 -11.013   1.744
   51   2HD1  ILE   7          2HD1      ILE   7  -5.263 -11.406   0.406
   52   3HD1  ILE   7          3HD1      ILE   7  -6.336 -12.657   1.067
   53    H    SER   8           H        SER   8  -0.602 -10.579   3.246
   54    HA   SER   8           HA       SER   8  -0.663  -7.901   4.205
   55   1HB   SER   8          1HB       SER   8   1.817  -9.687   3.842
   56   2HB   SER   8          2HB       SER   8   1.689  -8.263   4.907
   57    HG   SER   8           HG       SER   8   0.019  -9.534   6.072
   58    H    ASP   9           H        ASP   9   1.214  -9.430   1.413
   59    HA   ASP   9           HA       ASP   9   2.560  -7.028   0.755
   60   1HB   ASP   9          1HB       ASP   9   1.677  -9.207  -1.231
   61   2HB   ASP   9          2HB       ASP   9   2.916  -7.960  -1.504
   62    H    TYR  10           H        TYR  10  -0.654  -8.354  -0.369
   63    HA   TYR  10           HA       TYR  10  -1.207  -6.272  -2.209
   64   1HB   TYR  10          1HB       TYR  10  -2.762  -8.140  -2.221
   65   2HB   TYR  10          2HB       TYR  10  -3.071  -7.991  -0.478
   66    HD1  TYR  10           HD1      TYR  10  -4.912  -6.677   0.295
   67    HD2  TYR  10           HD2      TYR  10  -3.407  -6.018  -3.683
   68    HE1  TYR  10           HE1      TYR  10  -6.759  -5.100  -0.146
   69    HE2  TYR  10           HE2      TYR  10  -5.236  -4.423  -4.112
   70    HH   TYR  10           HH       TYR  10  -7.151  -3.315  -3.212
   71    H    SER  11           H        SER  11  -2.021  -6.516   1.371
   72    HA   SER  11           HA       SER  11  -3.413  -4.072   1.447
   73   1HB   SER  11          1HB       SER  11  -3.404  -5.665   3.360
   74   2HB   SER  11          2HB       SER  11  -1.675  -5.302   3.673
   75    HG   SER  11           HG       SER  11  -3.129  -3.931   4.978
   76    H    ILE  12           H        ILE  12   0.156  -4.742   1.825
   77    HA   ILE  12           HA       ILE  12   0.767  -1.978   2.404
   78    HB   ILE  12           HB       ILE  12   2.516  -4.221   1.267
   79   1HG1  ILE  12          1HG1      ILE  12   1.731  -4.613   3.634
   80   2HG1  ILE  12          2HG1      ILE  12   3.491  -4.468   3.465
   81   1HG2  ILE  12          1HG2      ILE  12   4.484  -2.718   1.909
   82   2HG2  ILE  12          2HG2      ILE  12   3.539  -2.150   0.515
   83   3HG2  ILE  12          3HG2      ILE  12   3.318  -1.373   2.103
   84   1HD1  ILE  12          1HD1      ILE  12   1.625  -2.255   4.559
   85   2HD1  ILE  12          2HD1      ILE  12   2.688  -3.321   5.503
   86   3HD1  ILE  12          3HD1      ILE  12   3.404  -2.132   4.394
   87    H    ALA  13           H        ALA  13   0.667  -3.935  -0.685
   88    HA   ALA  13           HA       ALA  13   1.739  -1.853  -2.281
   89   1HB   ALA  13          1HB       ALA  13   0.691  -3.013  -4.227
   90   2HB   ALA  13          2HB       ALA  13   1.485  -4.189  -3.136
   91   3HB   ALA  13          3HB       ALA  13  -0.294  -4.016  -3.122
   92    H    MET  14           H        MET  14  -1.733  -2.665  -1.418
   93    HA   MET  14           HA       MET  14  -2.862  -0.604  -3.014
   94   1HB   MET  14          1HB       MET  14  -4.218  -2.437  -1.896
   95   2HB   MET  14          2HB       MET  14  -3.919  -1.667  -0.321
   96   1HG   MET  14          1HG       MET  14  -5.048   0.487  -1.297
   97   2HG   MET  14          2HG       MET  14  -5.459  -0.493  -2.731
   98   1HE   MET  14          1HE       MET  14  -7.346  -0.757   1.492
   99   2HE   MET  14          2HE       MET  14  -5.567  -0.696   1.292
  100   3HE   MET  14          3HE       MET  14  -6.581   0.682   0.750
  101    H    ASP  15           H        ASP  15  -1.761  -0.673   0.497
  102    HA   ASP  15           HA       ASP  15  -2.464   2.008   1.030
  103   1HB   ASP  15          1HB       ASP  15  -1.741   0.438   2.836
  104   2HB   ASP  15          2HB       ASP  15  -0.082   0.431   2.180
  105    H    LYS  16           H        LYS  16   0.487   0.596  -0.573
  106    HA   LYS  16           HA       LYS  16   1.999   3.021  -0.464
  107   1HB   LYS  16          1HB       LYS  16   2.929   0.755  -0.869
  108   2HB   LYS  16          2HB       LYS  16   2.232   0.727  -2.506
  109   1HG   LYS  16          1HG       LYS  16   4.267   2.838  -1.520
  110   2HG   LYS  16          2HG       LYS  16   4.713   1.307  -2.312
  111   1HD   LYS  16          1HD       LYS  16   3.412   1.967  -4.375
  112   2HD   LYS  16          2HD       LYS  16   3.084   3.557  -3.638
  113   1HE   LYS  16          1HE       LYS  16   5.543   4.007  -3.478
  114   2HE   LYS  16          2HE       LYS  16   5.879   2.416  -4.227
  115   1HZ   LYS  16          1HZ       LYS  16   4.324   4.654  -5.560
  116   2HZ   LYS  16          2HZ       LYS  16   5.957   4.132  -5.950
  117    H    ILE  17           H        ILE  17  -0.129   1.550  -3.076
  118    HA   ILE  17           HA       ILE  17   0.189   3.730  -4.884
  119    HB   ILE  17           HB       ILE  17  -2.216   1.878  -4.418
  120   1HG1  ILE  17          1HG1      ILE  17  -0.171   0.705  -5.281
  121   2HG1  ILE  17          2HG1      ILE  17  -1.555   0.636  -6.384
  122   1HG2  ILE  17          1HG2      ILE  17  -3.161   3.878  -5.415
  123   2HG2  ILE  17          2HG2      ILE  17  -1.843   3.997  -6.609
  124   3HG2  ILE  17          3HG2      ILE  17  -3.037   2.668  -6.710
  125   1HD1  ILE  17          1HD1      ILE  17  -0.516   2.402  -7.842
  126   2HD1  ILE  17          2HD1      ILE  17   0.892   2.489  -6.741
  127   3HD1  ILE  17          3HD1      ILE  17   0.542   0.991  -7.631
  128    H    HIS  18           H        HIS  18  -2.295   3.162  -2.269
  129    HA   HIS  18           HA       HIS  18  -3.645   5.587  -2.778
  130   1HB   HIS  18          1HB       HIS  18  -4.526   3.683  -1.317
  131   2HB   HIS  18          2HB       HIS  18  -3.339   4.162  -0.074
  132    HD1  HIS  18           HD1      HIS  18  -5.362   4.540   1.480
  133    HD2  HIS  18           HD2      HIS  18  -5.249   7.092  -1.868
  134    HE1  HIS  18           HE1      HIS  18  -6.993   6.397   1.968
  135    H    GLN  19           H        GLN  19  -0.673   4.873  -0.830
  136    HA   GLN  19           HA       GLN  19  -0.634   7.068   0.818
  137   1HB   GLN  19          1HB       GLN  19   1.190   5.205   0.671
  138   2HB   GLN  19          2HB       GLN  19   1.869   6.107  -0.708
  139   1HG   GLN  19          1HG       GLN  19   3.088   6.656   1.358
  140   2HG   GLN  19          2HG       GLN  19   2.194   8.090   0.801
  141   1HE2  GLN  19          1HE2      GLN  19   2.500   8.819   3.168
  142   2HE2  GLN  19          2HE2      GLN  19   1.394   8.207   4.342
  143    H    GLN  20           H        GLN  20   0.095   6.977  -2.734
  144    HA   GLN  20           HA       GLN  20   1.151   9.438  -3.208
  145   1HB   GLN  20          1HB       GLN  20   0.334   7.904  -5.038
  146   2HB   GLN  20          2HB       GLN  20  -1.343   8.295  -4.605
  147   1HG   GLN  20          1HG       GLN  20  -0.727  10.811  -5.150
  148   2HG   GLN  20          2HG       GLN  20   0.792  10.171  -5.812
  149   1HE2  GLN  20          1HE2      GLN  20  -2.860   9.846  -5.988
  150   2HE2  GLN  20          2HE2      GLN  20  -2.885   9.438  -7.663
  151    H    ASP  21           H        ASP  21  -2.466   8.889  -2.536
  152    HA   ASP  21           HA       ASP  21  -2.986  11.648  -2.849
  153   1HB   ASP  21          1HB       ASP  21  -5.161  11.344  -2.021
  154   2HB   ASP  21          2HB       ASP  21  -4.783   9.804  -2.830
  155    H    PHE  22           H        PHE  22  -1.998   9.708   0.062
  156    HA   PHE  22           HA       PHE  22  -2.623  11.750   1.936
  157   1HB   PHE  22          1HB       PHE  22  -2.105   9.358   2.560
  158   2HB   PHE  22          2HB       PHE  22  -0.395   9.632   2.169
  159    HD1  PHE  22           HD1      PHE  22  -3.222  10.633   4.409
  160    HD2  PHE  22           HD2      PHE  22   1.006  11.005   3.696
  161    HE1  PHE  22           HE1      PHE  22  -2.928  11.611   6.662
  162    HE2  PHE  22           HE2      PHE  22   1.304  11.924   5.976
  163    HZ   PHE  22           HZ       PHE  22  -0.664  12.255   7.452
  164    H    VAL  23           H        VAL  23   0.440  11.010   0.081
  165    HA   VAL  23           HA       VAL  23   1.880  13.155   1.397
  166    HB   VAL  23           HB       VAL  23   2.461  11.572  -1.155
  167   1HG1  VAL  23          1HG1      VAL  23   4.171  13.766   0.195
  168   2HG1  VAL  23          2HG1      VAL  23   4.768  12.632  -1.053
  169   3HG1  VAL  23          3HG1      VAL  23   3.490  13.802  -1.458
  170   1HG2  VAL  23          1HG2      VAL  23   4.185  10.476   0.248
  171   2HG2  VAL  23          2HG2      VAL  23   3.853  11.596   1.603
  172   3HG2  VAL  23          3HG2      VAL  23   2.625  10.405   1.113
  173    H    ASN  24           H        ASN  24   0.269  12.836  -1.886
  174    HA   ASN  24           HA       ASN  24   0.748  15.471  -2.710
  175   1HB   ASN  24          1HB       ASN  24  -0.397  13.720  -4.121
  176   2HB   ASN  24          2HB       ASN  24  -1.853  13.868  -3.096
  177   1HD2  ASN  24          1HD2      ASN  24  -2.608  14.256  -5.545
  178   2HD2  ASN  24          2HD2      ASN  24  -2.663  15.918  -6.007
  179    H    TRP  25           H        TRP  25  -1.756  14.182  -0.403
  180    HA   TRP  25           HA       TRP  25  -3.212  16.627  -0.242
  181   1HB   TRP  25          1HB       TRP  25  -4.299  14.605   0.502
  182   2HB   TRP  25          2HB       TRP  25  -3.033  14.264   1.709
  183    HD1  TRP  25           HD1      TRP  25  -6.063  16.580   1.193
  184    HE1  TRP  25           HE1      TRP  25  -6.626  17.651   3.408
  185    HE3  TRP  25           HE3      TRP  25  -2.040  14.916   3.999
  186    HZ2  TRP  25           HZ2      TRP  25  -5.565  17.934   5.923
  187    HZ3  TRP  25           HZ3      TRP  25  -1.846  15.765   6.348
  188    HH2  TRP  25           HH2      TRP  25  -3.586  17.250   7.294
  189    H    LEU  26           H        LEU  26  -0.493  15.337   1.927
  190    HA   LEU  26           HA       LEU  26  -0.720  17.693   3.570
  191   1HB   LEU  26          1HB       LEU  26   1.246  17.055   4.754
  192   2HB   LEU  26          2HB       LEU  26   0.276  15.615   4.405
  193    HG   LEU  26           HG       LEU  26   1.949  15.392   2.308
  194   1HD1  LEU  26          1HD1      LEU  26   3.730  16.900   4.313
  195   2HD1  LEU  26          2HD1      LEU  26   4.254  16.131   2.787
  196   3HD1  LEU  26          3HD1      LEU  26   3.200  17.563   2.747
  197   1HD2  LEU  26          1HD2      LEU  26   1.709  13.686   4.061
  198   2HD2  LEU  26          2HD2      LEU  26   3.433  13.920   3.684
  199   3HD2  LEU  26          3HD2      LEU  26   2.743  14.633   5.174
  200    H    LEU  27           H        LEU  27   1.165  16.962   0.560
  201    HA   LEU  27           HA       LEU  27   2.733  19.396   0.754
  202   1HB   LEU  27          1HB       LEU  27   1.863  17.772  -1.706
  203   2HB   LEU  27          2HB       LEU  27   3.034  19.111  -1.750
  204    HG   LEU  27           HG       LEU  27   3.467  16.506  -0.148
  205   1HD1  LEU  27          1HD1      LEU  27   4.620  17.359  -2.881
  206   2HD1  LEU  27          2HD1      LEU  27   5.048  15.877  -1.980
  207   3HD1  LEU  27          3HD1      LEU  27   3.398  16.081  -2.626
  208   1HD2  LEU  27          1HD2      LEU  27   4.813  18.370   0.814
  209   2HD2  LEU  27          2HD2      LEU  27   5.872  17.271  -0.085
  210   3HD2  LEU  27          3HD2      LEU  27   5.387  18.825  -0.816
  211    H    ALA  28           H        ALA  28  -0.546  18.566  -0.616
  212    HA   ALA  28           HA       ALA  28  -0.908  21.182  -1.766
  213   1HB   ALA  28          1HB       ALA  28  -3.343  20.644  -1.735
  214   2HB   ALA  28          2HB       ALA  28  -2.393  19.267  -2.374
  215   3HB   ALA  28          3HB       ALA  28  -3.036  19.215  -0.707
  216    H    GLN  29           H        GLN  29  -1.522  19.730   1.533
  217    HA   GLN  29           HA       GLN  29  -2.319  22.469   2.503
  218   1HB   GLN  29          1HB       GLN  29  -3.061  19.689   3.591
  219   2HB   GLN  29          2HB       GLN  29  -3.575  21.277   4.233
  220   1HG   GLN  29          1HG       GLN  29  -4.664  21.770   1.968
  221   2HG   GLN  29          2HG       GLN  29  -4.249  20.110   1.453
  222   1HE2  GLN  29          1HE2      GLN  29  -6.831  20.456   1.185
  223   2HE2  GLN  29          2HE2      GLN  29  -7.743  19.862   2.524
  224    H    LYS  30           H        LYS  30   0.168  22.760   2.453
  225    HA   LYS  30           HA       LYS  30   1.686  21.315   4.483
  226   1HB   LYS  30          1HB       LYS  30   2.153  24.057   3.170
  227   2HB   LYS  30          2HB       LYS  30   3.304  23.287   4.292
  228   1HG   LYS  30          1HG       LYS  30   3.671  21.388   2.788
  229   2HG   LYS  30          2HG       LYS  30   2.359  21.921   1.711
  230   1HD   LYS  30          1HD       LYS  30   3.615  23.989   1.115
  231   2HD   LYS  30          2HD       LYS  30   4.941  23.522   2.216
  232   1HE   LYS  30          1HE       LYS  30   5.397  21.483   0.830
  233   2HE   LYS  30          2HE       LYS  30   4.018  21.870  -0.235
  234   1HZ   LYS  30          1HZ       LYS  30   5.148  23.925  -0.965
  235   2HZ   LYS  30          2HZ       LYS  30   6.496  23.597   0.118
  Start of MODEL   18
    1   1H    TYR   1          1H        TYR   1   3.311 -19.234  -4.732
    2   2H    TYR   1          2H        TYR   1   1.933 -18.770  -5.681
    3   3H    TYR   1          3H        TYR   1   3.087 -19.879  -6.342
    4    HA   TYR   1           HA       TYR   1   1.084 -21.076  -5.632
    5   1HB   TYR   1          1HB       TYR   1   3.465 -21.567  -3.735
    6   2HB   TYR   1          2HB       TYR   1   2.080 -22.665  -3.901
    7    HD1  TYR   1           HD1      TYR   1   1.633 -23.855  -6.047
    8    HD2  TYR   1           HD2      TYR   1   5.169 -21.452  -5.552
    9    HE1  TYR   1           HE1      TYR   1   2.630 -24.923  -8.029
   10    HE2  TYR   1           HE2      TYR   1   6.156 -22.502  -7.562
   11    HH   TYR   1           HH       TYR   1   4.495 -24.985  -9.519
   12    H    ALA   2           H        ALA   2  -0.727 -21.197  -4.151
   13    HA   ALA   2           HA       ALA   2  -2.071 -20.557  -2.397
   14   1HB   ALA   2          1HB       ALA   2  -0.303 -22.010  -1.283
   15   2HB   ALA   2          2HB       ALA   2   0.567 -20.526  -0.802
   16   3HB   ALA   2          3HB       ALA   2  -1.066 -20.850  -0.169
   17    H    GLU   3           H        GLU   3  -2.268 -18.840  -0.431
   18    HA   GLU   3           HA       GLU   3  -0.972 -16.260  -1.202
   19   1HB   GLU   3          1HB       GLU   3  -3.248 -15.146  -0.949
   20   2HB   GLU   3          2HB       GLU   3  -3.048 -16.103  -2.436
   21   1HG   GLU   3          1HG       GLU   3  -4.464 -17.174   0.086
   22   2HG   GLU   3          2HG       GLU   3  -5.304 -16.366  -1.259
   23    H    GLY   4           H        GLY   4   0.109 -17.698   0.714
   24   1HA   GLY   4          1HA       GLY   4  -1.256 -17.712   3.204
   25   2HA   GLY   4          2HA       GLY   4   0.505 -17.818   3.011
   26    H    THR   5           H        THR   5   1.651 -15.614   2.404
   27    HA   THR   5           HA       THR   5   0.416 -13.499   4.161
   28    HB   THR   5           HB       THR   5   3.371 -13.908   3.461
   29    HG1  THR   5           HG1      THR   5   2.560 -15.691   4.811
   30   1HG2  THR   5          1HG2      THR   5   2.922 -11.591   4.294
   31   2HG2  THR   5          2HG2      THR   5   1.958 -12.244   5.652
   32   3HG2  THR   5          3HG2      THR   5   3.714 -12.539   5.564
   33    H    PHE   6           H        PHE   6  -0.341 -14.020   1.282
   34    HA   PHE   6           HA       PHE   6   0.967 -11.874  -0.204
   35   1HB   PHE   6          1HB       PHE   6  -0.093 -13.755  -1.433
   36   2HB   PHE   6          2HB       PHE   6  -1.659 -13.395  -0.671
   37    HD1  PHE   6           HD1      PHE   6   1.024 -11.803  -2.803
   38    HD2  PHE   6           HD2      PHE   6  -3.140 -11.790  -1.707
   39    HE1  PHE   6           HE1      PHE   6   0.539 -10.219  -4.641
   40    HE2  PHE   6           HE2      PHE   6  -3.633 -10.288  -3.606
   41    HZ   PHE   6           HZ       PHE   6  -1.794  -9.487  -5.072
   42    H    ILE   7           H        ILE   7  -2.110 -12.315   1.746
   43    HA   ILE   7           HA       ILE   7  -3.321  -9.979   1.046
   44    HB   ILE   7           HB       ILE   7  -4.276 -11.664   2.654
   45   1HG1  ILE   7          1HG1      ILE   7  -5.503 -10.100   4.165
   46   2HG1  ILE   7          2HG1      ILE   7  -4.416  -8.770   3.711
   47   1HG2  ILE   7          1HG2      ILE   7  -3.740 -11.600   5.063
   48   2HG2  ILE   7          2HG2      ILE   7  -2.234 -11.882   4.159
   49   3HG2  ILE   7          3HG2      ILE   7  -2.591 -10.262   4.826
   50   1HD1  ILE   7          1HD1      ILE   7  -5.301  -8.822   1.368
   51   2HD1  ILE   7          2HD1      ILE   7  -6.216 -10.321   1.727
   52   3HD1  ILE   7          3HD1      ILE   7  -6.665  -8.777   2.504
   53    H    SER   8           H        SER   8  -0.451 -10.280   3.256
   54    HA   SER   8           HA       SER   8  -0.626  -7.547   4.150
   55   1HB   SER   8          1HB       SER   8   1.855  -9.367   3.965
   56   2HB   SER   8          2HB       SER   8   1.790  -7.765   4.746
   57    HG   SER   8           HG       SER   8   0.213 -10.009   5.604
   58    H    ASP   9           H        ASP   9   1.307  -9.228   1.489
   59    HA   ASP   9           HA       ASP   9   2.518  -6.878   0.522
   60   1HB   ASP   9          1HB       ASP   9   1.552  -9.302  -1.126
   61   2HB   ASP   9          2HB       ASP   9   2.654  -8.030  -1.708
   62    H    TYR  10           H        TYR  10  -0.794  -8.255  -0.172
   63    HA   TYR  10           HA       TYR  10  -1.380  -6.399  -2.252
   64   1HB   TYR  10          1HB       TYR  10  -2.736  -8.481  -1.761
   65   2HB   TYR  10          2HB       TYR  10  -3.370  -7.718  -0.292
   66    HD1  TYR  10           HD1      TYR  10  -4.935  -5.762  -0.461
   67    HD2  TYR  10           HD2      TYR  10  -3.360  -7.617  -4.011
   68    HE1  TYR  10           HE1      TYR  10  -6.654  -4.625  -1.831
   69    HE2  TYR  10           HE2      TYR  10  -5.104  -6.532  -5.362
   70    HH   TYR  10           HH       TYR  10  -7.062  -5.159  -5.334
   71    H    SER  11           H        SER  11  -1.961  -6.316   1.359
   72    HA   SER  11           HA       SER  11  -3.425  -3.842   1.255
   73   1HB   SER  11          1HB       SER  11  -1.851  -5.105   3.588
   74   2HB   SER  11          2HB       SER  11  -2.927  -3.687   3.716
   75    HG   SER  11           HG       SER  11  -3.833  -6.286   2.889
   76    H    ILE  12           H        ILE  12   0.099  -4.659   1.635
   77    HA   ILE  12           HA       ILE  12   0.870  -1.952   2.274
   78    HB   ILE  12           HB       ILE  12   2.447  -4.306   1.103
   79   1HG1  ILE  12          1HG1      ILE  12   2.664  -3.029   3.904
   80   2HG1  ILE  12          2HG1      ILE  12   1.505  -4.328   3.574
   81   1HG2  ILE  12          1HG2      ILE  12   4.528  -2.947   1.603
   82   2HG2  ILE  12          2HG2      ILE  12   3.537  -2.208   0.338
   83   3HG2  ILE  12          3HG2      ILE  12   3.491  -1.549   1.997
   84   1HD1  ILE  12          1HD1      ILE  12   4.561  -4.606   3.284
   85   2HD1  ILE  12          2HD1      ILE  12   3.527  -5.305   4.551
   86   3HD1  ILE  12          3HD1      ILE  12   3.360  -5.864   2.864
   87    H    ALA  13           H        ALA  13   0.694  -3.884  -0.841
   88    HA   ALA  13           HA       ALA  13   1.669  -1.783  -2.475
   89   1HB   ALA  13          1HB       ALA  13  -0.405  -3.953  -3.199
   90   2HB   ALA  13          2HB       ALA  13   0.483  -2.928  -4.364
   91   3HB   ALA  13          3HB       ALA  13   1.371  -4.104  -3.348
   92    H    MET  14           H        MET  14  -1.734  -2.620  -1.406
   93    HA   MET  14           HA       MET  14  -2.968  -0.586  -2.935
   94   1HB   MET  14          1HB       MET  14  -4.199  -2.471  -1.664
   95   2HB   MET  14          2HB       MET  14  -3.822  -1.603  -0.163
   96   1HG   MET  14          1HG       MET  14  -5.940  -0.703  -0.498
   97   2HG   MET  14          2HG       MET  14  -5.106   0.444  -1.571
   98   1HE   MET  14          1HE       MET  14  -6.067  -1.168  -5.126
   99   2HE   MET  14          2HE       MET  14  -5.006   0.010  -4.289
  100   3HE   MET  14          3HE       MET  14  -4.605  -1.750  -4.279
  101    H    ASP  15           H        ASP  15  -1.598  -0.544   0.459
  102    HA   ASP  15           HA       ASP  15  -2.326   2.152   0.964
  103   1HB   ASP  15          1HB       ASP  15  -1.497   0.663   2.784
  104   2HB   ASP  15          2HB       ASP  15   0.106   0.577   2.005
  105    H    LYS  16           H        LYS  16   0.588   0.696  -0.701
  106    HA   LYS  16           HA       LYS  16   2.028   3.145  -0.824
  107   1HB   LYS  16          1HB       LYS  16   3.019   0.881  -1.284
  108   2HB   LYS  16          2HB       LYS  16   2.122   0.810  -2.827
  109   1HG   LYS  16          1HG       LYS  16   3.342   2.868  -3.623
  110   2HG   LYS  16          2HG       LYS  16   4.222   2.942  -2.069
  111   1HD   LYS  16          1HD       LYS  16   5.221   0.662  -2.546
  112   2HD   LYS  16          2HD       LYS  16   4.348   0.620  -4.103
  113   1HE   LYS  16          1HE       LYS  16   5.619   2.667  -4.858
  114   2HE   LYS  16          2HE       LYS  16   6.467   2.708  -3.281
  115   1HZ   LYS  16          1HZ       LYS  16   6.621   0.417  -5.271
  116   2HZ   LYS  16          2HZ       LYS  16   7.888   1.582  -4.917
  117    H    ILE  17           H        ILE  17  -0.477   1.668  -3.048
  118    HA   ILE  17           HA       ILE  17  -0.168   3.738  -5.040
  119    HB   ILE  17           HB       ILE  17  -2.593   1.987  -4.349
  120   1HG1  ILE  17          1HG1      ILE  17  -0.653   0.677  -5.229
  121   2HG1  ILE  17          2HG1      ILE  17  -2.071   0.635  -6.290
  122   1HG2  ILE  17          1HG2      ILE  17  -3.483   3.990  -5.403
  123   2HG2  ILE  17          2HG2      ILE  17  -2.229   3.972  -6.667
  124   3HG2  ILE  17          3HG2      ILE  17  -3.489   2.703  -6.630
  125   1HD1  ILE  17          1HD1      ILE  17  -0.971   2.288  -7.844
  126   2HD1  ILE  17          2HD1      ILE  17   0.471   2.321  -6.785
  127   3HD1  ILE  17          3HD1      ILE  17   0.001   0.818  -7.608
  128    H    HIS  18           H        HIS  18  -2.450   3.318  -2.210
  129    HA   HIS  18           HA       HIS  18  -3.714   5.812  -2.707
  130   1HB   HIS  18          1HB       HIS  18  -4.628   3.934  -1.215
  131   2HB   HIS  18          2HB       HIS  18  -3.389   4.379  -0.011
  132    HD1  HIS  18           HD1      HIS  18  -5.178   4.992   1.686
  133    HD2  HIS  18           HD2      HIS  18  -5.455   7.193  -1.891
  134    HE1  HIS  18           HE1      HIS  18  -6.791   6.875   2.152
  135    H    GLN  19           H        GLN  19  -0.617   5.015  -1.062
  136    HA   GLN  19           HA       GLN  19  -0.384   7.209   0.628
  137   1HB   GLN  19          1HB       GLN  19   1.305   5.386   0.545
  138   2HB   GLN  19          2HB       GLN  19   1.834   5.916  -1.076
  139   1HG   GLN  19          1HG       GLN  19   2.596   8.096  -0.163
  140   2HG   GLN  19          2HG       GLN  19   2.053   7.628   1.473
  141   1HE2  GLN  19          1HE2      GLN  19   3.077   5.436   2.338
  142   2HE2  GLN  19          2HE2      GLN  19   4.728   5.177   1.912
  143    H    GLN  20           H        GLN  20   0.228   6.995  -2.967
  144    HA   GLN  20           HA       GLN  20   1.310   9.462  -3.477
  145   1HB   GLN  20          1HB       GLN  20   0.706   7.914  -5.276
  146   2HB   GLN  20          2HB       GLN  20  -1.031   8.084  -4.939
  147   1HG   GLN  20          1HG       GLN  20   0.806  10.366  -5.906
  148   2HG   GLN  20          2HG       GLN  20  -0.223   9.385  -6.976
  149   1HE2  GLN  20          1HE2      GLN  20  -2.739   9.281  -6.154
  150   2HE2  GLN  20          2HE2      GLN  20  -3.353  10.841  -5.752
  151    H    ASP  21           H        ASP  21  -2.257   8.818  -2.880
  152    HA   ASP  21           HA       ASP  21  -2.952  11.577  -3.106
  153   1HB   ASP  21          1HB       ASP  21  -4.392   9.424  -1.452
  154   2HB   ASP  21          2HB       ASP  21  -5.066  10.990  -1.962
  155    H    PHE  22           H        PHE  22  -2.059   9.513  -0.192
  156    HA   PHE  22           HA       PHE  22  -2.730  11.515   1.683
  157   1HB   PHE  22          1HB       PHE  22  -2.245   9.157   2.358
  158   2HB   PHE  22          2HB       PHE  22  -0.532   9.376   1.942
  159    HD1  PHE  22           HD1      PHE  22   0.961  10.459   3.551
  160    HD2  PHE  22           HD2      PHE  22  -3.297  10.705   4.128
  161    HE1  PHE  22           HE1      PHE  22   1.315  11.380   5.820
  162    HE2  PHE  22           HE2      PHE  22  -2.936  11.718   6.355
  163    HZ   PHE  22           HZ       PHE  22  -0.628  12.052   7.209
  164    H    VAL  23           H        VAL  23   0.462  10.860   0.018
  165    HA   VAL  23           HA       VAL  23   1.785  12.944   1.528
  166    HB   VAL  23           HB       VAL  23   2.578  11.488  -1.043
  167   1HG1  VAL  23          1HG1      VAL  23   3.616  13.728  -1.139
  168   2HG1  VAL  23          2HG1      VAL  23   4.161  13.598   0.560
  169   3HG1  VAL  23          3HG1      VAL  23   4.861  12.534  -0.698
  170   1HG2  VAL  23          1HG2      VAL  23   2.562  10.188   1.174
  171   2HG2  VAL  23          2HG2      VAL  23   4.188  10.327   0.450
  172   3HG2  VAL  23          3HG2      VAL  23   3.726  11.365   1.829
  173    H    ASN  24           H        ASN  24   0.366  12.768  -1.855
  174    HA   ASN  24           HA       ASN  24   0.895  15.453  -2.513
  175   1HB   ASN  24          1HB       ASN  24  -0.095  13.818  -4.103
  176   2HB   ASN  24          2HB       ASN  24  -1.622  13.808  -3.170
  177   1HD2  ASN  24          1HD2      ASN  24  -2.322  14.353  -5.572
  178   2HD2  ASN  24          2HD2      ASN  24  -2.405  16.036  -5.940
  179    H    TRP  25           H        TRP  25  -1.722  14.034  -0.413
  180    HA   TRP  25           HA       TRP  25  -3.194  16.472  -0.209
  181   1HB   TRP  25          1HB       TRP  25  -4.322  14.429   0.397
  182   2HB   TRP  25          2HB       TRP  25  -3.107  14.016   1.629
  183    HD1  TRP  25           HD1      TRP  25  -6.081  16.400   1.137
  184    HE1  TRP  25           HE1      TRP  25  -6.700  17.367   3.387
  185    HE3  TRP  25           HE3      TRP  25  -2.194  14.506   3.992
  186    HZ2  TRP  25           HZ2      TRP  25  -5.718  17.507   5.942
  187    HZ3  TRP  25           HZ3      TRP  25  -2.052  15.252   6.379
  188    HH2  TRP  25           HH2      TRP  25  -3.790  16.732   7.338
  189    H    LEU  26           H        LEU  26  -0.593  15.056   2.033
  190    HA   LEU  26           HA       LEU  26  -0.919  17.293   3.793
  191   1HB   LEU  26          1HB       LEU  26   1.001  16.626   5.024
  192   2HB   LEU  26          2HB       LEU  26   0.117  15.176   4.522
  193    HG   LEU  26           HG       LEU  26   1.900  15.171   2.509
  194   1HD1  LEU  26          1HD1      LEU  26   4.141  15.992   3.149
  195   2HD1  LEU  26          2HD1      LEU  26   3.027  17.374   3.165
  196   3HD1  LEU  26          3HD1      LEU  26   3.513  16.616   4.699
  197   1HD2  LEU  26          1HD2      LEU  26   1.665  13.345   4.137
  198   2HD2  LEU  26          2HD2      LEU  26   3.390  13.686   3.862
  199   3HD2  LEU  26          3HD2      LEU  26   2.594  14.267   5.356
  200    H    LEU  27           H        LEU  27   1.156  16.777   0.852
  201    HA   LEU  27           HA       LEU  27   2.675  19.195   1.287
  202   1HB   LEU  27          1HB       LEU  27   1.936  17.754  -1.327
  203   2HB   LEU  27          2HB       LEU  27   3.093  19.100  -1.221
  204    HG   LEU  27           HG       LEU  27   3.479  16.401   0.233
  205   1HD1  LEU  27          1HD1      LEU  27   3.490  16.089  -2.254
  206   2HD1  LEU  27          2HD1      LEU  27   4.699  17.394  -2.420
  207   3HD1  LEU  27          3HD1      LEU  27   5.125  15.876  -1.579
  208   1HD2  LEU  27          1HD2      LEU  27   5.873  17.158   0.422
  209   2HD2  LEU  27          2HD2      LEU  27   5.421  18.744  -0.261
  210   3HD2  LEU  27          3HD2      LEU  27   4.787  18.225   1.328
  211    H    ALA  28           H        ALA  28  -0.387  18.448  -0.564
  212    HA   ALA  28           HA       ALA  28  -0.773  21.062  -1.542
  213   1HB   ALA  28          1HB       ALA  28  -2.943  19.070  -0.610
  214   2HB   ALA  28          2HB       ALA  28  -3.214  20.507  -1.637
  215   3HB   ALA  28          3HB       ALA  28  -2.227  19.146  -2.247
  216    H    GLN  29           H        GLN  29  -1.626  19.573   1.690
  217    HA   GLN  29           HA       GLN  29  -2.429  22.315   2.630
  218   1HB   GLN  29          1HB       GLN  29  -3.009  19.561   3.858
  219   2HB   GLN  29          2HB       GLN  29  -3.573  21.154   4.442
  220   1HG   GLN  29          1HG       GLN  29  -4.724  21.500   2.173
  221   2HG   GLN  29          2HG       GLN  29  -4.290  19.819   1.747
  222   1HE2  GLN  29          1HE2      GLN  29  -6.909  20.229   1.554
  223   2HE2  GLN  29          2HE2      GLN  29  -7.772  19.667   2.938
  224    H    LYS  30           H        LYS  30   0.196  22.247   2.164
  225    HA   LYS  30           HA       LYS  30   2.133  22.772   3.217
  226   1HB   LYS  30          1HB       LYS  30   0.233  23.796   4.857
  227   2HB   LYS  30          2HB       LYS  30   0.875  22.584   5.979
  228   1HG   LYS  30          1HG       LYS  30   2.127  24.550   6.464
  229   2HG   LYS  30          2HG       LYS  30   3.241  23.607   5.438
  230   1HD   LYS  30          1HD       LYS  30   2.488  25.056   3.437
  231   2HD   LYS  30          2HD       LYS  30   1.413  25.949   4.541
  232   1HE   LYS  30          1HE       LYS  30   3.421  26.692   5.875
  233   2HE   LYS  30          2HE       LYS  30   4.486  25.802   4.753
  234   1HZ   LYS  30          1HZ       LYS  30   3.715  27.257   2.903
  235   2HZ   LYS  30          2HZ       LYS  30   2.674  28.138   4.025
  Start of MODEL   19
    1   1H    TYR   1          1H        TYR   1  -1.026 -25.018  -3.428
    2   2H    TYR   1          2H        TYR   1   0.531 -25.084  -4.205
    3   3H    TYR   1          3H        TYR   1  -0.788 -24.197  -4.927
    4    HA   TYR   1           HA       TYR   1   0.498 -23.535  -2.263
    5   1HB   TYR   1          1HB       TYR   1   1.516 -21.552  -3.406
    6   2HB   TYR   1          2HB       TYR   1   2.093 -23.070  -4.111
    7    HD1  TYR   1           HD1      TYR   1  -0.268 -20.191  -4.606
    8    HD2  TYR   1           HD2      TYR   1   1.575 -23.620  -6.447
    9    HE1  TYR   1           HE1      TYR   1  -1.077 -19.449  -6.819
   10    HE2  TYR   1           HE2      TYR   1   0.793 -22.863  -8.650
   11    HH   TYR   1           HH       TYR   1  -0.395 -21.182  -9.865
   12    H    ALA   2           H        ALA   2  -0.140 -21.178  -1.592
   13    HA   ALA   2           HA       ALA   2  -2.764 -20.329  -2.698
   14   1HB   ALA   2          1HB       ALA   2  -2.317 -21.195   0.234
   15   2HB   ALA   2          2HB       ALA   2  -3.833 -20.500  -0.415
   16   3HB   ALA   2          3HB       ALA   2  -3.283 -22.109  -0.965
   17    H    GLU   3           H        GLU   3  -3.524 -18.253  -1.427
   18    HA   GLU   3           HA       GLU   3  -1.161 -16.503  -1.332
   19   1HB   GLU   3          1HB       GLU   3  -4.158 -15.939  -0.933
   20   2HB   GLU   3          2HB       GLU   3  -2.884 -14.703  -0.822
   21   1HG   GLU   3          1HG       GLU   3  -2.175 -15.191  -3.193
   22   2HG   GLU   3          2HG       GLU   3  -3.442 -16.440  -3.313
   23    H    GLY   4           H        GLY   4  -0.102 -17.729   0.535
   24   1HA   GLY   4          1HA       GLY   4  -1.443 -17.751   3.098
   25   2HA   GLY   4          2HA       GLY   4   0.295 -17.997   2.829
   26    H    THR   5           H        THR   5   1.596 -15.914   2.162
   27    HA   THR   5           HA       THR   5   0.610 -13.661   3.900
   28    HB   THR   5           HB       THR   5   3.467 -14.242   2.976
   29    HG1  THR   5           HG1      THR   5   2.193 -15.299   5.314
   30   1HG2  THR   5          1HG2      THR   5   2.356 -12.735   5.439
   31   2HG2  THR   5          2HG2      THR   5   4.080 -13.043   5.099
   32   3HG2  THR   5          3HG2      THR   5   3.150 -11.965   4.035
   33    H    PHE   6           H        PHE   6  -0.287 -14.164   1.020
   34    HA   PHE   6           HA       PHE   6   1.173 -12.056  -0.415
   35   1HB   PHE   6          1HB       PHE   6  -0.379 -14.253  -1.307
   36   2HB   PHE   6          2HB       PHE   6  -1.436 -12.867  -1.621
   37    HD1  PHE   6           HD1      PHE   6  -0.878 -11.461  -3.571
   38    HD2  PHE   6           HD2      PHE   6   2.043 -14.220  -2.027
   39    HE1  PHE   6           HE1      PHE   6   0.506 -11.141  -5.599
   40    HE2  PHE   6           HE2      PHE   6   3.427 -13.893  -4.052
   41    HZ   PHE   6           HZ       PHE   6   2.651 -12.367  -5.852
   42    H    ILE   7           H        ILE   7  -1.918 -12.476   1.437
   43    HA   ILE   7           HA       ILE   7  -3.158 -10.088   0.635
   44    HB   ILE   7           HB       ILE   7  -3.148 -11.485   3.360
   45   1HG1  ILE   7          1HG1      ILE   7  -5.389 -11.254   1.238
   46   2HG1  ILE   7          2HG1      ILE   7  -4.239 -12.607   1.272
   47   1HG2  ILE   7          1HG2      ILE   7  -3.625  -9.077   3.788
   48   2HG2  ILE   7          2HG2      ILE   7  -4.841  -9.062   2.480
   49   3HG2  ILE   7          3HG2      ILE   7  -5.118  -9.998   3.975
   50   1HD1  ILE   7          1HD1      ILE   7  -6.274 -13.340   2.371
   51   2HD1  ILE   7          2HD1      ILE   7  -4.993 -13.206   3.607
   52   3HD1  ILE   7          3HD1      ILE   7  -6.274 -11.962   3.492
   53    H    SER   8           H        SER   8  -0.474 -10.622   3.090
   54    HA   SER   8           HA       SER   8  -0.427  -7.979   4.024
   55   1HB   SER   8          1HB       SER   8   2.014  -9.766   3.480
   56   2HB   SER   8          2HB       SER   8   1.985  -8.301   4.514
   57    HG   SER   8           HG       SER   8   1.587 -10.279   5.782
   58    H    ASP   9           H        ASP   9   1.320  -9.362   1.055
   59    HA   ASP   9           HA       ASP   9   2.433  -6.819   0.444
   60   1HB   ASP   9          1HB       ASP   9   2.961  -7.617  -1.781
   61   2HB   ASP   9          2HB       ASP   9   3.340  -8.870  -0.574
   62    H    TYR  10           H        TYR  10  -0.803  -8.283  -0.378
   63    HA   TYR  10           HA       TYR  10  -1.455  -6.275  -2.299
   64   1HB   TYR  10          1HB       TYR  10  -2.844  -8.326  -2.067
   65   2HB   TYR  10          2HB       TYR  10  -3.354  -7.835  -0.439
   66    HD1  TYR  10           HD1      TYR  10  -4.896  -5.923  -0.094
   67    HD2  TYR  10           HD2      TYR  10  -3.679  -7.061  -4.063
   68    HE1  TYR  10           HE1      TYR  10  -6.654  -4.486  -1.038
   69    HE2  TYR  10           HE2      TYR  10  -5.474  -5.646  -5.010
   70    HH   TYR  10           HH       TYR  10  -7.737  -3.724  -3.025
   71    H    SER  11           H        SER  11  -2.082  -6.471   1.315
   72    HA   SER  11           HA       SER  11  -3.517  -4.011   1.391
   73   1HB   SER  11          1HB       SER  11  -1.831  -5.302   3.627
   74   2HB   SER  11          2HB       SER  11  -3.135  -4.101   3.852
   75    HG   SER  11           HG       SER  11  -4.574  -5.791   2.927
   76    H    ILE  12           H        ILE  12   0.013  -4.796   1.837
   77    HA   ILE  12           HA       ILE  12   0.733  -2.114   2.590
   78    HB   ILE  12           HB       ILE  12   2.373  -4.362   1.306
   79   1HG1  ILE  12          1HG1      ILE  12   2.523  -3.242   4.176
   80   2HG1  ILE  12          2HG1      ILE  12   1.428  -4.570   3.757
   81   1HG2  ILE  12          1HG2      ILE  12   4.419  -2.983   1.891
   82   2HG2  ILE  12          2HG2      ILE  12   3.414  -2.190   0.671
   83   3HG2  ILE  12          3HG2      ILE  12   3.346  -1.637   2.367
   84   1HD1  ILE  12          1HD1      ILE  12   3.366  -5.969   2.972
   85   2HD1  ILE  12          2HD1      ILE  12   4.497  -4.691   3.510
   86   3HD1  ILE  12          3HD1      ILE  12   3.468  -5.524   4.697
   87    H    ALA  13           H        ALA  13   0.664  -3.882  -0.624
   88    HA   ALA  13           HA       ALA  13   1.617  -1.679  -2.121
   89   1HB   ALA  13          1HB       ALA  13   1.407  -3.958  -3.120
   90   2HB   ALA  13          2HB       ALA  13  -0.377  -3.861  -3.015
   91   3HB   ALA  13          3HB       ALA  13   0.517  -2.756  -4.102
   92    H    MET  14           H        MET  14  -1.783  -2.588  -1.107
   93    HA   MET  14           HA       MET  14  -3.046  -0.620  -2.704
   94   1HB   MET  14          1HB       MET  14  -4.291  -2.465  -1.504
   95   2HB   MET  14          2HB       MET  14  -3.978  -1.642   0.046
   96   1HG   MET  14          1HG       MET  14  -5.252   0.412  -0.865
   97   2HG   MET  14          2HG       MET  14  -5.580  -0.520  -2.353
   98   1HE   MET  14          1HE       MET  14  -7.561  -1.122   1.790
   99   2HE   MET  14          2HE       MET  14  -5.781  -0.959   1.653
  100   3HE   MET  14          3HE       MET  14  -6.851   0.395   1.154
  101    H    ASP  15           H        ASP  15  -1.808  -0.500   0.755
  102    HA   ASP  15           HA       ASP  15  -2.534   2.216   1.147
  103   1HB   ASP  15          1HB       ASP  15  -1.769   0.856   3.064
  104   2HB   ASP  15          2HB       ASP  15  -0.158   0.650   2.327
  105    H    LYS  16           H        LYS  16   0.518   0.689  -0.166
  106    HA   LYS  16           HA       LYS  16   1.994   3.046  -0.346
  107   1HB   LYS  16          1HB       LYS  16   2.760   0.563  -0.902
  108   2HB   LYS  16          2HB       LYS  16   2.091   0.872  -2.519
  109   1HG   LYS  16          1HG       LYS  16   4.402   1.338  -2.749
  110   2HG   LYS  16          2HG       LYS  16   3.707   2.968  -2.551
  111   1HD   LYS  16          1HD       LYS  16   4.314   2.792  -0.036
  112   2HD   LYS  16          2HD       LYS  16   5.106   1.236  -0.391
  113   1HE   LYS  16          1HE       LYS  16   5.907   3.971  -1.576
  114   2HE   LYS  16          2HE       LYS  16   6.712   3.116  -0.230
  115   1HZ   LYS  16          1HZ       LYS  16   6.608   2.208  -3.123
  116   2HZ   LYS  16          2HZ       LYS  16   8.004   2.580  -2.158
  117    H    ILE  17           H        ILE  17  -0.412   1.668  -2.686
  118    HA   ILE  17           HA       ILE  17   0.016   3.718  -4.677
  119    HB   ILE  17           HB       ILE  17  -2.402   1.922  -4.082
  120   1HG1  ILE  17          1HG1      ILE  17  -0.434   1.828  -6.453
  121   2HG1  ILE  17          2HG1      ILE  17  -0.151   0.909  -4.962
  122   1HG2  ILE  17          1HG2      ILE  17  -3.230   4.011  -5.161
  123   2HG2  ILE  17          2HG2      ILE  17  -1.993   3.861  -6.439
  124   3HG2  ILE  17          3HG2      ILE  17  -3.320   2.673  -6.313
  125   1HD1  ILE  17          1HD1      ILE  17  -2.564   0.510  -6.833
  126   2HD1  ILE  17          2HD1      ILE  17  -1.180  -0.579  -6.586
  127   3HD1  ILE  17          3HD1      ILE  17  -2.336  -0.302  -5.255
  128    H    HIS  18           H        HIS  18  -2.368   3.311  -1.924
  129    HA   HIS  18           HA       HIS  18  -3.701   5.717  -2.469
  130   1HB   HIS  18          1HB       HIS  18  -4.486   3.891  -0.841
  131   2HB   HIS  18          2HB       HIS  18  -3.264   4.492   0.312
  132    HD1  HIS  18           HD1      HIS  18  -5.255   4.906   1.896
  133    HD2  HIS  18           HD2      HIS  18  -5.301   7.241  -1.605
  134    HE1  HIS  18           HE1      HIS  18  -6.917   6.759   2.318
  135    H    GLN  19           H        GLN  19  -0.551   5.168  -0.749
  136    HA   GLN  19           HA       GLN  19  -0.497   7.571   0.682
  137   1HB   GLN  19          1HB       GLN  19   1.847   6.080  -0.638
  138   2HB   GLN  19          2HB       GLN  19   2.047   7.554   0.337
  139   1HG   GLN  19          1HG       GLN  19   0.976   6.431   2.318
  140   2HG   GLN  19          2HG       GLN  19   0.809   4.933   1.377
  141   1HE2  GLN  19          1HE2      GLN  19   3.362   7.379   2.418
  142   2HE2  GLN  19          2HE2      GLN  19   4.602   6.192   2.585
  143    H    GLN  20           H        GLN  20   0.045   7.007  -2.872
  144    HA   GLN  20           HA       GLN  20   1.151   9.416  -3.616
  145   1HB   GLN  20          1HB       GLN  20   0.412   7.739  -5.261
  146   2HB   GLN  20          2HB       GLN  20  -1.300   8.023  -4.872
  147   1HG   GLN  20          1HG       GLN  20   0.617  10.118  -6.082
  148   2HG   GLN  20          2HG       GLN  20  -0.538   9.143  -7.022
  149   1HE2  GLN  20          1HE2      GLN  20  -2.999   9.278  -6.070
  150   2HE2  GLN  20          2HE2      GLN  20  -3.483  10.901  -5.747
  151    H    ASP  21           H        ASP  21  -2.388   8.866  -2.803
  152    HA   ASP  21           HA       ASP  21  -3.023  11.647  -3.144
  153   1HB   ASP  21          1HB       ASP  21  -4.505   9.576  -1.426
  154   2HB   ASP  21          2HB       ASP  21  -5.144  11.143  -1.982
  155    H    PHE  22           H        PHE  22  -2.193   9.632  -0.172
  156    HA   PHE  22           HA       PHE  22  -2.808  11.683   1.661
  157   1HB   PHE  22          1HB       PHE  22  -2.293   9.296   2.327
  158   2HB   PHE  22          2HB       PHE  22  -0.575   9.592   1.976
  159    HD1  PHE  22           HD1      PHE  22   0.801  10.925   3.526
  160    HD2  PHE  22           HD2      PHE  22  -3.445  10.605   4.152
  161    HE1  PHE  22           HE1      PHE  22   1.061  11.855   5.806
  162    HE2  PHE  22           HE2      PHE  22  -3.184  11.579   6.411
  163    HZ   PHE  22           HZ       PHE  22  -0.930  12.209   7.241
  164    H    VAL  23           H        VAL  23   0.300  11.005  -0.113
  165    HA   VAL  23           HA       VAL  23   1.731  13.025   1.407
  166    HB   VAL  23           HB       VAL  23   2.469  11.554  -1.178
  167   1HG1  VAL  23          1HG1      VAL  23   4.152  13.464   0.573
  168   2HG1  VAL  23          2HG1      VAL  23   4.798  12.441  -0.745
  169   3HG1  VAL  23          3HG1      VAL  23   3.644  13.743  -1.120
  170   1HG2  VAL  23          1HG2      VAL  23   4.000  10.262   0.313
  171   2HG2  VAL  23          2HG2      VAL  23   3.463  11.211   1.729
  172   3HG2  VAL  23          3HG2      VAL  23   2.328  10.106   0.908
  173    H    ASN  24           H        ASN  24   0.356  12.820  -1.999
  174    HA   ASN  24           HA       ASN  24   0.924  15.474  -2.726
  175   1HB   ASN  24          1HB       ASN  24  -0.139  13.811  -4.257
  176   2HB   ASN  24          2HB       ASN  24  -1.645  13.872  -3.294
  177   1HD2  ASN  24          1HD2      ASN  24  -2.362  14.360  -5.709
  178   2HD2  ASN  24          2HD2      ASN  24  -2.415  16.034  -6.123
  179    H    TRP  25           H        TRP  25  -1.713  14.165  -0.596
  180    HA   TRP  25           HA       TRP  25  -3.113  16.652  -0.406
  181   1HB   TRP  25          1HB       TRP  25  -4.275  14.598   0.157
  182   2HB   TRP  25          2HB       TRP  25  -3.105  14.191   1.433
  183    HD1  TRP  25           HD1      TRP  25  -6.082  16.528   0.819
  184    HE1  TRP  25           HE1      TRP  25  -6.793  17.508   3.031
  185    HE3  TRP  25           HE3      TRP  25  -2.218  14.798   3.808
  186    HZ2  TRP  25           HZ2      TRP  25  -5.925  17.650   5.632
  187    HZ3  TRP  25           HZ3      TRP  25  -2.181  15.558   6.193
  188    HH2  TRP  25           HH2      TRP  25  -4.013  16.960   7.091
  189    H    LEU  26           H        LEU  26  -0.535  15.158   1.815
  190    HA   LEU  26           HA       LEU  26  -0.834  17.370   3.612
  191   1HB   LEU  26          1HB       LEU  26   1.029  16.644   4.858
  192   2HB   LEU  26          2HB       LEU  26   0.200  15.198   4.265
  193    HG   LEU  26           HG       LEU  26   2.061  15.288   2.331
  194   1HD1  LEU  26          1HD1      LEU  26   4.248  16.204   3.064
  195   2HD1  LEU  26          2HD1      LEU  26   3.081  17.541   3.052
  196   3HD1  LEU  26          3HD1      LEU  26   3.536  16.785   4.593
  197   1HD2  LEU  26          1HD2      LEU  26   2.711  14.399   5.192
  198   2HD2  LEU  26          2HD2      LEU  26   1.856  13.440   3.951
  199   3HD2  LEU  26          3HD2      LEU  26   3.569  13.861   3.717
  200    H    LEU  27           H        LEU  27   1.250  16.819   0.682
  201    HA   LEU  27           HA       LEU  27   2.801  19.208   1.080
  202   1HB   LEU  27          1HB       LEU  27   1.986  17.780  -1.517
  203   2HB   LEU  27          2HB       LEU  27   3.179  19.096  -1.438
  204    HG   LEU  27           HG       LEU  27   3.528  16.393   0.023
  205   1HD1  LEU  27          1HD1      LEU  27   3.492  16.059  -2.454
  206   2HD1  LEU  27          2HD1      LEU  27   4.719  17.345  -2.651
  207   3HD1  LEU  27          3HD1      LEU  27   5.138  15.826  -1.808
  208   1HD2  LEU  27          1HD2      LEU  27   4.893  18.195   1.091
  209   2HD2  LEU  27          2HD2      LEU  27   5.940  17.099   0.173
  210   3HD2  LEU  27          3HD2      LEU  27   5.513  18.692  -0.508
  211    H    ALA  28           H        ALA  28  -0.345  18.538  -0.654
  212    HA   ALA  28           HA       ALA  28  -0.667  21.153  -1.649
  213   1HB   ALA  28          1HB       ALA  28  -2.890  19.278  -0.611
  214   2HB   ALA  28          2HB       ALA  28  -3.124  20.706  -1.658
  215   3HB   ALA  28          3HB       ALA  28  -2.222  19.287  -2.270
  216    H    GLN  29           H        GLN  29  -1.467  19.742   1.641
  217    HA   GLN  29           HA       GLN  29  -2.180  22.520   2.542
  218   1HB   GLN  29          1HB       GLN  29  -2.711  19.817   3.896
  219   2HB   GLN  29          2HB       GLN  29  -3.248  21.435   4.437
  220   1HG   GLN  29          1HG       GLN  29  -4.517  21.672   2.218
  221   2HG   GLN  29          2HG       GLN  29  -4.121  19.965   1.865
  222   1HE2  GLN  29          1HE2      GLN  29  -6.763  20.400   1.847
  223   2HE2  GLN  29          2HE2      GLN  29  -7.515  19.937   3.331
  224    H    LYS  30           H        LYS  30   0.560  22.274   2.046
  225    HA   LYS  30           HA       LYS  30   1.415  22.915   4.742
  226   1HB   LYS  30          1HB       LYS  30   1.703  20.384   4.761
  227   2HB   LYS  30          2HB       LYS  30   2.809  20.531   3.366
  228   1HG   LYS  30          1HG       LYS  30   4.343  21.970   4.777
  229   2HG   LYS  30          2HG       LYS  30   3.201  21.830   6.144
  230   1HD   LYS  30          1HD       LYS  30   3.532  19.313   6.130
  231   2HD   LYS  30          2HD       LYS  30   4.716  19.494   4.805
  232   1HE   LYS  30          1HE       LYS  30   6.154  20.936   6.314
  233   2HE   LYS  30          2HE       LYS  30   4.967  20.730   7.629
  234   1HZ   LYS  30          1HZ       LYS  30   5.396  18.299   7.624
  235   2HZ   LYS  30          2HZ       LYS  30   6.581  18.509   6.330
  Start of MODEL   20
    1   1H    TYR   1          1H        TYR   1   3.639 -18.630  -7.999
    2   2H    TYR   1          2H        TYR   1   3.531 -19.819  -6.726
    3   3H    TYR   1          3H        TYR   1   4.938 -18.815  -6.858
    4    HA   TYR   1           HA       TYR   1   3.639 -16.817  -6.330
    5   1HB   TYR   1          1HB       TYR   1   1.302 -18.814  -6.317
    6   2HB   TYR   1          2HB       TYR   1   1.228 -17.387  -5.275
    7    HD1  TYR   1           HD1      TYR   1   1.212 -15.101  -6.152
    8    HD2  TYR   1           HD2      TYR   1   1.193 -18.477  -8.823
    9    HE1  TYR   1           HE1      TYR   1   0.469 -13.637  -7.982
   10    HE2  TYR   1           HE2      TYR   1   0.508 -16.991 -10.679
   11    HH   TYR   1           HH       TYR   1  -0.098 -13.493 -10.296
   12    H    ALA   2           H        ALA   2   3.192 -16.136  -4.072
   13    HA   ALA   2           HA       ALA   2   4.016 -18.233  -2.054
   14   1HB   ALA   2          1HB       ALA   2   4.299 -15.164  -1.990
   15   2HB   ALA   2          2HB       ALA   2   4.761 -16.291  -0.680
   16   3HB   ALA   2          3HB       ALA   2   5.627 -16.333  -2.245
   17    H    GLU   3           H        GLU   3   1.552 -18.727  -2.730
   18    HA   GLU   3           HA       GLU   3  -0.395 -16.794  -1.838
   19   1HB   GLU   3          1HB       GLU   3  -0.860 -18.513  -3.568
   20   2HB   GLU   3          2HB       GLU   3  -0.762 -19.800  -2.332
   21   1HG   GLU   3          1HG       GLU   3  -2.686 -18.705  -1.088
   22   2HG   GLU   3          2HG       GLU   3  -2.766 -17.443  -2.348
   23    H    GLY   4           H        GLY   4   0.516 -16.260   0.329
   24   1HA   GLY   4          1HA       GLY   4  -0.658 -17.915   2.433
   25   2HA   GLY   4          2HA       GLY   4   1.126 -18.004   2.383
   26    H    THR   5           H        THR   5   2.238 -15.684   2.109
   27    HA   THR   5           HA       THR   5   0.782 -13.712   3.870
   28    HB   THR   5           HB       THR   5   3.768 -13.912   3.178
   29    HG1  THR   5           HG1      THR   5   2.421 -14.934   5.488
   30   1HG2  THR   5          1HG2      THR   5   2.258 -12.332   5.374
   31   2HG2  THR   5          2HG2      THR   5   4.031 -12.499   5.258
   32   3HG2  THR   5          3HG2      THR   5   3.140 -11.624   3.990
   33    H    PHE   6           H        PHE   6  -0.300 -13.971   1.357
   34    HA   PHE   6           HA       PHE   6   1.117 -12.039  -0.399
   35   1HB   PHE   6          1HB       PHE   6  -0.209 -14.330  -1.066
   36   2HB   PHE   6          2HB       PHE   6  -1.579 -13.216  -1.169
   37    HD1  PHE   6           HD1      PHE   6  -1.666 -11.716  -3.162
   38    HD2  PHE   6           HD2      PHE   6   1.964 -13.840  -2.246
   39    HE1  PHE   6           HE1      PHE   6  -0.773 -11.178  -5.410
   40    HE2  PHE   6           HE2      PHE   6   2.852 -13.299  -4.489
   41    HZ   PHE   6           HZ       PHE   6   1.482 -11.973  -6.081
   42    H    ILE   7           H        ILE   7  -2.141 -12.497   1.253
   43    HA   ILE   7           HA       ILE   7  -3.274 -10.109   0.676
   44    HB   ILE   7           HB       ILE   7  -4.340 -11.808   2.123
   45   1HG1  ILE   7          1HG1      ILE   7  -4.306  -9.011   3.436
   46   2HG1  ILE   7          2HG1      ILE   7  -5.238  -9.480   1.991
   47   1HG2  ILE   7          1HG2      ILE   7  -2.687 -10.716   4.490
   48   2HG2  ILE   7          2HG2      ILE   7  -3.837 -12.078   4.507
   49   3HG2  ILE   7          3HG2      ILE   7  -2.302 -12.241   3.643
   50   1HD1  ILE   7          1HD1      ILE   7  -6.735  -9.526   3.927
   51   2HD1  ILE   7          2HD1      ILE   7  -6.470 -11.213   3.406
   52   3HD1  ILE   7          3HD1      ILE   7  -5.634 -10.567   4.854
   53    H    SER   8           H        SER   8  -0.527 -10.530   3.078
   54    HA   SER   8           HA       SER   8  -0.786  -7.855   4.070
   55   1HB   SER   8          1HB       SER   8   0.592  -9.539   5.264
   56   2HB   SER   8          2HB       SER   8   1.749  -9.581   3.897
   57    HG   SER   8           HG       SER   8   2.407  -8.011   5.566
   58    H    ASP   9           H        ASP   9   1.343  -9.325   1.446
   59    HA   ASP   9           HA       ASP   9   2.533  -6.874   0.701
   60   1HB   ASP   9          1HB       ASP   9   1.770  -9.206  -1.173
   61   2HB   ASP   9          2HB       ASP   9   2.952  -7.920  -1.531
   62    H    TYR  10           H        TYR  10  -0.649  -8.361  -0.279
   63    HA   TYR  10           HA       TYR  10  -1.194  -6.476  -2.335
   64   1HB   TYR  10          1HB       TYR  10  -2.482  -8.646  -1.892
   65   2HB   TYR  10          2HB       TYR  10  -3.274  -7.851  -0.516
   66    HD1  TYR  10           HD1      TYR  10  -4.781  -5.842  -0.920
   67    HD2  TYR  10           HD2      TYR  10  -3.052  -8.036  -4.196
   68    HE1  TYR  10           HE1      TYR  10  -6.473  -4.896  -2.459
   69    HE2  TYR  10           HE2      TYR  10  -4.756  -7.121  -5.718
   70    HH   TYR  10           HH       TYR  10  -6.745  -5.810  -5.897
   71    H    SER  11           H        SER  11  -1.970  -6.483   1.245
   72    HA   SER  11           HA       SER  11  -3.453  -4.041   1.148
   73   1HB   SER  11          1HB       SER  11  -3.549  -5.624   3.080
   74   2HB   SER  11          2HB       SER  11  -1.866  -5.221   3.518
   75    HG   SER  11           HG       SER  11  -2.683  -2.992   3.850
   76    H    ILE  12           H        ILE  12   0.097  -4.744   1.705
   77    HA   ILE  12           HA       ILE  12   0.713  -2.008   2.344
   78    HB   ILE  12           HB       ILE  12   2.466  -4.225   1.157
   79   1HG1  ILE  12          1HG1      ILE  12   1.670  -4.642   3.524
   80   2HG1  ILE  12          2HG1      ILE  12   3.431  -4.534   3.348
   81   1HG2  ILE  12          1HG2      ILE  12   4.442  -2.747   1.824
   82   2HG2  ILE  12          2HG2      ILE  12   3.497  -2.147   0.443
   83   3HG2  ILE  12          3HG2      ILE  12   3.282  -1.401   2.046
   84   1HD1  ILE  12          1HD1      ILE  12   3.409  -2.217   4.318
   85   2HD1  ILE  12          2HD1      ILE  12   1.627  -2.290   4.479
   86   3HD1  ILE  12          3HD1      ILE  12   2.658  -3.401   5.409
   87    H    ALA  13           H        ALA  13   0.747  -3.888  -0.796
   88    HA   ALA  13           HA       ALA  13   1.688  -1.732  -2.362
   89   1HB   ALA  13          1HB       ALA  13   0.561  -2.856  -4.301
   90   2HB   ALA  13          2HB       ALA  13   1.440  -4.044  -3.292
   91   3HB   ALA  13          3HB       ALA  13  -0.340  -3.917  -3.177
   92    H    MET  14           H        MET  14  -1.712  -2.614  -1.320
   93    HA   MET  14           HA       MET  14  -2.930  -0.587  -2.890
   94   1HB   MET  14          1HB       MET  14  -4.112  -2.531  -1.653
   95   2HB   MET  14          2HB       MET  14  -4.019  -1.550  -0.168
   96   1HG   MET  14          1HG       MET  14  -5.396  -0.775  -2.827
   97   2HG   MET  14          2HG       MET  14  -6.234  -1.317  -1.348
   98   1HE   MET  14          1HE       MET  14  -5.344   1.803  -3.340
   99   2HE   MET  14          2HE       MET  14  -7.011   1.285  -2.905
  100   3HE   MET  14          3HE       MET  14  -6.359   2.831  -2.278
  101    H    ASP  15           H        ASP  15  -1.760  -0.604   0.587
  102    HA   ASP  15           HA       ASP  15  -2.472   2.059   1.144
  103   1HB   ASP  15          1HB       ASP  15  -1.631   0.515   2.917
  104   2HB   ASP  15          2HB       ASP  15  -0.010   0.517   2.175
  105    H    LYS  16           H        LYS  16   0.518   0.737  -0.519
  106    HA   LYS  16           HA       LYS  16   1.876   3.237  -0.476
  107   1HB   LYS  16          1HB       LYS  16   2.907   0.955  -1.086
  108   2HB   LYS  16          2HB       LYS  16   2.135   1.113  -2.681
  109   1HG   LYS  16          1HG       LYS  16   3.406   3.410  -2.880
  110   2HG   LYS  16          2HG       LYS  16   4.228   2.964  -1.371
  111   1HD   LYS  16          1HD       LYS  16   5.782   2.311  -3.055
  112   2HD   LYS  16          2HD       LYS  16   4.994   0.791  -2.559
  113   1HE   LYS  16          1HE       LYS  16   5.166   0.743  -4.958
  114   2HE   LYS  16          2HE       LYS  16   3.446   1.110  -4.673
  115   1HZ   LYS  16          1HZ       LYS  16   4.594   2.536  -6.444
  116   2HZ   LYS  16          2HZ       LYS  16   3.951   3.527  -5.166
  117    H    ILE  17           H        ILE  17  -0.451   1.723  -2.847
  118    HA   ILE  17           HA       ILE  17  -0.195   3.812  -4.798
  119    HB   ILE  17           HB       ILE  17  -2.519   1.908  -4.173
  120   1HG1  ILE  17          1HG1      ILE  17  -0.592   1.962  -6.585
  121   2HG1  ILE  17          2HG1      ILE  17  -0.254   1.014  -5.125
  122   1HG2  ILE  17          1HG2      ILE  17  -3.471   3.975  -5.187
  123   2HG2  ILE  17          2HG2      ILE  17  -2.267   3.903  -6.506
  124   3HG2  ILE  17          3HG2      ILE  17  -3.535   2.653  -6.359
  125   1HD1  ILE  17          1HD1      ILE  17  -2.400  -0.273  -5.435
  126   2HD1  ILE  17          2HD1      ILE  17  -2.661   0.569  -6.992
  127   3HD1  ILE  17          3HD1      ILE  17  -1.238  -0.475  -6.774
  128    H    HIS  18           H        HIS  18  -2.516   3.322  -2.004
  129    HA   HIS  18           HA       HIS  18  -3.873   5.751  -2.471
  130   1HB   HIS  18          1HB       HIS  18  -4.613   3.875  -0.868
  131   2HB   HIS  18          2HB       HIS  18  -3.368   4.438   0.268
  132    HD1  HIS  18           HD1      HIS  18  -5.398   4.772   1.868
  133    HD2  HIS  18           HD2      HIS  18  -5.374   7.298  -1.499
  134    HE1  HIS  18           HE1      HIS  18  -7.032   6.623   2.377
  135    H    GLN  19           H        GLN  19  -0.800   5.035  -0.698
  136    HA   GLN  19           HA       GLN  19  -0.643   7.350   0.837
  137   1HB   GLN  19          1HB       GLN  19   0.956   5.472   1.066
  138   2HB   GLN  19          2HB       GLN  19   1.672   5.848  -0.530
  139   1HG   GLN  19          1HG       GLN  19   2.492   8.017   0.279
  140   2HG   GLN  19          2HG       GLN  19   1.668   7.792   1.855
  141   1HE2  GLN  19          1HE2      GLN  19   4.126   8.299   2.435
  142   2HE2  GLN  19          2HE2      GLN  19   5.119   6.901   2.624
  143    H    GLN  20           H        GLN  20   0.095   6.899  -2.697
  144    HA   GLN  20           HA       GLN  20   1.346   9.296  -3.260
  145   1HB   GLN  20          1HB       GLN  20   0.733   7.632  -4.989
  146   2HB   GLN  20          2HB       GLN  20  -0.995   8.010  -4.803
  147   1HG   GLN  20          1HG       GLN  20   1.182   9.971  -5.772
  148   2HG   GLN  20          2HG       GLN  20   0.075   9.076  -6.841
  149   1HE2  GLN  20          1HE2      GLN  20  -2.469   9.385  -6.137
  150   2HE2  GLN  20          2HE2      GLN  20  -2.866  11.038  -5.860
  151    H    ASP  21           H        ASP  21  -2.270   8.801  -2.780
  152    HA   ASP  21           HA       ASP  21  -2.890  11.554  -3.117
  153   1HB   ASP  21          1HB       ASP  21  -4.376   9.555  -1.311
  154   2HB   ASP  21          2HB       ASP  21  -4.996  11.108  -1.920
  155    H    PHE  22           H        PHE  22  -2.086   9.592  -0.110
  156    HA   PHE  22           HA       PHE  22  -2.701  11.648   1.702
  157   1HB   PHE  22          1HB       PHE  22  -2.183   9.270   2.384
  158   2HB   PHE  22          2HB       PHE  22  -0.463   9.555   2.030
  159    HD1  PHE  22           HD1      PHE  22   0.913  10.899   3.583
  160    HD2  PHE  22           HD2      PHE  22  -3.339  10.592   4.192
  161    HE1  PHE  22           HE1      PHE  22   1.164  11.833   5.862
  162    HE2  PHE  22           HE2      PHE  22  -3.086  11.575   6.448
  163    HZ   PHE  22           HZ       PHE  22  -0.833  12.199   7.287
  164    H    VAL  23           H        VAL  23   0.446  10.966  -0.024
  165    HA   VAL  23           HA       VAL  23   1.811  13.074   1.428
  166    HB   VAL  23           HB       VAL  23   2.543  11.560  -1.127
  167   1HG1  VAL  23          1HG1      VAL  23   4.841  12.599  -0.838
  168   2HG1  VAL  23          2HG1      VAL  23   3.598  13.797  -1.274
  169   3HG1  VAL  23          3HG1      VAL  23   4.173  13.686   0.417
  170   1HG2  VAL  23          1HG2      VAL  23   4.166  10.407   0.356
  171   2HG2  VAL  23          2HG2      VAL  23   3.744  11.477   1.723
  172   3HG2  VAL  23          3HG2      VAL  23   2.553  10.304   1.114
  173    H    ASN  24           H        ASN  24   0.255  12.828  -1.892
  174    HA   ASN  24           HA       ASN  24   0.795  15.497  -2.633
  175   1HB   ASN  24          1HB       ASN  24  -0.272  13.842  -4.146
  176   2HB   ASN  24          2HB       ASN  24  -1.767  13.878  -3.165
  177   1HD2  ASN  24          1HD2      ASN  24  -2.524  14.383  -5.563
  178   2HD2  ASN  24          2HD2      ASN  24  -2.590  16.058  -5.967
  179    H    TRP  25           H        TRP  25  -1.726  14.156  -0.371
  180    HA   TRP  25           HA       TRP  25  -3.178  16.607  -0.182
  181   1HB   TRP  25          1HB       TRP  25  -4.263  14.571   0.529
  182   2HB   TRP  25          2HB       TRP  25  -3.011  14.218   1.743
  183    HD1  TRP  25           HD1      TRP  25  -6.018  16.556   1.225
  184    HE1  TRP  25           HE1      TRP  25  -6.585  17.623   3.440
  185    HE3  TRP  25           HE3      TRP  25  -2.019  14.857   4.046
  186    HZ2  TRP  25           HZ2      TRP  25  -5.558  17.853   5.974
  187    HZ3  TRP  25           HZ3      TRP  25  -1.827  15.707   6.395
  188    HH2  TRP  25           HH2      TRP  25  -3.574  17.182   7.342
  189    H    LEU  26           H        LEU  26  -0.488  15.245   1.985
  190    HA   LEU  26           HA       LEU  26  -0.692  17.558   3.667
  191   1HB   LEU  26          1HB       LEU  26   1.291  16.908   4.820
  192   2HB   LEU  26          2HB       LEU  26   0.339  15.463   4.439
  193    HG   LEU  26           HG       LEU  26   2.002  15.314   2.329
  194   1HD1  LEU  26          1HD1      LEU  26   3.223  17.510   2.798
  195   2HD1  LEU  26          2HD1      LEU  26   3.774  16.824   4.344
  196   3HD1  LEU  26          3HD1      LEU  26   4.299  16.098   2.801
  197   1HD2  LEU  26          1HD2      LEU  26   3.533  13.855   3.663
  198   2HD2  LEU  26          2HD2      LEU  26   2.845  14.530   5.172
  199   3HD2  LEU  26          3HD2      LEU  26   1.820  13.573   4.061
  200    H    LEU  27           H        LEU  27   1.202  16.902   0.639
  201    HA   LEU  27           HA       LEU  27   2.780  19.311   0.889
  202   1HB   LEU  27          1HB       LEU  27   1.864  17.781  -1.614
  203   2HB   LEU  27          2HB       LEU  27   3.032  19.121  -1.636
  204    HG   LEU  27           HG       LEU  27   3.505  16.484  -0.100
  205   1HD1  LEU  27          1HD1      LEU  27   5.034  15.883  -1.999
  206   2HD1  LEU  27          2HD1      LEU  27   3.358  16.067  -2.573
  207   3HD1  LEU  27          3HD1      LEU  27   4.547  17.364  -2.870
  208   1HD2  LEU  27          1HD2      LEU  27   5.413  18.795  -0.815
  209   2HD2  LEU  27          2HD2      LEU  27   4.885  18.339   0.830
  210   3HD2  LEU  27          3HD2      LEU  27   5.910  17.234  -0.105
  211    H    ALA  28           H        ALA  28  -0.405  18.540  -0.732
  212    HA   ALA  28           HA       ALA  28  -0.815  21.111  -1.801
  213   1HB   ALA  28          1HB       ALA  28  -2.350  19.196  -2.313
  214   2HB   ALA  28          2HB       ALA  28  -2.955  19.215  -0.631
  215   3HB   ALA  28          3HB       ALA  28  -3.265  20.606  -1.706
  216    H    GLN  29           H        GLN  29  -1.483  19.781   1.541
  217    HA   GLN  29           HA       GLN  29  -2.138  22.581   2.423
  218   1HB   GLN  29          1HB       GLN  29  -2.599  19.902   3.852
  219   2HB   GLN  29          2HB       GLN  29  -3.085  21.531   4.405
  220   1HG   GLN  29          1HG       GLN  29  -4.477  21.762   2.254
  221   2HG   GLN  29          2HG       GLN  29  -4.113  20.050   1.894
  222   1HE2  GLN  29          1HE2      GLN  29  -6.733  20.481   1.976
  223   2HE2  GLN  29          2HE2      GLN  29  -7.435  20.040   3.490
  224    H    LYS  30           H        LYS  30   0.419  22.513   1.716
  225    HA   LYS  30           HA       LYS  30   2.512  22.924   2.519
  226   1HB   LYS  30          1HB       LYS  30   1.050  24.446   3.907
  227   2HB   LYS  30          2HB       LYS  30   1.141  23.271   5.243
  228   1HG   LYS  30          1HG       LYS  30   3.673  23.486   5.214
  229   2HG   LYS  30          2HG       LYS  30   3.531  24.691   3.904
  230   1HD   LYS  30          1HD       LYS  30   2.115  26.152   5.439
  231   2HD   LYS  30          2HD       LYS  30   2.383  24.972   6.753
  232   1HE   LYS  30          1HE       LYS  30   4.880  25.383   6.575
  233   2HE   LYS  30          2HE       LYS  30   4.582  26.570   5.277
  234   1HZ   LYS  30          1HZ       LYS  30   3.293  27.966   6.855
  235   2HZ   LYS  30          2HZ       LYS  30   3.610  26.800   8.145