*HEADER    TOXIN                                   09-OCT-08   2K9E              
*TITLE     NMR SOLUTION STRUCTURE FOR SHK-192: A POTENT KV1.3-SPECIFIC           
*TITLE    2 IMMUNOSUPPRESSIVE POLYPEPTIDE                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN SHK;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SHK-192;                                                    
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN STICHODACTYLA HELIANTHUS           
*KEYWDS    PROTEIN, IONIC CHANNEL INHIBITOR, NEMATOCYST, NEUROTOXIN,             
*KEYWDS   2 POTASSIUM CHANNEL INHIBITOR, SECRETED, TOXIN                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.A.GALEA                                                             
*REVDAT   1   20-JAN-09 2K9E    0                                                

!!class	Disulfide bonds												
assign	(resid	12	and	name	sg)	(resid	28	and	name	sg)	2.02	0.1	0.1
assign	(resid	3	and	name	sg)	(resid	35	and	name	sg)	2.02	0.1	0.1
assign	(resid	17	and	name	sg)	(resid	32	and	name	sg)	2.02	0.1	0.1




assign 	(resid  	8	and 	name 	O) 	(resid  	11	and 	name 	HN)   	2.4	0.8	0.2
assign 	(resid  	8	and 	name 	O) 	(resid  	11	and 	name	 N )   3.3	0.8	0.2

assign 	(resid  	9	and 	name 	O) 	(resid  	12	and 	name 	HN)   	2.4	0.8	0.2
assign 	(resid  	9	and 	name 	O) 	(resid  	12	and 	name	 N )   3.3	0.8	0.2

assign 	(resid  	13	and 	name 	O) 	(resid  	17	and 	name 	HN)   	2.4	0.8	0.2
assign 	(resid  	13	and 	name 	O) 	(resid  	17	and 	name	 N )   3.3	0.8	0.2

assign 	(resid  	15	and 	name 	O) 	(resid  	19	and 	name 	HN)   	2.4	0.8	0.2
assign 	(resid  	15	and 	name 	O) 	(resid  	19	and 	name 	N )   	3.3	0.8	0.2

assign 	(resid  	16	and 	name 	O) 	(resid  	20	and 	name 	HN)   	2.4	0.8	0.2
assign	(resid  	16	and 	name 	O) 	(resid  	20	and 	name 	N )   	3.3	0.8	0.2

assign 	(resid  	22	and 	name 	O) 	(resid  	27	and 	name 	HN)   	2.4	0.8	0.2
assign	(resid  	22	and 	name 	O) 	(resid  	27	and 	name 	N )   	3.3	0.8	0.2

assign 	(resid  	30	and 	name 	O) 	(resid  	33	and 	name 	HN)   	2.4	0.8	0.2
assign	(resid  	30	and 	name 	O) 	(resid  	33	and 	name 	N )   	3.3	0.8	0.2



!!Intraresidue NOEs													

assign	(resid	2	and	name	HA)	(resid	2	and	name	HB#)	3.5	1.7	0
assign	(resid	3	and	name	HN)	(resid	3	and	name	HB#)	3.37	1.57	0
assign	(resid	4	and	name	HA)	(resid	4	and	name	HD1#)	4.73	2.93	0
assign	(resid	4	and	name	HA)	(resid	4	and	name	HG21)	4.15	2.35	0
assign	(resid	4	and	name	HA)	(resid	4	and	name	HG1#)	3.97	2.17	0
assign	(resid	4	and	name	HG21)	(resid	4	and	name	HD#)	3.5	1.7	0
assign	(resid	4	and	name	HG22)	(resid	4	and	name	HD#)	3.81	2.01	0
assign	(resid	4	and	name	HN)	(resid	4	and	name	HG2#)	4.63	2.83	0
assign	(resid	4	and	name	HN)	(resid	4	and	name	HG1#)	3.6	1.8	0
assign	(resid	5	and	name	HA)	(resid	5	and	name	HB#)	3.5	1.7	0
assign	(resid	5	and	name	HA)	(resid	5	and	name	HB2)	3.5	1.7	0
assign	(resid	5	and	name	HN)	(resid	5	and	name	HB1)	4.58	2.78	0
assign	(resid	5	and	name	HN)	(resid	5	and	name	HB2)	4.58	2.78	0
assign	(resid	5	and	name	HN)	(resid	5	and	name	HB#)	4.31	2.51	0
assign	(resid	6	and	name	HN)	(resid	6	and	name	HG2#)	3.34	1.54	0
assign	(resid	7	and	name	HA)	(resid	7	and	name	HB)	3.02	1.22	0
assign	(resid	7	and	name	HB)	(resid	7	and	name	HG1#)	2.64	0.84	0
assign	(resid	7	and	name	HD#)	(resid	7	and	name	HG1#)	3.5	1.7	0
assign	(resid	7	and	name	HG1#)	(resid	7	and	name	HD#)	4.61	2.81	0
assign	(resid	7	and	name	HG2#)	(resid	7	and	name	HG1#)	2.69	0.89	0
assign	(resid	7	and	name	HN)	(resid	7	and	name	HB)	4.2	2.4	0
assign	(resid	7	and	name	HN)	(resid	7	and	name	HD#)	5.18	3.38	0
assign	(resid	7	and	name	HN)	(resid	7	and	name	HG2#)	3.27	1.47	0
assign	(resid	7	and	name	HG1#)	(resid	7	and	name	HD#)	3.73	1.93	0
assign	(resid	8	and	name	HA)	(resid	8	and	name	HD2)	5	3.2	0
assign	(resid	8	and	name	HA)	(resid	8	and	name	HD1)	5	3.2	0
assign	(resid	8	and	name	HA)	(resid	8	and	name	HG1)	4.5	2.7	0
assign	(resid	8	and	name	HA)	(resid	8	and	name	HG2)	4.5	2.7	0
assign	(resid	8	and	name	HA)	(resid	8	and	name	HB2)	3.5	1.7	0
assign	(resid	8	and	name	HB#)	(resid	8	and	name	HG1)	3.5	1.7	0
assign	(resid	9	and	name	HA)	(resid	9	and	name	HG#)	3.84	2.04	0
assign	(resid	9	and	name	HB2)	(resid	9	and	name	HG#)	3.5	1.7	0
assign	(resid	9	and	name	HB#)	(resid	9	and	name	HE#)	5.06	3.26	0
assign	(resid	9	and	name	HN)	(resid	9	and	name	HB#)	3.68	1.88	0
assign	(resid	9	and	name	HN)	(resid	9	and	name	HD#)	3.97	2.17	0
assign	(resid	9	and	name	HN)	(resid	9	and	name	HE#)	5.96	4.16	0
assign	(resid	9	and	name	HN)	(resid	9	and	name	HG#)	4.05	2.25	0
assign	(resid	10	and	name	HA)	(resid	10	and	name	HB#)	3.7	1.9	0
assign	(resid	10	and	name	HN)	(resid	10	and	name	HA)	2.9	1.1	0
assign	(resid	11	and	name	HA)	(resid	11	and	name	HD1)	5.69	3.89	0
assign	(resid	11	and	name	HA)	(resid	11	and	name	HD2)	5.69	3.89	0
assign	(resid	11	and	name	HA)	(resid	11	and	name	HD#)	5.41	3.61	0
assign	(resid	11	and	name	HA)	(resid	11	and	name	HG#)	4.19	2.39	0
assign	(resid	11	and	name	HB1)	(resid	11	and	name	HD#)	4.5	2.7	0
assign	(resid	11	and	name	HB1)	(resid	11	and	name	HH1#)	6.5	4.7	0
assign	(resid	11	and	name	HB2)	(resid	11	and	name	HH1#)	6.5	4.7	0
assign	(resid	11	and	name	HD1)	(resid	11	and	name	HH1#)	5	3.2	0
assign	(resid	11	and	name	HD2)	(resid	11	and	name	HH1#)	5	3.2	0
assign	(resid	11	and	name	HD#)	(resid	11	and	name	HH1#)	5.09	3.29	0
assign	(resid	11	and	name	HG#)	(resid	11	and	name	HH1#)	4.5	2.7	0
assign	(resid	11	and	name	HN)	(resid	11	and	name	HB#)	3.73	2.03	0
assign	(resid	11	and	name	HN)	(resid	11	and	name	HD1)	5.91	4.11	0
assign	(resid	11	and	name	HN)	(resid	11	and	name	HD2)	5.91	4.11	0
assign	(resid	11	and	name	HN)	(resid	11	and	name	HD#)	5.46	3.66	0
assign	(resid	11	and	name	HN)	(resid	11	and	name	HG#)	3.74	1.94	0
assign	(resid	12	and	name	HN)	(resid	12	and	name	HB#)	4.1	2.3	0
assign	(resid	13	and	name	HN)	(resid	13	and	name	HB)	3.8	2	0
assign	(resid	13	and	name	HN)	(resid	13	and	name	HG2#)	3.8	2	0
assign	(resid	14	and	name	HN)	(resid	14	and	name	HA)	2.92	1.12	0
assign	(resid	14	and	name	HN)	(resid	14	and	name	HB#)	2.56	0.76	0
assign	(resid	15	and	name	HB#)	(resid	15	and	name	HZ)	5.57	3.77	0
assign	(resid	15	and	name	HN)	(resid	15	and	name	HB1)	4.3	2.5	0
assign	(resid	15	and	name	HN)	(resid	15	and	name	HB2)	4.3	2.5	0
assign	(resid	15	and	name	HN)	(resid	15	and	name	HB#)	3.92	2.12	0
assign	(resid	16	and	name	HA)	(resid	16	and	name	HE2#)	5.08	3.28	0
assign	(resid	16	and	name	HA)	(resid	16	and	name	HG1)	3.95	2.15	0
assign	(resid	16	and	name	HA)	(resid	16	and	name	HG2)	3.95	2.15	0
assign	(resid	16	and	name	HA)	(resid	16	and	name	HG#)	3.63	1.83	0
assign	(resid	16	and	name	HB1)	(resid	16	and	name	HE2#)	5.15	3.35	0
assign	(resid	16	and	name	HB2)	(resid	16	and	name	HE2#)	5.15	3.35	0
assign	(resid	16	and	name	HB#)	(resid	16	and	name	HE2#)	4.68	2.88	0
assign	(resid	16	and	name	HN)	(resid	16	and	name	HB2)	3.39	1.59	0
assign	(resid	16	and	name	HN)	(resid	16	and	name	HB#)	3.09	1.29	0
assign	(resid	16	and	name	HN)	(resid	16	and	name	HG1)	4.47	2.67	0
assign	(resid	16	and	name	HN)	(resid	16	and	name	HG2)	4.47	2.67	0
assign	(resid	16	and	name	HN)	(resid	16	and	name	HG#)	4.23	2.43	0
assign	(resid	17	and	name	HN)	(resid	17	and	name	HB1)	3.94	2.14	0
assign	(resid	17	and	name	HN)	(resid	17	and	name	HB2)	3.94	2.14	0
assign	(resid	17	and	name	HN)	(resid	17	and	name	HB#)	3.74	1.94	0
assign	(resid	18	and	name	HA)	(resid	18	and	name	HD#)	4.48	2.68	0
assign	(resid	18	and	name	HA)	(resid	18	and	name	HE#)	4.78	2.98	0
assign	(resid	18	and	name	HN)	(resid	18	and	name	HA)	3.01	1.21	0
assign	(resid	18	and	name	HN)	(resid	18	and	name	HB1)	3.67	1.87	0
assign	(resid	18	and	name	HN)	(resid	18	and	name	HB2)	3.67	1.87	0
assign	(resid	18	and	name	HN)	(resid	18	and	name	HB#)	3.48	1.68	0
assign	(resid	18	and	name	HN)	(resid	18	and	name	HD#)	5.22	3.42	0
assign	(resid	19	and	name	HA)	(resid	19	and	name	HD#)	4.5	2.7	0
assign	(resid	19	and	name	HB1)	(resid	19	and	name	HD#)	4.5	2.7	0
assign	(resid	19	and	name	HB2)	(resid	19	and	name	HD#)	3.5	1.7	0
assign	(resid	19	and	name	HN)	(resid	19	and	name	HB1)	4.02	2.22	0
assign	(resid	19	and	name	HN)	(resid	19	and	name	HB2)	4.02	2.22	0
assign	(resid	19	and	name	HN)	(resid	19	and	name	HB#)	3.75	1.95	0
assign	(resid	19	and	name	HN)	(resid	19	and	name	HD#)	5.05	3.25	0
assign	(resid	19	and	name	HN)	(resid	19	and	name	HE#)	4.19	2.39	0
assign	(resid	20	and	name	HN)	(resid	20	and	name	HB1)	4.58	2.78	0
assign	(resid	20	and	name	HN)	(resid	20	and	name	HB2)	4.58	2.78	0
assign	(resid	20	and	name	HN)	(resid	20	and	name	HB#)	4.4	2.6	0
assign	(resid	21	and	name	HA)	(resid	21	and	name	HD#)	4.08	2.28	0
assign	(resid	21	and	name	HA)	(resid	21	and	name	HG#)	3.51	1.71	0
assign	(resid	21	and	name	HB#)	(resid	21	and	name	HD#)	2.89	1.09	0
assign	(resid	21	and	name	HN)	(resid	21	and	name	HB#)	3	1.2	0
assign	(resid	21	and	name	HN)	(resid	21	and	name	HD1)	5.04	3.24	0
assign	(resid	21	and	name	HN)	(resid	21	and	name	HD2)	5.5	3.7	0
assign	(resid	21	and	name	HN)	(resid	21	and	name	HG#)	4.91	3.11	0
assign	(resid	22	and	name	HB1)	(resid	22	and	name	HD#)	3.8	2	0
assign	(resid	22	and	name	HB2)	(resid	22	and	name	HD#)	3.8	2	0
assign	(resid	22	and	name	HB#)	(resid	22	and	name	HD#)	3.47	1.67	0
assign	(resid	22	and	name	HN)	(resid	22	and	name	HB1)	4.16	2.46	0
assign	(resid	22	and	name	HN)	(resid	22	and	name	HB2)	4.16	2.46	0
assign	(resid	22	and	name	HN)	(resid	22	and	name	HB#)	4.03	2.23	0
assign	(resid	22	and	name	HN)	(resid	22	and	name	HD#)	4.05	2.05	0
assign	(resid	22	and	name	HN)	(resid	22	and	name	HG#)	4.79	2.99	0
assign	(resid	22	and	name	HN)	(resid	22	and	name	HZ1)	4.1	2.3	0
assign	(resid	22	and	name	HN)	(resid	22	and	name	HA)	2.9	1.1	0
assign	(resid	23	and	name	HA)	(resid	23	and	name	HD#)	3.39	1.59	0
assign	(resid	23	and	name	HA)	(resid	23	and	name	HE#)	6.43	4.63	0
assign	(resid	23	and	name	HN)	(resid	23	and	name	HB1)	3.83	2.03	0
assign	(resid	23	and	name	HN)	(resid	23	and	name	HB2)	3.33	1.53	0
assign	(resid	23	and	name	HN)	(resid	23	and	name	HB#)	3.07	1.27	0
assign	(resid	24	and	name	HA)	(resid	24	and	name	HG1)	4.28	2.48	0
assign	(resid	24	and	name	HA)	(resid	24	and	name	HG2)	4.28	2.48	0
assign	(resid	24	and	name	HB1)	(resid	24	and	name	HD1)	4.5	2.7	0
assign	(resid	24	and	name	HB2)	(resid	24	and	name	HG2)	3.5	1.7	0
assign	(resid	24	and	name	HB#)	(resid	24	and	name	HH2#)	6.5	4.7	0
assign	(resid	24	and	name	HD1)	(resid	24	and	name	HH1#)	4.5	2.7	0
assign	(resid	24	and	name	HG1)	(resid	24	and	name	HH2#)	6.94	5.14	0
assign	(resid	24	and	name	HG2)	(resid	24	and	name	HH2#)	6.94	5.14	0
assign	(resid	24	and	name	HG#)	(resid	24	and	name	HH1#)	4.66	2.86	0
assign	(resid	24	and	name	HG#)	(resid	24	and	name	HH2#)	5.63	3.83	0
assign	(resid	24	and	name	HN)	(resid	24	and	name	HB#)	3.56	1.76	0
assign	(resid	24	and	name	HN)	(resid	24	and	name	HG1)	3.45	1.65	0
assign	(resid	24	and	name	HN)	(resid	24	and	name	HG2)	3.95	2.15	0
assign	(resid	24	and	name	HN)	(resid	24	and	name	HG#)	3.25	1.45	0
assign	(resid	24	and	name	HN)	(resid	24	and	name	HH1#)	5.14	3.34	0
assign	(resid	25	and	name	HB#)	(resid	25	and	name	HD#)	4.5	2.7	0
assign	(resid	25	and	name	HG)	(resid	25	and	name	HD#)	3.5	1.7	0
assign	(resid	25	and	name	HN)	(resid	25	and	name	HB#)	3.99	2.19	0
assign	(resid	25	and	name	HN)	(resid	25	and	name	HG)	3.1	1.4	0
assign	(resid	25	and	name	HN)	(resid	25	and	name	HD2#)	5.19	3.39	0
assign	(resid	26	and	name	HN)	(resid	26	and	name	HB1)	3.84	2.04	0
assign	(resid	26	and	name	HN)	(resid	26	and	name	HB2)	3.84	2.04	0
assign	(resid	26	and	name	HN)	(resid	26	and	name	HB#)	3.65	1.85	0
assign	(resid	27	and	name	HA)	(resid	27	and	name	HB2)	3.5	1.7	0
assign	(resid	27	and	name	HA)	(resid	27	and	name	HD#)	2.89	1.09	0
assign	(resid	27	and	name	HB2)	(resid	27	and	name	HD#)	4.5	2.7	0
assign	(resid	27	and	name	HB1)	(resid	27	and	name	HD#)	4.5	2.7	0
assign	(resid	27	and	name	HD#)	(resid	27	and	name	HZ)	4.5	2.7	0
assign	(resid	27	and	name	HN)	(resid	27	and	name	HB1)	4.19	2.39	0
assign	(resid	27	and	name	HN)	(resid	27	and	name	HB2)	4.19	2.39	0
assign	(resid	27	and	name	HN)	(resid	27	and	name	HD#)	3.46	1.66	0
assign	(resid	28	and	name	HA)	(resid	28	and	name	HB2)	3.5	1.7	0
assign	(resid	28	and	name	HN)	(resid	28	and	name	HB1)	3.77	1.97	0
assign	(resid	28	and	name	HN)	(resid	28	and	name	HB2)	3.77	1.97	0
assign	(resid	28	and	name	HN)	(resid	28	and	name	HB#)	3.43	1.63	0
assign	(resid	29	and	name	HA)	(resid	29	and	name	HH1#)	6.5	4.7	0
assign	(resid	29	and	name	HB1)	(resid	29	and	name	HH1#)	5.5	3.7	0
assign	(resid	29	and	name	HB2)	(resid	29	and	name	HH1#)	5.5	3.7	0
assign	(resid	29	and	name	HG#)	(resid	29	and	name	HD2)	3.5	1.7	0
assign	(resid	29	and	name	HG#)	(resid	29	and	name	HH1#)	4.5	2.7	0
assign	(resid	29	and	name	HN)	(resid	29	and	name	HB#)	3.71	1.91	0
assign	(resid	29	and	name	HN)	(resid	29	and	name	HG#)	4.73	2.93	0
assign	(resid	29	and	name	HN)	(resid	29	and	name	HD#)	5.5	3.7	0
assign	(resid	30	and	name	HA)	(resid	30	and	name	HD#)	4.44	2.64	0
assign	(resid	30	and	name	HA)	(resid	30	and	name	HE#)	5.55	3.75	0
assign	(resid	30	and	name	HA)	(resid	30	and	name	HG#)	3.52	1.72	0
assign	(resid	30	and	name	HG#)	(resid	30	and	name	HD#)	3.47	1.67	0
assign	(resid	30	and	name	HG#)	(resid	30	and	name	HE#)	3.47	1.67	0
assign	(resid	30	and	name	HN)	(resid	30	and	name	HB#)	3.99	2.19	0
assign	(resid	30	and	name	HN)	(resid	30	and	name	HD#)	4.73	2.93	0
assign	(resid	30	and	name	HN)	(resid	30	and	name	HG#)	2.74	0.94	0
assign	(resid	31	and	name	HA)	(resid	31	and	name	HB)	3.64	1.84	0
assign	(resid	31	and	name	HB)	(resid	31	and	name	HG2#)	3.9	2.1	0
assign	(resid	31	and	name	HN)	(resid	31	and	name	HB)	3.46	1.66	0
assign	(resid	31	and	name	HN)	(resid	31	and	name	HG2#)	3.54	1.74	0
assign	(resid	32	and	name	HN)	(resid	32	and	name	HB1)	4.36	2.56	0
assign	(resid	32	and	name	HN)	(resid	32	and	name	HB2)	3.36	1.56	0
assign	(resid	32	and	name	HN)	(resid	32	and	name	HB#)	3.07	1.27	0
assign	(resid	34	and	name	HA)	(resid	34	and	name	HG2#)	3.42	1.62	0
assign	(resid	34	and	name	HN)	(resid	34	and	name	HB)	3.19	1.39	0
assign	(resid	34	and	name	HN)	(resid	34	and	name	HG2#)	4.44	2.64	0
assign	(resid	35	and	name	HA)	(resid	35	and	name	HB#)	3.5	1.7	0
assign	(resid	35	and	name	HA)	(resid	35	and	name	H1)	3.5	1.7	0
assign	(resid	35	and	name	HB1)	(resid	35	and	name	H1)	4.5	2.7	0
assign	(resid	35	and	name	HB2)	(resid	35	and	name	H1)	4.5	2.7	0
assign	(resid	35	and	name	HN)	(resid	35	and	name	HB1)	3.55	1.75	0
assign	(resid	35	and	name	HN)	(resid	35	and	name	HB2)	3.55	1.75	0
assign	(resid	35	and	name	HN)	(resid	35	and	name	HB#)	3.28	1.48	0


!!Sequential NOEs													
assign	(resid	1	and	name	HG1#)	(resid	2	and	name	HA)	7.5	5.7	0
assign	(resid	1	and	name	HB1)	(resid	2	and	name	HA)	4.5	2.7	0
assign	(resid	2	and	name	HB#)	(resid	3	and	name	HN)	4.5	2.7	0
assign	(resid	2	and	name	HA)	(resid	3	and	name	HB)	5.5	3.7	0
assign	(resid	2	and	name	HA)	(resid	3	and	name	HN)	3.3	1.5	0
assign	(resid	2	and	name	HN)	(resid	3	and	name	HN)	4.84	3.04	0
assign	(resid	3	and	name	HA)	(resid	4	and	name	HN)	3.35	1.55	0
assign	(resid	3	and	name	HB#)	(resid	4	and	name	HA)	5.66	3.86	0
assign	(resid	3	and	name	HB#)	(resid	4	and	name	HN)	3.94	2.14	0
assign	(resid	3	and	name	HB#)	(resid	4	and	name	HG1#)	4.6	2.8	0
assign	(resid	3	and	name	HN)	(resid	4	and	name	HN)	4.82	3.02	0
assign	(resid	3	and	name	HN)	(resid	4	and	name	HG1#)	4.77	2.97	0
assign	(resid	4	and	name	HA)	(resid	5	and	name	HB#)	5.27	3.47	0
assign	(resid	4	and	name	HB)	(resid	5	and	name	HA)	5.5	3.7	0
assign	(resid	4	and	name	HB)	(resid	5	and	name	HB#)	5.44	3.64	0
assign	(resid	4	and	name	HB)	(resid	5	and	name	HN)	3.49	1.69	0
assign	(resid	4	and	name	HG1#)	(resid	5	and	name	HA)	6.5	4.7	0
assign	(resid	4	and	name	HG22)	(resid	5	and	name	HN)	4.53	2.73	0
assign	(resid	4	and	name	HN)	(resid	5	and	name	HA)	5.12	3.42	0
assign	(resid	5	and	name	HA)	(resid	6	and	name	HG2#)	4.99	3.19	0
assign	(resid	5	and	name	HA)	(resid	6	and	name	HN)	2.89	1.09	0
assign	(resid	5	and	name	HA)	(resid	6	and	name	HG2#)	5.5	3.7	0
assign	(resid	5	and	name	HB1)	(resid	6	and	name	HN)	4.07	2.27	0
assign	(resid	5	and	name	HB2)	(resid	6	and	name	HN)	4.07	2.27	0
assign	(resid	5	and	name	HB#)	(resid	6	and	name	HN)	3.72	1.92	0
assign	(resid	5	and	name	HN)	(resid	6	and	name	HN)	4.76	2.96	0
assign	(resid	6	and	name	HB)	(resid	7	and	name	HN)	4.72	2.92	0
assign	(resid	6	and	name	HG2#)	(resid	7	and	name	HN)	4.96	3.16	0
assign	(resid	6	and	name	HN)	(resid	7	and	name	HA)	4.83	3.03	0
assign	(resid	6	and	name	HN)	(resid	7	and	name	HB)	5.5	3.7	0
assign	(resid	6	and	name	HN)	(resid	7	and	name	HD#)	6.06	4.26	0
assign	(resid	6	and	name	HN)	(resid	7	and	name	HG2#)	4.09	2.29	0
assign	(resid	6	and	name	HN)	(resid	7	and	name	HN)	2.94	1.14	0
assign	(resid	6	and	name	HN)	(resid	7	and	name	HG1#)	5.83	4.03	0
assign	(resid	7	and	name	HA)	(resid	8	and	name	HA)	4.7	2.9	0
assign	(resid	7	and	name	HA)	(resid	8	and	name	HD2)	2.5	0.7	0
assign	(resid	7	and	name	HA)	(resid	8	and	name	HB#)	5.28	3.48	0
assign	(resid	7	and	name	HA)	(resid	8	and	name	HD#)	3.43	1.63	0
assign	(resid	7	and	name	HA)	(resid	8	and	name	HG1)	4.81	3.01	0
assign	(resid	7	and	name	HA)	(resid	8	and	name	HG2)	4.81	3.01	0
assign	(resid	7	and	name	HA)	(resid	8	and	name	HG#)	4.66	2.96	0
assign	(resid	7	and	name	HB)	(resid	8	and	name	HG2)	6.5	4.7	0
assign	(resid	7	and	name	HD#)	(resid	8	and	name	HD2)	6.2	4.4	0
assign	(resid	7	and	name	HD#)	(resid	8	and	name	HD#)	4.85	3.05	0
assign	(resid	7	and	name	HG1#)	(resid	8	and	name	HD#)	5.34	3.54	0
assign	(resid	8	and	name	HA)	(resid	9	and	name	HN)	3.5	1.7	0
assign	(resid	8	and	name	HB#)	(resid	9	and	name	HN)	5	3.2	0
assign	(resid	8	and	name	HD#)	(resid	9	and	name	HB#)	6.53	4.73	0
assign	(resid	9	and	name	HB#)	(resid	10	and	name	HN)	5.15	3.35	0
assign	(resid	9	and	name	HN)	(resid	10	and	name	HN)	4.15	2.35	0
assign	(resid	10	and	name	HB#)	(resid	11	and	name	HN)	5	3.2	0
assign	(resid	10	and	name	HN)	(resid	11	and	name	HN)	3.12	1.32	0
assign	(resid	11	and	name	HB1)	(resid	12	and	name	HN)	5.22	3.42	0
assign	(resid	11	and	name	HB2)	(resid	12	and	name	HN)	5.22	3.42	0
assign	(resid	11	and	name	HB#)	(resid	12	and	name	HN)	5.02	3.22	0
assign	(resid	11	and	name	HG#)	(resid	12	and	name	HN)	5	3.2	0
assign	(resid	11	and	name	HN)	(resid	12	and	name	HA)	4.97	3.17	0
assign	(resid	11	and	name	HN)	(resid	12	and	name	HB#)	5.98	4.18	0
assign	(resid	11	and	name	HN)	(resid	12	and	name	HN)	3.47	1.67	0
assign	(resid	12	and	name	HA)	(resid	13	and	name	HN)	2.81	1.01	0
assign	(resid	12	and	name	HB#)	(resid	13	and	name	HN)	5.02	3.22	0
assign	(resid	12	and	name	HN)	(resid	13	and	name	HG2#)	4.3	2.5	0
assign	(resid	12	and	name	HN)	(resid	13	and	name	HN)	4.23	2.43	0
assign	(resid	13	and	name	HA)	(resid	14	and	name	HB#)	5.5	3.7	0
assign	(resid	13	and	name	HA)	(resid	14	and	name	HN)	3.46	1.66	0
assign	(resid	13	and	name	HB)	(resid	14	and	name	HN)	3.18	1.38	0
assign	(resid	13	and	name	HG2#)	(resid	14	and	name	HA)	7.5	5.7	0
assign	(resid	13	and	name	HN)	(resid	14	and	name	HN)	5.32	3.52	0
assign	(resid	14	and	name	HA)	(resid	15	and	name	HN)	3.7	1.7	0
assign	(resid	14	and	name	HB#)	(resid	15	and	name	HB#)	5.47	3.67	0
assign	(resid	14	and	name	HB#)	(resid	15	and	name	HN)	4.04	2.24	0
assign	(resid	14	and	name	HN)	(resid	15	and	name	HA)	5.5	3.7	0
assign	(resid	14	and	name	HN)	(resid	15	and	name	HB#)	4.32	2.52	0
assign	(resid	14	and	name	HN)	(resid	15	and	name	HN)	3.12	1.32	0
assign	(resid	15	and	name	HB1)	(resid	16	and	name	HN)	4.43	2.63	0
assign	(resid	15	and	name	HB2)	(resid	16	and	name	HN)	4.43	2.63	0
assign	(resid	15	and	name	HB#)	(resid	16	and	name	HN)	4.15	2.45	0
assign	(resid	15	and	name	HD#)	(resid	16	and	name	HB#)	6.38	4.58	0
assign	(resid	15	and	name	HD#)	(resid	16	and	name	HG#)	4.97	3.17	0
assign	(resid	15	and	name	HD#)	(resid	16	and	name	HE2#)	5.39	3.59	0
assign	(resid	15	and	name	HE#)	(resid	16	and	name	HB#)	5.41	3.61	0
assign	(resid	15	and	name	HE#)	(resid	16	and	name	HG#)	4.27	2.47	0
assign	(resid	15	and	name	HE#)	(resid	16	and	name	HE2#)	6.06	4.26	0
assign	(resid	15	and	name	HN)	(resid	16	and	name	HN)	2.77	0.97	0
assign	(resid	15	and	name	HZ)	(resid	16	and	name	HA)	4.96	3.16	0
assign	(resid	15	and	name	HZ)	(resid	16	and	name	HG#)	5.36	3.56	0
assign	(resid	16	and	name	HB#)	(resid	17	and	name	HN)	4.05	2.25	0
assign	(resid	16	and	name	HG1)	(resid	17	and	name	HN)	5.21	3.41	0
assign	(resid	16	and	name	HG2)	(resid	17	and	name	HN)	5.21	3.41	0
assign	(resid	16	and	name	HG#)	(resid	17	and	name	HN)	5.05	3.25	0
assign	(resid	17	and	name	HB#)	(resid	18	and	name	HG#)	5.88	4.08	0
assign	(resid	17	and	name	HN)	(resid	18	and	name	HN)	2.99	1.19	0
assign	(resid	18	and	name	HB1)	(resid	19	and	name	HE#)	4.75	2.95	0
assign	(resid	18	and	name	HB1)	(resid	19	and	name	HN)	4.02	2.22	0
assign	(resid	18	and	name	HB2)	(resid	19	and	name	HE#)	4.75	2.95	0
assign	(resid	18	and	name	HB2)	(resid	19	and	name	HN)	4.02	2.22	0
assign	(resid	18	and	name	HB#)	(resid	19	and	name	HE#)	4.51	2.71	0
assign	(resid	18	and	name	HB#)	(resid	19	and	name	HN)	3.81	2.01	0
assign	(resid	18	and	name	HD#)	(resid	19	and	name	HD#)	4.91	3.11	0
assign	(resid	18	and	name	HD#)	(resid	19	and	name	HE#)	4.5	2.7	0
assign	(resid	18	and	name	HG#)	(resid	19	and	name	HB#)	5.83	4.03	0
assign	(resid	18	and	name	HG#)	(resid	19	and	name	HD#)	4.96	3.16	0
assign	(resid	18	and	name	HN)	(resid	19	and	name	HA)	4.66	2.86	0
assign	(resid	18	and	name	HN)	(resid	19	and	name	HE#)	5.04	3.24	0
assign	(resid	18	and	name	HN)	(resid	19	and	name	HN)	3.32	1.52	0
assign	(resid	19	and	name	HB1)	(resid	20	and	name	HN)	4.25	2.45	0
assign	(resid	19	and	name	HB2)	(resid	20	and	name	HN)	4.25	2.45	0
assign	(resid	19	and	name	HB#)	(resid	20	and	name	HN)	4.06	2.26	0
assign	(resid	19	and	name	HN)	(resid	20	and	name	HN)	3.21	1.41	0
assign	(resid	20	and	name	HA)	(resid	21	and	name	HN)	2.66	0.86	0
assign	(resid	20	and	name	HN)	(resid	21	and	name	HN)	4.46	2.66	0
assign	(resid	21	and	name	HB#)	(resid	22	and	name	HN)	4.34	2.54	0
assign	(resid	21	and	name	HD#)	(resid	22	and	name	HN)	5.07	3.27	0
assign	(resid	21	and	name	HG#)	(resid	22	and	name	HN)	5.22	3.42	0
assign	(resid	21	and	name	HN)	(resid	22	and	name	HN)	3.42	1.62	0
assign	(resid	22	and	name	HB#)	(resid	23	and	name	HD#)	5.77	3.97	0
assign	(resid	22	and	name	HB#)	(resid	23	and	name	HE#)	6.38	4.58	0
assign	(resid	22	and	name	HB#)	(resid	23	and	name	HN)	4.19	1.89	0
assign	(resid	22	and	name	HD#)	(resid	23	and	name	HD#)	4.1	2.5	0
assign	(resid	22	and	name	HD#)	(resid	23	and	name	HE#)	5.5	3.7	0
assign	(resid	22	and	name	HD#)	(resid	23	and	name	HN)	4.39	2.59	0
assign	(resid	22	and	name	HN)	(resid	23	and	name	HB2)	5.23	3.43	0
assign	(resid	22	and	name	HN)	(resid	23	and	name	HB#)	4.87	3.07	0
assign	(resid	22	and	name	HN)	(resid	23	and	name	HN)	3.17	1.37	0
assign	(resid	23	and	name	HB1)	(resid	24	and	name	HN)	4.02	2.22	0
assign	(resid	23	and	name	HB2)	(resid	24	and	name	HN)	4.02	2.22	0
assign	(resid	23	and	name	HB#)	(resid	24	and	name	HN)	3.76	1.96	0
assign	(resid	23	and	name	HN)	(resid	24	and	name	HN)	3.08	1.28	0
assign	(resid	24	and	name	HA)	(resid	25	and	name	HD2#)	6.26	4.46	0
assign	(resid	24	and	name	HH1#)	(resid	25	and	name	HD2#)	5.7	3.9	0
assign	(resid	24	and	name	HN)	(resid	25	and	name	HA)	5.5	3.7	0
assign	(resid	24	and	name	HN)	(resid	25	and	name	HN)	3.42	1.62	0
assign	(resid	24	and	name	HN)	(resid	25	and	name	HD2#)	6.1	4.3	0
assign	(resid	25	and	name	HD2#)	(resid	26	and	name	HN)	6.27	4.47	0
assign	(resid	25	and	name	HN)	(resid	26	and	name	HN)	3.03	1.03	0
assign	(resid	26	and	name	HA)	(resid	27	and	name	HD#)	5.11	3.31	0
assign	(resid	26	and	name	HB1)	(resid	27	and	name	HD#)	4.28	2.48	0
assign	(resid	26	and	name	HB1)	(resid	27	and	name	HE#)	4.43	2.63	0
assign	(resid	26	and	name	HB1)	(resid	27	and	name	HN)	3.25	1.45	0
assign	(resid	26	and	name	HB2)	(resid	27	and	name	HD#)	4.28	2.48	0
assign	(resid	26	and	name	HB2)	(resid	27	and	name	HE#)	4.43	2.63	0
assign	(resid	26	and	name	HB2)	(resid	27	and	name	HN)	3.25	1.45	0
assign	(resid	26	and	name	HB#)	(resid	27	and	name	HD#)	4.1	2.3	0
assign	(resid	26	and	name	HB#)	(resid	27	and	name	HE#)	4.2	2.4	0
assign	(resid	26	and	name	HN)	(resid	27	and	name	HA)	4.63	2.83	0
assign	(resid	26	and	name	HN)	(resid	27	and	name	HN)	2.85	1.05	0
assign	(resid	27	and	name	HB#)	(resid	28	and	name	HA)	6.12	4.32	0
assign	(resid	27	and	name	HB#)	(resid	28	and	name	HN)	4.54	2.74	0
assign	(resid	27	and	name	HD#)	(resid	28	and	name	HN)	4.66	2.86	0
assign	(resid	27	and	name	HN)	(resid	28	and	name	HA)	4.97	3.17	0
assign	(resid	27	and	name	HN)	(resid	28	and	name	HN)	3.31	1.51	0
assign	(resid	28	and	name	HA)	(resid	29	and	name	HN)	3.14	1.34	0
assign	(resid	28	and	name	HA)	(resid	29	and	name	HG#)	6.5	4.7	0
assign	(resid	28	and	name	HA)	(resid	29	and	name	HB#)	5.56	3.76	0
assign	(resid	28	and	name	HB1)	(resid	29	and	name	HG#)	6.5	4.7	0
assign	(resid	28	and	name	HB1)	(resid	29	and	name	HN)	5.19	3.39	0
assign	(resid	28	and	name	HB2)	(resid	29	and	name	HN)	5.19	3.49	0
assign	(resid	28	and	name	HB2)	(resid	29	and	name	HB2)	7.5	5.7	0
assign	(resid	28	and	name	HB#)	(resid	29	and	name	HN)	4.82	3.02	0
assign	(resid	28	and	name	HN)	(resid	29	and	name	HG#)	5.5	3.7	0
assign	(resid	28	and	name	HN)	(resid	29	and	name	HB#)	5.38	3.58	0
assign	(resid	28	and	name	HN)	(resid	29	and	name	HN)	4.62	2.82	0
assign	(resid	29	and	name	HN)	(resid	30	and	name	HN)	3.21	1.41	0
assign	(resid	30	and	name	HA)	(resid	31	and	name	HN)	4	2.2	0
assign	(resid	30	and	name	HB#)	(resid	31	and	name	HN)	3.13	1.33	0
assign	(resid	30	and	name	HN)	(resid	31	and	name	HB)	5.51	3.71	0
assign	(resid	30	and	name	HN)	(resid	31	and	name	HN)	3.06	1.26	0
assign	(resid	31	and	name	HA)	(resid	32	and	name	HB#)	6.33	4.53	0
assign	(resid	31	and	name	HB)	(resid	32	and	name	HB#)	4.74	2.94	0
assign	(resid	31	and	name	HB)	(resid	32	and	name	HN)	3.34	1.54	0
assign	(resid	31	and	name	HN)	(resid	32	and	name	HN)	3.28	1.48	0
assign	(resid	32	and	name	HA)	(resid	33	and	name	HN)	3.58	1.78	0
assign	(resid	32	and	name	HB#)	(resid	33	and	name	HN)	4.04	2.24	0
assign	(resid	32	and	name	HN)	(resid	33	and	name	HN)	3.14	1.34	0
assign	(resid	33	and	name	HN)	(resid	34	and	name	HG2#)	4.65	2.85	0
assign	(resid	33	and	name	HN)	(resid	34	and	name	HN)	3.16	1.36	0
assign	(resid	34	and	name	HA)	(resid	35	and	name	HB#)	5.62	3.82	0
assign	(resid	34	and	name	HA)	(resid	35	and	name	HN)	4.36	2.46	0
assign	(resid	34	and	name	HB)	(resid	35	and	name	HN)	4.54	2.74	0
assign	(resid	34	and	name	HG2#)	(resid	35	and	name	HA)	7.5	5.7	0
assign	(resid	34	and	name	HG2#)	(resid	35	and	name	HN)	4.26	2.46	0
assign	(resid	34	and	name	HN)	(resid	35	and	name	HN)	2.93	1.13	0
assign	(resid	34	and	name	HN)	(resid	35	and	name	HB2)	5.5	3.7	0


!!Short Range NOEs (1-5 residues)													
assign	(resid	2	and	name	HA)	(resid	4	and	name	HG1#)	4.46	2.66	0
assign	(resid	2	and	name	HN)	(resid	4	and	name	HG1#)	4.64	2.84	0
assign	(resid	4	and	name	HA)	(resid	7	and	name	HG1)	4.5	2.7	0
assign	(resid	4	and	name	HA)	(resid	6	and	name	HG2#)	7.5	5.7	0
assign	(resid	4	and	name	HD#)	(resid	6	and	name	HG2#)	7	5.2	0
assign	(resid	5	and	name	HA)	(resid	7	and	name	HB)	7.5	5.7	0
assign	(resid	5	and	name	HA)	(resid	7	and	name	HD#)	6.5	4.7	0
assign	(resid	5	and	name	HA)	(resid	7	and	name	HN)	3.96	2.16	0
assign	(resid	5	and	name	HB1)	(resid	7	and	name	HN)	4.96	3.16	0
assign	(resid	5	and	name	HB2)	(resid	7	and	name	HN)	3.96	2.16	0
assign	(resid	5	and	name	HB#)	(resid	7	and	name	HB)	5.77	3.97	0
assign	(resid	5	and	name	HB#)	(resid	7	and	name	HN)	3.64	1.84	0
assign	(resid	7	and	name	HD#)	(resid	11	and	name	HB1)	3.87	2.07	0
assign	(resid	7	and	name	HD#)	(resid	11	and	name	HB2)	3.87	2.07	0
assign	(resid	7	and	name	HD#)	(resid	11	and	name	HB#)	3.61	1.51	0
assign	(resid	7	and	name	HD#)	(resid	11	and	name	HG#)	4.49	2.69	0
assign	(resid	7	and	name	HD#)	(resid	11	and	name	HN)	4.31	2.51	0
assign	(resid	7	and	name	HG2#)	(resid	11	and	name	HB#)	6.07	4.27	0
assign	(resid	7	and	name	HG2#)	(resid	11	and	name	HN)	6.5	4.7	0
assign	(resid	7	and	name	HN)	(resid	9	and	name	HN)	7.47	5.67	0
assign	(resid	8	and	name	HA)	(resid	11	and	name	HN)	5.3	3.5	0
assign	(resid	8	and	name	HA)	(resid	10	and	name	HN)	3.88	2.08	0
assign	(resid	8	and	name	HB#)	(resid	10	and	name	HN)	4.69	2.89	0
assign	(resid	8	and	name	HB#)	(resid	11	and	name	HN)	5.48	3.68	0
assign	(resid	8	and	name	HD#)	(resid	11	and	name	HN)	6.5	4.7	0
assign	(resid	8	and	name	HD#)	(resid	11	and	name	HD#)	6.31	4.51	0
assign	(resid	8	and	name	HG#)	(resid	11	and	name	HD#)	6.45	4.65	0
assign	(resid	8	and	name	HG#)	(resid	11	and	name	HN)	6.38	4.58	0
assign	(resid	9	and	name	HA)	(resid	12	and	name	HN)	3.5	1.7	0
assign	(resid	9	and	name	HN)	(resid	11	and	name	HN)	4.62	2.82	0
assign	(resid	10	and	name	HA)	(resid	12	and	name	HN)	4.2	2.4	0
assign	(resid	10	and	name	HN)	(resid	12	and	name	HN)	4.59	2.79	0
assign	(resid	12	and	name	HA)	(resid	14	and	name	HN)	6.5	3.7	0
assign	(resid	12	and	name	HA)	(resid	16	and	name	HN)	4.88	3.08	0
assign	(resid	12	and	name	HN)	(resid	16	and	name	HB#)	5.69	3.89	0
assign	(resid	13	and	name	HA)	(resid	15	and	name	HN)	3.75	1.95	0
assign	(resid	13	and	name	HA)	(resid	16	and	name	HN)	4.72	2.92	0
assign	(resid	13	and	name	HB)	(resid	16	and	name	HN)	4.2	2	0
assign	(resid	13	and	name	HG2#)	(resid	15	and	name	HE#)	5.84	4.04	0
assign	(resid	13	and	name	HG2#)	(resid	15	and	name	HN)	3.98	2.18	0
assign	(resid	13	and	name	HG2#)	(resid	16	and	name	HN)	3.81	2.01	0
assign	(resid	13	and	name	HG2#)	(resid	16	and	name	HE2#)	6.37	4.57	0
assign	(resid	13	and	name	HN)	(resid	16	and	name	HG#)	3.8	2	0
assign	(resid	13	and	name	HN)	(resid	16	and	name	HB1)	3.73	1.93	0
assign	(resid	13	and	name	HN)	(resid	16	and	name	HB2)	3.73	1.93	0
assign	(resid	13	and	name	HN)	(resid	16	and	name	HB#)	3.56	1.76	0
assign	(resid	13	and	name	HN)	(resid	16	and	name	HN)	3.99	2.19	0
assign	(resid	13	and	name	HN)	(resid	17	and	name	HN)	4.37	2.57	0
assign	(resid	14	and	name	HA)	(resid	17	and	name	HN)	4.72	2.92	0
assign	(resid	14	and	name	HN)	(resid	16	and	name	HN)	4.52	2.72	0
assign	(resid	15	and	name	HA)	(resid	18	and	name	HN)	4.91	3.11	0
assign	(resid	15	and	name	HA)	(resid	18	and	name	HB2)	5	3.3	0
assign	(resid	15	and	name	HA)	(resid	19	and	name	HD1)	3.24	1.44	0
assign	(resid	15	and	name	HB1)	(resid	19	and	name	HE1)	6.29	4.49	0
assign	(resid	15	and	name	HB2)	(resid	19	and	name	HE1)	4.79	2.99	0
assign	(resid	15	and	name	HB#)	(resid	19	and	name	HE1)	5.06	3.26	0
assign	(resid	15	and	name	HD#)	(resid	19	and	name	HE1)	5.5	3.7	0
assign	(resid	15	and	name	HD#)	(resid	19	and	name	HB#)	5.42	3.62	0
assign	(resid	15	and	name	HD#)	(resid	19	and	name	HD2)	3.95	2.15	0
assign	(resid	15	and	name	HE#)	(resid	19	and	name	HE1)	7.5	5.7	0
assign	(resid	15	and	name	HE#)	(resid	19	and	name	HN)	6.14	4.34	0
assign	(resid	15	and	name	HZ)	(resid	19	and	name	HB2)	4.62	2.82	0
assign	(resid	16	and	name	HA)	(resid	19	and	name	HN)	4.76	2.96	0
assign	(resid	16	and	name	HA)	(resid	20	and	name	HB#)	5.9	4.1	0
assign	(resid	16	and	name	HE2#)	(resid	19	and	name	HB1)	6.05	4.25	0
assign	(resid	16	and	name	HE2#)	(resid	19	and	name	HB2)	6.05	4.25	0
assign	(resid	16	and	name	HE2#)	(resid	20	and	name	HB1)	6.86	5.06	0
assign	(resid	16	and	name	HE2#)	(resid	20	and	name	HB2)	6.86	5.06	0
assign	(resid	16	and	name	HE2#)	(resid	19	and	name	HB#)	4.97	3.17	0
assign	(resid	16	and	name	HE2#)	(resid	20	and	name	HB#)	5.8	4	0
assign	(resid	16	and	name	HG#)	(resid	18	and	name	HN)	5.64	3.84	0
assign	(resid	16	and	name	HN)	(resid	20	and	name	HN)	6	4.2	0
assign	(resid	17	and	name	HN)	(resid	19	and	name	HD1)	5.32	3.52	0
assign	(resid	18	and	name	HN)	(resid	20	and	name	HN)	4.94	3.14	0
assign	(resid	20	and	name	HA)	(resid	22	and	name	HN)	3.84	2.04	0
assign	(resid	20	and	name	HB1)	(resid	23	and	name	HB1)	7.26	5.46	0
assign	(resid	20	and	name	HB1)	(resid	23	and	name	HB2)	7.26	5.46	0
assign	(resid	20	and	name	HB2)	(resid	23	and	name	HB1)	6.26	4.46	0
assign	(resid	20	and	name	HB2)	(resid	23	and	name	HB2)	6.26	4.46	0
assign	(resid	20	and	name	HB#)	(resid	23	and	name	HE#)	6.5	4.7	0
assign	(resid	20	and	name	HB#)	(resid	22	and	name	HN)	5.41	3.61	0
assign	(resid	20	and	name	HB#)	(resid	23	and	name	HB#)	5.66	3.86	0
assign	(resid	21	and	name	HA)	(resid	23	and	name	HB#)	5.71	3.91	0
assign	(resid	21	and	name	HA)	(resid	23	and	name	HN)	3.39	1.59	0
assign	(resid	21	and	name	HA)	(resid	24	and	name	HB#)	4.88	3.08	0
assign	(resid	21	and	name	HA)	(resid	24	and	name	HH2#)	4.26	2.46	0
assign	(resid	21	and	name	HA)	(resid	24	and	name	HN)	3.86	1.06	0
assign	(resid	21	and	name	HA)	(resid	24	and	name	HH1#)	6.3	4.5	0
assign	(resid	21	and	name	HB#)	(resid	23	and	name	HN)	5.41	3.61	0
assign	(resid	21	and	name	HD#)	(resid	24	and	name	HB#)	5.48	3.68	0
assign	(resid	21	and	name	HG#)	(resid	24	and	name	HH1#)	5.5	3.7	0
assign	(resid	21	and	name	HG#)	(resid	24	and	name	HN)	6.02	4.22	0
assign	(resid	21	and	name	HG#)	(resid	25	and	name	HN)	6.18	4.28	0
assign	(resid	21	and	name	HN)	(resid	23	and	name	HN)	5.03	3.23	0
assign	(resid	22	and	name	HA)	(resid	25	and	name	HD2#)	6.28	4.48	0
assign	(resid	22	and	name	HA)	(resid	26	and	name	HB#)	4.5	2.7	0
assign	(resid	22	and	name	HD#)	(resid	26	and	name	HB#)	4.7	3.9	0
assign	(resid	23	and	name	HA)	(resid	27	and	name	HA)	6	5.2	0
assign	(resid	23	and	name	HA)	(resid	27	and	name	HB#)	4.51	2.71	0
assign	(resid	23	and	name	HA)	(resid	27	and	name	HD#)	3.33	1.53	0
assign	(resid	23	and	name	HA)	(resid	27	and	name	HE#)	4.89	3.09	0
assign	(resid	23	and	name	HB#)	(resid	27	and	name	HD#)	6	4.2	0
assign	(resid	23	and	name	HB#)	(resid	27	and	name	HN)	5.57	3.77	0
assign	(resid	23	and	name	HD#)	(resid	27	and	name	HD#)	3.72	1.92	0
assign	(resid	23	and	name	HE#)	(resid	27	and	name	HB#)	7.11	5.31	0
assign	(resid	23	and	name	HE#)	(resid	27	and	name	HD#)	3.9	2.3	0
assign	(resid	23	and	name	HE#)	(resid	27	and	name	HE#)	4.06	2.26	0
assign	(resid	24	and	name	HA)	(resid	28	and	name	HB1)	5.2	3.4	0
assign	(resid	24	and	name	HA)	(resid	28	and	name	HB2)	5.2	3.4	0
assign	(resid	24	and	name	HA)	(resid	28	and	name	HB#)	4.74	2.94	0
assign	(resid	24	and	name	HB#)	(resid	28	and	name	HB#)	6.59	4.79	0
assign	(resid	24	and	name	HN)	(resid	27	and	name	HN)	5.44	3.64	0
assign	(resid	25	and	name	HB#)	(resid	27	and	name	HN)	5.93	4.13	0
assign	(resid	25	and	name	HG)	(resid	27	and	name	HD#)	7.5	5.7	0
assign	(resid	25	and	name	HN)	(resid	27	and	name	HN)	4.11	2.31	0
assign	(resid	26	and	name	HB#)	(resid	29	and	name	HD#)	5.62	3.82	0
assign	(resid	26	and	name	HN)	(resid	30	and	name	HN)	7	5.2	0
assign	(resid	26	and	name	HN)	(resid	28	and	name	HA)	5.39	3.59	0
assign	(resid	26	and	name	HN)	(resid	28	and	name	HN)	4.08	2.28	0
assign	(resid	26	and	name	HN)	(resid	29	and	name	HN)	5.14	3.34	0
assign	(resid	27	and	name	HN)	(resid	29	and	name	HG#)	5.5	3.7	0
assign	(resid	27	and	name	HB1)	(resid	29	and	name	HG#)	6.5	4.7	0
assign	(resid	27	and	name	HA)	(resid	29	and	name	HG#)	5.5	3.7	0
assign	(resid	27	and	name	HN)	(resid	29	and	name	HN)	4.8	3.2	0
assign	(resid	28	and	name	HA)	(resid	30	and	name	HN)	3.56	1.76	0
assign	(resid	28	and	name	HA)	(resid	31	and	name	HB)	5.72	3.92	0
assign	(resid	28	and	name	HA)	(resid	31	and	name	HN)	4.28	2.48	0
assign	(resid	28	and	name	HA)	(resid	32	and	name	HN)	4.28	2.58	0
assign	(resid	28	and	name	HB1)	(resid	31	and	name	HN)	5.29	3.49	0
assign	(resid	28	and	name	HB2)	(resid	31	and	name	HN)	5.59	3.49	0
assign	(resid	28	and	name	HB#)	(resid	30	and	name	HZ2)	4.93	3.13	0
assign	(resid	28	and	name	HB#)	(resid	31	and	name	HB)	5.42	3.62	0
assign	(resid	28	and	name	HB#)	(resid	31	and	name	HN)	4.82	3.02	0
assign	(resid	28	and	name	HB#)	(resid	32	and	name	HN)	4.88	3.08	0
assign	(resid	29	and	name	HB#)	(resid	31	and	name	HN)	5.55	3.75	0
assign	(resid	29	and	name	HG#)	(resid	31	and	name	HN)	6.5	4.7	0
assign	(resid	29	and	name	HN)	(resid	31	and	name	HN)	4.72	2.92	0
assign	(resid	29	and	name	HN)	(resid	31	and	name	HA)	7.5	5.7	0
assign	(resid	29	and	name	HN)	(resid	32	and	name	HB2)	7.5	5.7	0
assign	(resid	30	and	name	HA)	(resid	32	and	name	HN)	5.65	3.75	0
assign	(resid	30	and	name	HB#)	(resid	34	and	name	HN)	7.5	5.7	0
assign	(resid	30	and	name	HD#)	(resid	34	and	name	HN)	7.5	5.7	0
assign	(resid	30	and	name	HG#)	(resid	34	and	name	HN)	6.3	4.5	0
assign	(resid	30	and	name	HN)	(resid	32	and	name	HN)	4.2	2.4	0
assign	(resid	30	and	name	HN)	(resid	34	and	name	HN)	4.2	2.4	0
assign	(resid	31	and	name	HA)	(resid	33	and	name	HN)	4.16	2.36	0
assign	(resid	31	and	name	HN)	(resid	33	and	name	HN)	4.62	2.82	0
assign	(resid	31	and	name	HN)	(resid	34	and	name	HN)	4.8	3	0
assign	(resid	32	and	name	HA)	(resid	34	and	name	HN)	4.62	2.82	0
assign	(resid	32	and	name	HB1)	(resid	34	and	name	HG2#)	5.25	3.45	0
assign	(resid	32	and	name	HB1)	(resid	34	and	name	HN)	4.27	2.47	0
assign	(resid	32	and	name	HB2)	(resid	34	and	name	HG2#)	5.25	3.45	0
assign	(resid	32	and	name	HB2)	(resid	34	and	name	HN)	4.27	2.47	0
assign	(resid	32	and	name	HB#)	(resid	34	and	name	HN)	5.12	3.32	0
assign	(resid	32	and	name	HN)	(resid	34	and	name	HG2#)	5.34	3.54	0
assign	(resid	32	and	name	HN)	(resid	34	and	name	HN)	4.44	2.64	0
assign	(resid	33	and	name	HA#)	(resid	35	and	name	HN)	5.18	3.38	0


!!Long Range NOEs (>5 residues)													
assign	(resid	2	and	name	HB#)	(resid	29	and	name	HB#)	6.5	4.7	0
assign	(resid	3	and	name	HA)	(resid	29	and	name	HH1#)	4.5	2.7	0
assign	(resid	3	and	name	HB#)	(resid	29	and	name	HH1#)	6.5	4.7	0
assign	(resid	3	and	name	HB#)	(resid	35	and	name	HA)	5.5	4.5	0
assign	(resid	3	and	name	HB#)	(resid	35	and	name	HB#)	4.32	2.52	0
assign	(resid	4	and	name	HA)	(resid	29	and	name	HB#)	5.2	3.4	0
assign	(resid	4	and	name	HN)	(resid	29	and	name	HN)	5.32	3.52	0
assign	(resid	5	and	name	HB1)	(resid	27	and	name	HA)	4.39	2.59	0
assign	(resid	5	and	name	HB2)	(resid	27	and	name	HA)	4.5	2.7	0
assign	(resid	5	and	name	HB2)	(resid	28	and	name	HA)	6.5	4.7	0
assign	(resid	5	and	name	HB#)	(resid	28	and	name	HA)	5.27	3.47	0
assign	(resid	5	and	name	HB#)	(resid	30	and	name	HG#)	5.82	4.02	0
assign	(resid	5	and	name	HG#)	(resid	27	and	name	HA)	5.5	3.7	0
assign	(resid	5	and	name	HN)	(resid	29	and	name	HG#)	4.04	2.24	0
assign	(resid	6	and	name	HB)	(resid	27	and	name	HD#)	5.5	3.7	0
assign	(resid	6	and	name	HG2#)	(resid	27	and	name	HD#)	4.67	2.87	0
assign	(resid	6	and	name	HN)	(resid	27	and	name	HB#)	6.21	4.41	0
assign	(resid	6	and	name	HN)	(resid	27	and	name	HD#)	5.19	3.39	0
assign	(resid	7	and	name	HD#)	(resid	12	and	name	HN)	5.02	3.22	0
assign	(resid	7	and	name	HD#)	(resid	23	and	name	HD#)	4.4	2.6	0
assign	(resid	7	and	name	HD#)	(resid	23	and	name	HE#)	4.05	2.25	0
assign	(resid	7	and	name	HD#)	(resid	27	and	name	HB1)	3.38	1.58	0
assign	(resid	7	and	name	HD#)	(resid	27	and	name	HB2)	3.38	1.58	0
assign	(resid	7	and	name	HD#)	(resid	27	and	name	HB#)	3.07	1.27	0
assign	(resid	7	and	name	HD#)	(resid	27	and	name	HD#)	4.61	2.81	0
assign	(resid	7	and	name	HD#)	(resid	28	and	name	HN)	5.19	3.39	0
assign	(resid	7	and	name	HD#)	(resid	23	and	name	HA)	4.97	3.17	0
assign	(resid	7	and	name	HD#)	(resid	27	and	name	HE#)	5.56	3.76	0
assign	(resid	7	and	name	HD#)	(resid	27	and	name	HN)	5.99	4.19	0
assign	(resid	7	and	name	HG2#)	(resid	27	and	name	HB1)	5.04	3.24	0
assign	(resid	7	and	name	HG2#)	(resid	27	and	name	HB2)	5.04	3.24	0
assign	(resid	7	and	name	HG2#)	(resid	27	and	name	HB#)	4.71	2.91	0
assign	(resid	7	and	name	HG1#)	(resid	27	and	name	HD#)	4.66	2.86	0
assign	(resid	7	and	name	HG1#)	(resid	27	and	name	HN)	6.32	4.52	0
assign	(resid	7	and	name	HG1#)	(resid	23	and	name	HD#)	5.59	3.79	0
assign	(resid	7	and	name	HN)	(resid	27	and	name	HB#)	6.38	4.58	0
assign	(resid	7	and	name	HG1#)	(resid	27	and	name	HB1)	4.57	2.77	0
assign	(resid	7	and	name	HG1#)	(resid	27	and	name	HB2)	4.57	2.77	0
assign	(resid	7	and	name	HG1#)	(resid	27	and	name	HB#)	4.08	2.28	0
assign	(resid	11	and	name	HB#)	(resid	23	and	name	HD#)	5.92	4.12	0
assign	(resid	11	and	name	HB#)	(resid	23	and	name	HE#)	4.72	2.92	0
assign	(resid	12	and	name	HA)	(resid	17	and	name	HN)	4.91	3.11	0
assign	(resid	12	and	name	HA)	(resid	23	and	name	HD#)	3.63	1.83	0
assign	(resid	12	and	name	HA)	(resid	23	and	name	HE#)	4.43	2.63	0
assign	(resid	12	and	name	HA)	(resid	28	and	name	HA)	7.51	5.71	0
assign	(resid	12	and	name	HB2)	(resid	23	and	name	HD#)	7.5	5.7	0
assign	(resid	12	and	name	HB#)	(resid	31	and	name	HA)	6.14	4.34	0
assign	(resid	12	and	name	HB#)	(resid	28	and	name	HA)	6.56	4.76	0
assign	(resid	12	and	name	HB#)	(resid	31	and	name	HN)	6.25	4.45	0
assign	(resid	15	and	name	HE#)	(resid	20	and	name	HN)	5.5	3.7	0
assign	(resid	16	and	name	HB1)	(resid	23	and	name	HB1)	5.92	4.12	0
assign	(resid	16	and	name	HB1)	(resid	23	and	name	HB2)	5.92	4.12	0
assign	(resid	16	and	name	HB1)	(resid	23	and	name	HD#)	4.97	3.17	0
assign	(resid	16	and	name	HB2)	(resid	23	and	name	HB1)	5.92	4.12	0
assign	(resid	16	and	name	HB2)	(resid	23	and	name	HB2)	5.92	4.12	0
assign	(resid	16	and	name	HB2)	(resid	23	and	name	HD#)	4.97	3.17	0
assign	(resid	16	and	name	HB#)	(resid	23	and	name	HB#)	4.73	2.93	0
assign	(resid	16	and	name	HB#)	(resid	23	and	name	HD#)	4.62	2.82	0
assign	(resid	16	and	name	HE2#)	(resid	23	and	name	HD#)	5.27	3.47	0
assign	(resid	16	and	name	HE2#)	(resid	23	and	name	HE#)	4.57	2.77	0
assign	(resid	16	and	name	HE2#)	(resid	23	and	name	HE#)	4.3	2.5	0
assign	(resid	16	and	name	HG#)	(resid	23	and	name	HD#)	5.6	3.8	0
assign	(resid	17	and	name	HA)	(resid	23	and	name	HB1)	4.5	2.7	0
assign	(resid	17	and	name	HA)	(resid	23	and	name	HB2)	4.5	2.7	0
assign	(resid	17	and	name	HA)	(resid	23	and	name	HB#)	4.31	2.51	0
assign	(resid	17	and	name	HA)	(resid	23	and	name	HN)	5.22	3.42	0
assign	(resid	17	and	name	HA)	(resid	24	and	name	HA)	5.53	3.73	0
assign	(resid	17	and	name	HA)	(resid	24	and	name	HB#)	5.98	4.18	0
assign	(resid	17	and	name	HA)	(resid	24	and	name	HN)	3.93	2.13	0
assign	(resid	17	and	name	HA)	(resid	32	and	name	HB2)	5.5	3.7	0
assign	(resid	17	and	name	HN)	(resid	23	and	name	HB1)	4.82	3.02	0
assign	(resid	17	and	name	HN)	(resid	23	and	name	HB#)	4.57	2.77	0
assign	(resid	22	and	name	HA)	(resid	27	and	name	HN)	4.56	2.76	0
assign	(resid	22	and	name	HA)	(resid	27	and	name	HD#)	6.5	4.7	0
assign	(resid	22	and	name	HA)	(resid	27	and	name	HE#)	7	5.2	0
assign	(resid	22	and	name	HB1)	(resid	27	and	name	HE#)	5.28	3.98	0
assign	(resid	22	and	name	HB2)	(resid	27	and	name	HE#)	5.28	3.48	0
assign	(resid	22	and	name	HB#)	(resid	27	and	name	HD#)	5.97	4.17	0
assign	(resid	22	and	name	HB#)	(resid	27	and	name	HE#)	5.99	4.19	0
assign	(resid	22	and	name	HB#)	(resid	27	and	name	HZ)	6.04	4.24	0
assign	(resid	22	and	name	HD#)	(resid	27	and	name	HD#)	4.63	2.83	0
assign	(resid	22	and	name	HD#)	(resid	27	and	name	HE#)	4.58	2.78	0
assign	(resid	22	and	name	HD#)	(resid	27	and	name	HZ)	4.48	2.68	0
assign	(resid	22	and	name	HG#)	(resid	27	and	name	HE#)	4.7	2.9	0
assign	(resid	23	and	name	HD#)	(resid	28	and	name	HB2)	7.5	5.7	0
assign	(resid	24	and	name	HA)	(resid	30	and	name	HN)	6.3	4.6	0
assign	(resid	24	and	name	HA)	(resid	32	and	name	HB1)	4.73	3.93	0
assign	(resid	24	and	name	HA)	(resid	32	and	name	HB2)	4.73	3.93	0
assign	(resid	24	and	name	HA)	(resid	32	and	name	HN)	4.95	2.15	0
assign	(resid	24	and	name	HA)	(resid	34	and	name	HN)	5.9	3.7	0
assign	(resid	24	and	name	HA)	(resid	34	and	name	HB)	3.66	1.86	0
assign	(resid	24	and	name	HA)	(resid	34	and	name	HG2#)	4.24	2.44	0
assign	(resid	24	and	name	HB#)	(resid	32	and	name	HB#)	7.49	5.69	0
assign	(resid	24	and	name	HB#)	(resid	34	and	name	HG2#)	5.99	4.19	0
assign	(resid	24	and	name	HG1)	(resid	32	and	name	HB1)	6.31	4.51	0
assign	(resid	24	and	name	HG1)	(resid	32	and	name	HB2)	6.31	4.51	0
assign	(resid	24	and	name	HG2)	(resid	32	and	name	HB1)	6.31	4.51	0
assign	(resid	24	and	name	HG2)	(resid	32	and	name	HB2)	6.31	4.51	0
assign	(resid	24	and	name	HG#)	(resid	32	and	name	HA)	6.8	5	0
assign	(resid	24	and	name	HG#)	(resid	32	and	name	HB#)	5.13	3.33	0
assign	(resid	24	and	name	HG#)	(resid	32	and	name	HN)	7.06	5.26	0
assign	(resid	24	and	name	HG#)	(resid	34	and	name	HG2#)	5.75	3.95	0
assign	(resid	24	and	name	HN)	(resid	32	and	name	HB#)	5.71	3.91	0
assign	(resid	24	and	name	HN)	(resid	34	and	name	HG2#)	5.16	3.36	0
assign	(resid	28	and	name	HA)	(resid	33	and	name	HN)	6.5	4.7	0
assign	(resid	29	and	name	HA)	(resid	35	and	name	HN)	4.5	2.7	0
assign	(resid	29	and	name	HG#)	(resid	35	and	name	HN)	6.5	4.7	0
assign	(resid	29	and	name	HH1#)	(resid	34	and	name	HG2#)	4.51	2.71	0
assign	(resid	29	and	name	HH1#)	(resid	35	and	name	HA)	6.51	4.71	0
assign	(resid	29	and	name	HH1#)	(resid	35	and	name	HB2)	5.51	3.71	0
assign	(resid	29	and	name	HN)	(resid	34	and	name	HG2#)	6.5	4.7	0
assign	(resid	30	and	name	HD#)	(resid	35	and	name	HN)	6.53	4.73	0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PFX   0           HA       PFX   0  -4.228  11.700 -12.704
    2    H1N  PFX   0           H1N      PFX   0  -2.056  12.837 -12.426
    3    H2N  PFX   0           H2N      PFX   0  -2.537  12.665 -14.047
    4    H3N  PFX   0           H3N      PFX   0  -1.345  11.642 -13.399
    5    H1B  PFX   0           1HB      PFX   0  -2.401   9.763 -14.119
    6    H2B  PFX   0           2HB      PFX   0  -3.934  10.432 -14.678
    7    HD1  PFX   0           HD1      PFX   0  -6.068   9.791 -13.413
    8    HD2  PFX   0           HD2      PFX   0  -2.331   7.750 -12.887
    9    HE1  PFX   0           HE1      PFX   0  -7.264   7.860 -12.424
   10    HE2  PFX   0           HE2      PFX   0  -3.522   5.818 -11.898
   11    HNH  PFX   0           HNH      PFX   0  -4.285  11.654 -10.413
   12    H11  PFX   0          1HNH      PFX   0  -3.106   9.761  -8.772
   13    H21  PFX   0          2HNH      PFX   0  -4.172   8.859  -9.845
   14    H12  PFX   0           1H2      PFX   0  -6.097  10.103  -9.097
   15    H22  PFX   0           2H2      PFX   0  -5.082  11.230  -8.197
   16    H14  PFX   0           1H4      PFX   0  -7.309   9.057  -7.263
   17    H24  PFX   0           2H4      PFX   0  -6.708  10.511  -6.463
   18    H15  PFX   0           1H5      PFX   0  -5.729   9.187  -4.678
   19    H25  PFX   0           2H5      PFX   0  -6.134   7.689  -5.514
   20    H17  PFX   0           1H7      PFX   0  -8.202   7.256  -6.134
   21    H27  PFX   0           2H7      PFX   0  -9.335   8.607  -6.062
   22    H    ARG   1           H        ARG   1  -7.993   6.412  -3.611
   23    HA   ARG   1           HA       ARG   1 -10.539   6.530  -2.199
   24    HB2  ARG   1           2HB      ARG   1  -9.344   3.962  -3.244
   25    HB3  ARG   1           1HB      ARG   1 -10.465   3.996  -1.882
   26    HG2  ARG   1           2HG      ARG   1 -11.948   5.443  -3.499
   27    HG3  ARG   1           1HG      ARG   1 -10.963   4.697  -4.760
   28    HD2  ARG   1           2HD      ARG   1 -11.511   2.454  -3.696
   29    HD3  ARG   1           1HD      ARG   1 -12.700   3.304  -2.712
   30    HE   ARG   1           HE       ARG   1 -12.982   3.808  -5.543
   31   HH11  ARG   1          1HH2      ARG   1 -13.725   1.712  -2.890
   32   HH12  ARG   1          2HH2      ARG   1 -15.152   1.060  -3.626
   33   HH21  ARG   1          1HH1      ARG   1 -14.849   2.961  -6.511
   34   HH22  ARG   1          2HH1      ARG   1 -15.787   1.767  -5.679
   35    H    SER   2           H        SER   2  -9.939   4.482  -0.346
   36    HA   SER   2           HA       SER   2  -7.800   5.806   1.152
   37    HB2  SER   2           2HB      SER   2  -9.167   3.549   2.429
   38    HB3  SER   2           1HB      SER   2  -8.919   5.192   3.012
   39    HG   SER   2           HG       SER   2 -11.147   4.564   2.520
   40    H    CYS   3           H        CYS   3  -7.280   3.462   2.796
   41    HA   CYS   3           HA       CYS   3  -5.254   2.231   1.102
   42    HB2  CYS   3           2HB      CYS   3  -5.865   2.099   4.056
   43    HB3  CYS   3           1HB      CYS   3  -4.634   1.093   3.296
   44    H    ILE   4           H        ILE   4  -5.918   0.594  -0.153
   45    HA   ILE   4           HA       ILE   4  -7.101  -1.742   1.081
   46    HB   ILE   4           HB       ILE   4  -8.746  -1.363  -1.177
   47   HG12  ILE   4          2HG1      ILE   4  -8.849   1.055   0.647
   48   HG13  ILE   4          1HG1      ILE   4  -8.061   1.073  -0.931
   49   HG21  ILE   4          1HG2      ILE   4  -9.473  -0.899   1.727
   50   HG22  ILE   4          2HG2      ILE   4  -9.207  -2.502   1.045
   51   HG23  ILE   4          31HG      ILE   4 -10.522  -1.494   0.441
   52   HD11  ILE   4          3HD1      ILE   4 -10.227   0.285  -1.942
   53   HD12  ILE   4          1HD1      ILE   4 -10.321   1.891  -1.220
   54   HD13  ILE   4          2HD1      ILE   4 -10.982   0.499  -0.363
   55    H    ASP   5           H        ASP   5  -6.644  -3.590  -0.035
   56    HA   ASP   5           HA       ASP   5  -4.716  -3.353  -2.195
   57    HB2  ASP   5           2HB      ASP   5  -5.717  -6.006  -1.335
   58    HB3  ASP   5           1HB      ASP   5  -4.069  -5.467  -1.630
   59    H    THR   6           H        THR   6  -4.927  -5.070  -3.970
   60    HA   THR   6           HA       THR   6  -7.686  -5.019  -5.036
   61    HB   THR   6           HB       THR   6  -6.558  -5.115  -7.294
   62    HG1  THR   6           1HG      THR   6  -4.537  -5.721  -6.953
   63   HG21  THR   6          31HG      THR   6  -7.248  -2.963  -7.000
   64   HG22  THR   6          1HG2      THR   6  -5.522  -2.647  -6.826
   65   HG23  THR   6          2HG2      THR   6  -6.531  -2.847  -5.393
   66    H    ILE   7           H        ILE   7  -5.142  -6.898  -3.908
   67    HA   ILE   7           HA       ILE   7  -6.141  -9.314  -5.289
   68    HB   ILE   7           HB       ILE   7  -3.881 -10.269  -4.582
   69   HG12  ILE   7          2HG1      ILE   7  -2.670  -7.609  -4.550
   70   HG13  ILE   7          1HG1      ILE   7  -3.756  -7.853  -3.182
   71   HG21  ILE   7          1HG2      ILE   7  -2.917  -9.568  -6.588
   72   HG22  ILE   7          2HG2      ILE   7  -3.512  -7.917  -6.414
   73   HG23  ILE   7          31HG      ILE   7  -4.619  -9.209  -6.877
   74   HD11  ILE   7          3HD1      ILE   7  -1.232  -8.618  -3.025
   75   HD12  ILE   7          1HD1      ILE   7  -1.822 -10.030  -3.899
   76   HD13  ILE   7          2HD1      ILE   7  -2.508  -9.615  -2.327
   77    HA   PRO   8           HA       PRO   8  -7.826 -10.984  -1.567
   78    HB2  PRO   8           2HB      PRO   8  -6.125 -13.374  -2.127
   79    HB3  PRO   8           1HB      PRO   8  -7.866 -13.279  -1.803
   80    HG2  PRO   8           2HG      PRO   8  -6.851 -13.656  -4.270
   81    HG3  PRO   8           1HG      PRO   8  -8.380 -12.818  -3.967
   82    HD2  PRO   8           2HD      PRO   8  -5.808 -11.704  -4.882
   83    HD3  PRO   8           1HD      PRO   8  -7.440 -11.011  -4.987
   84    H    LYS   9           H        LYS   9  -6.961  -9.924   0.181
   85    HA   LYS   9           HA       LYS   9  -4.420  -9.507   0.981
   86    HB2  LYS   9           2HB      LYS   9  -5.984 -10.448   3.262
   87    HB3  LYS   9           1HB      LYS   9  -5.313  -8.853   2.939
   88    HG2  LYS   9           2HG      LYS   9  -7.206  -8.411   1.377
   89    HG3  LYS   9           1HG      LYS   9  -7.896  -9.975   1.816
   90    HD2  LYS   9           2HD      LYS   9  -7.192  -8.390   4.165
   91    HD3  LYS   9           1HD      LYS   9  -8.357  -7.563   3.130
   92    HE2  LYS   9           2HE      LYS   9  -8.731 -10.467   3.844
   93    HE3  LYS   9           1HE      LYS   9  -9.267  -9.193   4.939
   94    HZ1  LYS   9           3HZ      LYS   9 -10.103  -9.590   2.121
   95    HZ2  LYS   9           1HZ      LYS   9 -10.512  -8.230   3.047
   96    HZ3  LYS   9           2HZ      LYS   9 -11.067  -9.769   3.508
   97    H    SER  10           H        SER  10  -6.073 -12.564   0.973
   98    HA   SER  10           HA       SER  10  -4.417 -14.004   2.745
   99    HB2  SER  10           2HB      SER  10  -6.643 -14.747   1.809
  100    HB3  SER  10           1HB      SER  10  -5.807 -15.123   0.306
  101    HG   SER  10           HG       SER  10  -4.445 -16.127   2.383
  102    H    ARG  11           H        ARG  11  -3.445 -12.419   0.070
  103    HA   ARG  11           HA       ARG  11  -1.526 -14.473  -0.801
  104    HB2  ARG  11           2HB      ARG  11  -2.265 -11.792  -1.988
  105    HB3  ARG  11           1HB      ARG  11  -1.041 -12.872  -2.649
  106    HG2  ARG  11           2HG      ARG  11  -3.772 -13.976  -2.107
  107    HG3  ARG  11           1HG      ARG  11  -3.551 -12.952  -3.526
  108    HD2  ARG  11           2HD      ARG  11  -1.524 -14.457  -4.067
  109    HD3  ARG  11           1HD      ARG  11  -2.197 -15.570  -2.882
  110    HE   ARG  11           HE       ARG  11  -3.850 -14.639  -5.149
  111   HH11  ARG  11          1HH2      ARG  11  -2.282 -17.153  -3.340
  112   HH12  ARG  11          2HH2      ARG  11  -3.101 -18.436  -4.162
  113   HH21  ARG  11          1HH1      ARG  11  -4.914 -16.324  -6.226
  114   HH22  ARG  11          2HH1      ARG  11  -4.582 -17.969  -5.798
  115    H    CYS  12           H        CYS  12  -1.781 -11.445   0.898
  116    HA   CYS  12           HA       CYS  12   1.000 -10.752   0.777
  117    HB2  CYS  12           2HB      CYS  12  -0.968  -9.188   1.274
  118    HB3  CYS  12           1HB      CYS  12  -0.944  -9.862   2.903
  119    H    THR  13           H        THR  13   2.298 -12.406   1.474
  120    HA   THR  13           HA       THR  13   1.811 -13.500   4.169
  121    HB   THR  13           HB       THR  13   2.986 -15.404   3.528
  122    HG1  THR  13           1HG      THR  13   4.489 -13.603   2.253
  123   HG21  THR  13          31HG      THR  13   1.687 -16.125   1.816
  124   HG22  THR  13          1HG2      THR  13   2.277 -14.871   0.725
  125   HG23  THR  13          2HG2      THR  13   0.982 -14.508   1.867
  126    H    ALA  14           H        ALA  14   3.686 -13.804   5.577
  127    HA   ALA  14           HA       ALA  14   5.118 -11.448   6.022
  128    HB1  ALA  14           1HB      ALA  14   5.348 -14.263   6.988
  129    HB2  ALA  14           2HB      ALA  14   5.080 -12.780   7.904
  130    HB3  ALA  14           3HB      ALA  14   6.693 -13.166   7.302
  131    H    PHE  15           H        PHE  15   5.528 -13.726   3.599
  132    HA   PHE  15           HA       PHE  15   8.405 -13.298   3.299
  133    HB2  PHE  15           2HB      PHE  15   8.146 -15.447   2.630
  134    HB3  PHE  15           1HB      PHE  15   6.426 -15.238   2.316
  135    HD1  PHE  15           2HD      PHE  15   9.755 -14.188   0.923
  136    HD2  PHE  15           1HD      PHE  15   5.679 -15.273   0.112
  137    HE1  PHE  15           2HE      PHE  15  10.206 -14.068  -1.511
  138    HE2  PHE  15           1HE      PHE  15   6.130 -15.154  -2.322
  139    HZ   PHE  15           HZ       PHE  15   8.395 -14.551  -3.135
  140    H    GLN  16           H        GLN  16   5.345 -12.520   1.715
  141    HA   GLN  16           HA       GLN  16   6.514 -11.193  -0.532
  142    HB2  GLN  16           2HB      GLN  16   3.933 -11.974   0.291
  143    HB3  GLN  16           1HB      GLN  16   3.876 -10.219   0.125
  144    HG2  GLN  16           2HG      GLN  16   3.391 -10.965  -2.041
  145    HG3  GLN  16           1HG      GLN  16   5.116 -10.620  -2.126
  146   HE21  GLN  16          1HE2      GLN  16   5.282 -12.239  -3.898
  147   HE22  GLN  16          2HE2      GLN  16   5.273 -13.896  -3.532
  148    H    CYS  17           H        CYS  17   5.487 -10.246   2.678
  149    HA   CYS  17           HA       CYS  17   5.730  -7.406   2.195
  150    HB2  CYS  17           2HB      CYS  17   4.195  -8.499   3.898
  151    HB3  CYS  17           1HB      CYS  17   5.635  -8.822   4.862
  152    H    LYS  18           H        LYS  18   8.023  -9.659   2.183
  153    HA   LYS  18           HA       LYS  18   9.997  -7.901   3.498
  154    HB2  LYS  18           2HB      LYS  18   9.777 -10.911   3.592
  155    HB3  LYS  18           1HB      LYS  18  11.264 -10.051   3.989
  156    HG2  LYS  18           2HG      LYS  18   9.717  -8.633   5.555
  157    HG3  LYS  18           1HG      LYS  18   8.624 -10.010   5.418
  158    HD2  LYS  18           2HD      LYS  18  10.392 -11.520   6.209
  159    HD3  LYS  18           1HD      LYS  18  11.519 -10.165   6.308
  160    HE2  LYS  18           2HE      LYS  18   9.594  -9.121   7.815
  161    HE3  LYS  18           1HE      LYS  18   9.180 -10.818   8.057
  162    HZ1  LYS  18           3HZ      LYS  18  11.660 -11.100   8.536
  163    HZ2  LYS  18           1HZ      LYS  18  10.699 -10.375   9.731
  164    HZ3  LYS  18           2HZ      LYS  18  11.685  -9.414   8.736
  165    H    HIS  19           H        HIS  19   9.255 -10.196   0.946
  166    HA   HIS  19           HA       HIS  19  11.821  -9.635  -0.370
  167    HB2  HIS  19           2HB      HIS  19   9.648 -11.607  -1.115
  168    HB3  HIS  19           1HB      HIS  19  11.255 -11.497  -1.838
  169    HD1  HIS  19           1HD      HIS  19  10.204 -11.453   1.832
  170    HD2  HIS  19           2HD      HIS  19  12.641 -13.630  -0.756
  171    HE1  HIS  19           1HE      HIS  19  11.410 -13.162   3.255
  172    HE2  HIS  19           2HE      HIS  19  12.905 -14.495   1.692
  173    H    SER  20           H        SER  20   8.336  -9.296  -0.812
  174    HA   SER  20           HA       SER  20   8.797  -7.817  -3.320
  175    HB2  SER  20           2HB      SER  20   6.631  -8.350  -3.949
  176    HB3  SER  20           1HB      SER  20   7.064  -9.770  -3.004
  177    HG   SER  20           HG       SER  20   6.172  -7.964  -1.311
  178    H    NLE  21           H        NLE  21   9.050  -5.697  -3.053
  179    HA   NLE  21           HA       NLE  21   8.137  -4.307  -0.722
  180    HB2  NLE  21           1HB      NLE  21   8.856  -2.694  -3.081
  181    HB3  NLE  21           2HB      NLE  21  10.093  -3.842  -2.565
  182    HG2  NLE  21           1HG      NLE  21   9.979  -2.950  -0.276
  183    HG3  NLE  21           2HG      NLE  21   8.709  -1.828  -0.765
  184    HD2  NLE  21           1HD      NLE  21  10.521  -1.142  -2.596
  185    HD3  NLE  21           2HD      NLE  21  11.636  -1.779  -1.385
  186    HE1  NLE  21           3HE      NLE  21  11.420   0.508  -0.815
  187    HE2  NLE  21           1HE      NLE  21  10.322  -0.310   0.296
  188    HE3  NLE  21           2HE      NLE  21   9.684   0.511  -1.129
  189    H    LYS  22           H        LYS  22   7.079  -4.455  -4.105
  190    HA   LYS  22           HA       LYS  22   5.161  -2.475  -4.156
  191    HB2  LYS  22           2HB      LYS  22   3.915  -3.975  -5.756
  192    HB3  LYS  22           1HB      LYS  22   5.620  -3.738  -6.147
  193    HG2  LYS  22           2HG      LYS  22   5.850  -5.900  -4.561
  194    HG3  LYS  22           1HG      LYS  22   4.222  -6.180  -5.181
  195    HD2  LYS  22           2HD      LYS  22   5.389  -5.538  -7.492
  196    HD3  LYS  22           1HD      LYS  22   6.824  -6.117  -6.644
  197    HE2  LYS  22           2HE      LYS  22   4.397  -7.622  -7.509
  198    HE3  LYS  22           1HE      LYS  22   6.087  -8.123  -7.505
  199    HZ1  LYS  22           3HZ      LYS  22   4.217  -8.844  -5.675
  200    HZ2  LYS  22           1HZ      LYS  22   5.064  -7.609  -4.878
  201    HZ3  LYS  22           2HZ      LYS  22   5.900  -8.964  -5.471
  202    H    TYR  23           H        TYR  23   5.215  -5.305  -2.230
  203    HA   TYR  23           HA       TYR  23   2.359  -5.431  -1.809
  204    HB2  TYR  23           2HB      TYR  23   4.742  -6.907  -0.871
  205    HB3  TYR  23           1HB      TYR  23   3.395  -6.833   0.267
  206    HD1  TYR  23           2HD      TYR  23   4.125  -7.505  -3.348
  207    HD2  TYR  23           1HD      TYR  23   1.595  -8.309   0.026
  208    HE1  TYR  23           2HE      TYR  23   2.903  -9.214  -4.668
  209    HE2  TYR  23           1HE      TYR  23   0.374 -10.016  -1.294
  210    HH   TYR  23           HH       TYR  23  -0.027 -10.384  -3.897
  211    H    ARG  24           H        ARG  24   5.168  -4.159  -0.073
  212    HA   ARG  24           HA       ARG  24   3.586  -3.237   2.158
  213    HB2  ARG  24           2HB      ARG  24   6.462  -2.906   1.332
  214    HB3  ARG  24           1HB      ARG  24   5.794  -2.102   2.754
  215    HG2  ARG  24           2HG      ARG  24   5.398  -4.120   3.873
  216    HG3  ARG  24           1HG      ARG  24   5.396  -5.060   2.382
  217    HD2  ARG  24           2HD      ARG  24   7.549  -4.756   4.133
  218    HD3  ARG  24           1HD      ARG  24   7.617  -5.409   2.499
  219    HE   ARG  24           HE       ARG  24   7.742  -2.521   2.612
  220   HH11  ARG  24          1HH2      ARG  24   9.488  -5.506   2.764
  221   HH12  ARG  24          2HH2      ARG  24  10.973  -4.822   2.194
  222   HH21  ARG  24          1HH1      ARG  24   9.675  -1.625   1.858
  223   HH22  ARG  24          2HH1      ARG  24  11.080  -2.622   1.682
  224    H    LEU  25           H        LEU  25   3.573  -2.146  -0.904
  225    HA   LEU  25           HA       LEU  25   2.749   0.493  -0.095
  226    HB2  LEU  25           2HB      LEU  25   4.445   1.799  -0.972
  227    HB3  LEU  25           1HB      LEU  25   5.353   0.445  -0.318
  228    HG   LEU  25           HG       LEU  25   4.785  -0.495  -2.826
  229   HD11  LEU  25          1HD1      LEU  25   5.790   2.079  -3.716
  230   HD12  LEU  25          2HD1      LEU  25   4.191   2.264  -3.002
  231   HD13  LEU  25          3HD1      LEU  25   4.434   1.144  -4.340
  232   HD21  LEU  25          31HD      LEU  25   7.094   0.927  -1.567
  233   HD22  LEU  25          1HD2      LEU  25   7.180   0.566  -3.291
  234   HD23  LEU  25          2HD2      LEU  25   6.972  -0.742  -2.127
  235    H    SER  26           H        SER  26   1.677  -1.838  -1.580
  236    HA   SER  26           HA       SER  26   0.488  -0.322  -3.735
  237    HB2  SER  26           2HB      SER  26   2.755  -1.648  -4.463
  238    HB3  SER  26           1HB      SER  26   1.528  -2.875  -4.775
  239    HG   SER  26           HG       SER  26   2.092  -0.625  -6.142
  240    H    PHE  27           H        PHE  27   0.959  -3.707  -2.686
  241    HA   PHE  27           HA       PHE  27  -1.948  -4.099  -2.978
  242    HB2  PHE  27           2HB      PHE  27   0.161  -6.217  -2.535
  243    HB3  PHE  27           1HB      PHE  27  -1.508  -6.447  -3.062
  244    HD1  PHE  27           2HD      PHE  27  -2.235  -5.275  -5.254
  245    HD2  PHE  27           1HD      PHE  27   1.863  -5.881  -4.124
  246    HE1  PHE  27           2HE      PHE  27  -1.539  -4.963  -7.615
  247    HE2  PHE  27           1HE      PHE  27   2.560  -5.568  -6.484
  248    HZ   PHE  27           HZ       PHE  27   0.860  -5.109  -8.228
  249    H    CYS  28           H        CYS  28   0.696  -4.579  -0.647
  250    HA   CYS  28           HA       CYS  28  -1.265  -5.207   1.434
  251    HB2  CYS  28           2HB      CYS  28   1.285  -6.136   0.945
  252    HB3  CYS  28           1HB      CYS  28   1.535  -4.991   2.262
  253    H    ARG  29           H        ARG  29  -2.039  -2.886   1.010
  254    HA   ARG  29           HA       ARG  29  -0.410  -0.865   2.346
  255    HB2  ARG  29           2HB      ARG  29  -3.080  -0.040   1.527
  256    HB3  ARG  29           1HB      ARG  29  -1.509   0.629   1.091
  257    HG2  ARG  29           2HG      ARG  29  -1.255  -1.410  -0.454
  258    HG3  ARG  29           1HG      ARG  29  -2.985  -1.666  -0.203
  259    HD2  ARG  29           2HD      ARG  29  -2.411  -0.260  -2.234
  260    HD3  ARG  29           1HD      ARG  29  -3.519   0.496  -1.096
  261    HE   ARG  29           HE       ARG  29  -0.631   1.083  -0.942
  262   HH11  ARG  29          1HH2      ARG  29  -3.912   2.061  -1.505
  263   HH12  ARG  29          2HH2      ARG  29  -3.571   3.751  -1.348
  264   HH21  ARG  29          1HH1      ARG  29  -0.194   3.288  -0.729
  265   HH22  ARG  29          2HH1      ARG  29  -1.472   4.444  -0.908
  266    H    LYS  30           H        LYS  30  -1.212  -2.854   4.115
  267    HA   LYS  30           HA       LYS  30  -2.440  -1.342   6.158
  268    HB2  LYS  30           2HB      LYS  30  -4.550  -2.739   6.336
  269    HB3  LYS  30           1HB      LYS  30  -4.519  -1.564   5.022
  270    HG2  LYS  30           2HG      LYS  30  -5.006  -3.280   3.639
  271    HG3  LYS  30           1HG      LYS  30  -3.357  -3.842   3.913
  272    HD2  LYS  30           2HD      LYS  30  -4.056  -5.255   5.728
  273    HD3  LYS  30           1HD      LYS  30  -5.676  -4.557   5.719
  274    HE2  LYS  30           2HE      LYS  30  -5.598  -6.765   4.575
  275    HE3  LYS  30           1HE      LYS  30  -6.090  -5.463   3.490
  276    HZ1  LYS  30           3HZ      LYS  30  -3.658  -5.306   2.883
  277    HZ2  LYS  30           1HZ      LYS  30  -4.486  -6.676   2.322
  278    HZ3  LYS  30           2HZ      LYS  30  -3.457  -6.800   3.669
  279    H    THR  31           H        THR  31  -2.139  -4.635   4.893
  280    HA   THR  31           HA       THR  31  -2.028  -5.980   7.356
  281    HB   THR  31           HB       THR  31  -0.299  -7.203   5.382
  282    HG1  THR  31           1HG      THR  31  -1.757  -5.674   4.159
  283   HG21  THR  31          31HG      THR  31  -3.028  -7.825   6.535
  284   HG22  THR  31          1HG2      THR  31  -1.477  -8.486   7.053
  285   HG23  THR  31          2HG2      THR  31  -2.141  -8.923   5.478
  286    H    CYS  32           H        CYS  32   0.602  -4.808   5.263
  287    HA   CYS  32           HA       CYS  32   2.669  -5.434   7.147
  288    HB2  CYS  32           2HB      CYS  32   2.637  -3.599   4.736
  289    HB3  CYS  32           1HB      CYS  32   4.082  -4.021   5.653
  290    H    GLY  33           H        GLY  33   0.223  -3.373   7.455
  291    HA2  GLY  33           2HA      GLY  33  -0.176  -1.468   8.682
  292    HA3  GLY  33           1HA      GLY  33   1.287  -1.890   9.571
  293    H    THR  34           H        THR  34   1.183  -1.254   6.117
  294    HA   THR  34           HA       THR  34   3.178   0.840   6.450
  295    HB   THR  34           HB       THR  34   3.416  -0.816   4.638
  296    HG1  THR  34           1HG      THR  34   2.821   1.742   3.584
  297   HG21  THR  34          31HG      THR  34   0.762   0.349   3.807
  298   HG22  THR  34          1HG2      THR  34   1.195  -1.347   4.026
  299   HG23  THR  34          2HG2      THR  34   1.824  -0.447   2.645
  300    H    CYS  35           H        CYS  35  -0.189   0.664   6.322
  301    HA   CYS  35           HA       CYS  35  -0.470   3.389   5.247
  302    HB2  CYS  35           2HB      CYS  35  -1.967   1.717   4.324
  303    HB3  CYS  35           1HB      CYS  35  -2.550   1.302   5.932
  304    HN1  NH2  36           H2       NH2  36  -0.277   3.995   8.885
  305    HN2  NH2  36           H1       NH2  36   0.778   3.468   7.664
  Start of MODEL    2
    1    HA   PFX   0           HA       PFX   0  -0.904  14.790  -4.484
    2    H1N  PFX   0           H1N      PFX   0  -2.488  16.177  -5.114
    3    H2N  PFX   0           H2N      PFX   0  -3.111  16.124  -3.534
    4    H3N  PFX   0           H3N      PFX   0  -3.715  15.071  -4.722
    5    H1B  PFX   0           1HB      PFX   0  -1.926  15.527  -2.087
    6    H2B  PFX   0           2HB      PFX   0  -0.587  14.393  -2.253
    7    HD1  PFX   0           HD1      PFX   0  -4.341  14.317  -2.473
    8    HD2  PFX   0           HD2      PFX   0  -0.769  12.419  -1.040
    9    HE1  PFX   0           HE1      PFX   0  -5.708  12.500  -1.420
   10    HE2  PFX   0           HE2      PFX   0  -2.133  10.642   0.015
   11    HNH  PFX   0           HNH      PFX   0  -3.079  13.748  -6.204
   12    H11  PFX   0          1HNH      PFX   0  -5.241  12.815  -5.520
   13    H21  PFX   0          2HNH      PFX   0  -4.357  11.736  -4.447
   14    H12  PFX   0           1H2      PFX   0  -3.215  10.883  -6.630
   15    H22  PFX   0           2H2      PFX   0  -4.580  11.644  -7.446
   16    H14  PFX   0           1H4      PFX   0  -3.576   8.740  -6.772
   17    H24  PFX   0           2H4      PFX   0  -4.969   7.980  -6.002
   18    H15  PFX   0           1H5      PFX   0  -3.196   7.928  -4.392
   19    H25  PFX   0           2H5      PFX   0  -4.308   9.193  -3.869
   20    H17  PFX   0           1H7      PFX   0  -1.532   8.914  -3.129
   21    H27  PFX   0           2H7      PFX   0  -0.602  10.185  -3.920
   22    H    ARG   1           H        ARG   1   0.875   8.394  -3.714
   23    HA   ARG   1           HA       ARG   1   1.422   6.314  -5.281
   24    HB2  ARG   1           2HB      ARG   1   0.966   6.438  -2.327
   25    HB3  ARG   1           1HB      ARG   1   1.237   4.861  -3.065
   26    HG2  ARG   1           2HG      ARG   1   3.144   6.786  -4.099
   27    HG3  ARG   1           1HG      ARG   1   3.194   6.762  -2.339
   28    HD2  ARG   1           2HD      ARG   1   4.668   5.059  -3.654
   29    HD3  ARG   1           1HD      ARG   1   3.767   4.496  -2.249
   30    HE   ARG   1           HE       ARG   1   2.348   3.296  -3.685
   31   HH11  ARG   1          1HH2      ARG   1   4.558   5.335  -5.395
   32   HH12  ARG   1          2HH2      ARG   1   4.250   4.611  -6.937
   33   HH21  ARG   1          1HH1      ARG   1   1.937   2.341  -5.704
   34   HH22  ARG   1          2HH1      ARG   1   2.763   2.917  -7.113
   35    H    SER   2           H        SER   2  -0.715   5.145  -2.806
   36    HA   SER   2           HA       SER   2  -3.143   4.781  -3.820
   37    HB2  SER   2           2HB      SER   2  -2.644   4.052  -5.960
   38    HB3  SER   2           1HB      SER   2  -1.180   3.218  -5.449
   39    HG   SER   2           HG       SER   2  -3.151   2.069  -4.174
   40    H    CYS   3           H        CYS   3  -3.036   4.529  -1.450
   41    HA   CYS   3           HA       CYS   3  -2.002   2.061  -0.370
   42    HB2  CYS   3           2HB      CYS   3  -2.095   4.211   0.910
   43    HB3  CYS   3           1HB      CYS   3  -3.851   4.059   0.940
   44    H    ILE   4           H        ILE   4  -3.505   1.192  -2.290
   45    HA   ILE   4           HA       ILE   4  -5.918   0.143  -0.960
   46    HB   ILE   4           HB       ILE   4  -6.161   0.460  -3.870
   47   HG12  ILE   4          2HG1      ILE   4  -4.870   2.553  -3.190
   48   HG13  ILE   4          1HG1      ILE   4  -6.467   2.858  -3.880
   49   HG21  ILE   4          1HG2      ILE   4  -8.037  -0.231  -2.500
   50   HG22  ILE   4          2HG2      ILE   4  -8.378   1.389  -3.110
   51   HG23  ILE   4          31HG      ILE   4  -7.839   1.167  -1.450
   52   HD11  ILE   4          3HD1      ILE   4  -7.224   3.770  -1.960
   53   HD12  ILE   4          1HD1      ILE   4  -5.545   3.788  -1.420
   54   HD13  ILE   4          2HD1      ILE   4  -6.592   2.435  -0.990
   55    H    ASP   5           H        ASP   5  -6.371  -1.987  -1.370
   56    HA   ASP   5           HA       ASP   5  -4.333  -3.460  -2.930
   57    HB2  ASP   5           2HB      ASP   5  -4.548  -5.261  -1.430
   58    HB3  ASP   5           1HB      ASP   5  -4.576  -3.834  -0.390
   59    H    THR   6           H        THR   6  -5.012  -5.334  -4.100
   60    HA   THR   6           HA       THR   6  -7.869  -5.289  -4.860
   61    HB   THR   6           HB       THR   6  -7.052  -6.072  -7.130
   62    HG1  THR   6           1HG      THR   6  -4.906  -5.865  -7.560
   63   HG21  THR   6          31HG      THR   6  -5.842  -3.396  -6.500
   64   HG22  THR   6          1HG2      THR   6  -7.582  -3.625  -6.330
   65   HG23  THR   6          2HG2      THR   6  -6.806  -3.884  -7.900
   66    H    ILE   7           H        ILE   7  -5.138  -7.108  -3.840
   67    HA   ILE   7           HA       ILE   7  -6.484  -9.669  -4.400
   68    HB   ILE   7           HB       ILE   7  -4.338 -10.706  -3.920
   69   HG12  ILE   7          2HG1      ILE   7  -3.522  -7.886  -3.160
   70   HG13  ILE   7          1HG1      ILE   7  -3.542  -9.307  -2.120
   71   HG21  ILE   7          1HG2      ILE   7  -3.362 -10.101  -5.910
   72   HG22  ILE   7          2HG2      ILE   7  -3.465  -8.376  -5.550
   73   HG23  ILE   7          31HG      ILE   7  -4.891  -9.246  -6.120
   74   HD11  ILE   7          3HD1      ILE   7  -1.375  -9.595  -2.690
   75   HD12  ILE   7          1HD1      ILE   7  -1.493  -8.427  -4.010
   76   HD13  ILE   7          2HD1      ILE   7  -1.970 -10.104  -4.270
   77    HA   PRO   8           HA       PRO   8  -7.671 -10.085  -0.180
   78    HB2  PRO   8           2HB      PRO   8  -7.689 -12.823   0.030
   79    HB3  PRO   8           1HB      PRO   8  -8.953 -11.893  -0.790
   80    HG2  PRO   8           2HG      PRO   8  -6.680 -13.428  -1.930
   81    HG3  PRO   8           1HG      PRO   8  -8.331 -13.225  -2.540
   82    HD2  PRO   8           2HD      PRO   8  -6.168 -11.856  -3.540
   83    HD3  PRO   8           1HD      PRO   8  -7.835 -11.245  -3.610
   84    H    LYS   9           H        LYS   9  -6.490  -9.816   1.610
   85    HA   LYS   9           HA       LYS   9  -3.883  -9.869   2.050
   86    HB2  LYS   9           2HB      LYS   9  -5.202 -11.304   4.250
   87    HB3  LYS   9           1HB      LYS   9  -4.332  -9.771   4.260
   88    HG2  LYS   9           2HG      LYS   9  -6.324  -8.689   3.200
   89    HG3  LYS   9           1HG      LYS   9  -7.192 -10.219   3.350
   90    HD2  LYS   9           2HD      LYS   9  -5.912  -9.410   5.850
   91    HD3  LYS   9           1HD      LYS   9  -7.075  -8.215   5.280
   92    HE2  LYS   9           2HE      LYS   9  -7.683 -11.175   5.490
   93    HE3  LYS   9           1HE      LYS   9  -8.081 -10.001   6.750
   94    HZ1  LYS   9           3HZ      LYS   9  -9.966 -10.320   5.320
   95    HZ2  LYS   9           1HZ      LYS   9  -9.046  -9.984   3.940
   96    HZ3  LYS   9           2HZ      LYS   9  -9.352  -8.755   5.070
   97    H    SER  10           H        SER  10  -5.830 -12.763   1.720
   98    HA   SER  10           HA       SER  10  -4.089 -14.703   2.700
   99    HB2  SER  10           2HB      SER  10  -6.466 -15.004   1.820
  100    HB3  SER  10           1HB      SER  10  -5.759 -15.053   0.210
  101    HG   SER  10           HG       SER  10  -5.853 -16.966   2.100
  102    H    ARG  11           H        ARG  11  -3.343 -12.470   0.400
  103    HA   ARG  11           HA       ARG  11  -1.535 -14.292  -1.050
  104    HB2  ARG  11           2HB      ARG  11  -3.079 -11.912  -1.820
  105    HB3  ARG  11           1HB      ARG  11  -1.409 -11.906  -2.390
  106    HG2  ARG  11           2HG      ARG  11  -3.240 -14.291  -2.730
  107    HG3  ARG  11           1HG      ARG  11  -3.088 -13.023  -3.950
  108    HD2  ARG  11           2HD      ARG  11  -1.282 -14.098  -4.750
  109    HD3  ARG  11           1HD      ARG  11  -0.448 -13.703  -3.250
  110    HE   ARG  11           HE       ARG  11  -2.055 -15.996  -2.840
  111   HH11  ARG  11          1HH2      ARG  11   0.774 -14.907  -4.510
  112   HH12  ARG  11          2HH2      ARG  11   1.552 -16.454  -4.480
  113   HH21  ARG  11          1HH1      ARG  11  -1.043 -18.025  -2.800
  114   HH22  ARG  11          2HH1      ARG  11   0.524 -18.220  -3.510
  115    H    CYS  12           H        CYS  12  -1.522 -12.308   1.530
  116    HA   CYS  12           HA       CYS  12   1.165 -11.218   1.000
  117    HB2  CYS  12           2HB      CYS  12  -1.133 -10.342   2.630
  118    HB3  CYS  12           1HB      CYS  12   0.449 -10.145   3.390
  119    H    THR  13           H        THR  13   2.695 -12.632   1.570
  120    HA   THR  13           HA       THR  13   2.356 -14.102   4.120
  121    HB   THR  13           HB       THR  13   3.714 -15.831   3.250
  122    HG1  THR  13           1HG      THR  13   4.607 -13.781   1.630
  123   HG21  THR  13          31HG      THR  13   2.680 -16.306   0.980
  124   HG22  THR  13          1HG2      THR  13   1.940 -14.708   1.060
  125   HG23  THR  13          2HG2      THR  13   1.519 -15.933   2.260
  126    H    ALA  14           H        ALA  14   4.332 -14.434   5.380
  127    HA   ALA  14           HA       ALA  14   5.670 -12.040   5.960
  128    HB1  ALA  14           1HB      ALA  14   6.323 -14.914   6.620
  129    HB2  ALA  14           2HB      ALA  14   5.568 -13.710   7.660
  130    HB3  ALA  14           3HB      ALA  14   7.271 -13.559   7.230
  131    H    PHE  15           H        PHE  15   5.975 -13.835   3.240
  132    HA   PHE  15           HA       PHE  15   8.856 -13.301   2.920
  133    HB2  PHE  15           2HB      PHE  15   8.850 -15.380   2.060
  134    HB3  PHE  15           1HB      PHE  15   7.090 -15.442   2.080
  135    HD1  PHE  15           2HD      PHE  15   9.664 -13.453   0.190
  136    HD2  PHE  15           1HD      PHE  15   6.186 -15.968   0.010
  137    HE1  PHE  15           2HE      PHE  15   9.623 -13.228  -2.270
  138    HE2  PHE  15           1HE      PHE  15   6.147 -15.744  -2.450
  139    HZ   PHE  15           HZ       PHE  15   7.865 -14.374  -3.590
  140    H    GLN  16           H        GLN  16   5.695 -12.815   1.380
  141    HA   GLN  16           HA       GLN  16   6.734 -11.241  -0.780
  142    HB2  GLN  16           2HB      GLN  16   3.997 -11.874   0.270
  143    HB3  GLN  16           1HB      GLN  16   4.203 -10.595  -0.910
  144    HG2  GLN  16           2HG      GLN  16   5.469 -13.285  -1.360
  145    HG3  GLN  16           1HG      GLN  16   3.762 -13.044  -1.730
  146   HE21  GLN  16          1HE2      GLN  16   7.049 -12.079  -2.650
  147   HE22  GLN  16          2HE2      GLN  16   6.605 -11.324  -4.100
  148    H    CYS  17           H        CYS  17   4.840 -10.459   2.120
  149    HA   CYS  17           HA       CYS  17   4.911  -7.644   1.830
  150    HB2  CYS  17           2HB      CYS  17   3.278  -8.550   3.280
  151    HB3  CYS  17           1HB      CYS  17   4.473  -9.490   4.170
  152    H    LYS  18           H        LYS  18   7.490  -9.597   2.120
  153    HA   LYS  18           HA       LYS  18   9.023  -7.577   3.640
  154    HB2  LYS  18           2HB      LYS  18   8.759  -9.659   4.950
  155    HB3  LYS  18           1HB      LYS  18   9.494 -10.567   3.630
  156    HG2  LYS  18           2HG      LYS  18  11.602  -9.660   3.990
  157    HG3  LYS  18           1HG      LYS  18  10.956  -8.197   4.740
  158    HD2  LYS  18           2HD      LYS  18  10.361 -10.732   6.160
  159    HD3  LYS  18           1HD      LYS  18  12.052 -10.229   6.170
  160    HE2  LYS  18           2HE      LYS  18   9.758  -8.403   6.930
  161    HE3  LYS  18           1HE      LYS  18  10.703  -9.324   8.100
  162    HZ1  LYS  18           3HZ      LYS  18  11.570  -7.088   7.840
  163    HZ2  LYS  18           1HZ      LYS  18  11.782  -7.330   6.000
  164    HZ3  LYS  18           2HZ      LYS  18  12.701  -8.229   7.000
  165    H    HIS  19           H        HIS  19   9.067 -10.025   1.093
  166    HA   HIS  19           HA       HIS  19  11.649  -9.041   0.132
  167    HB2  HIS  19           2HB      HIS  19   9.897 -11.273  -0.910
  168    HB3  HIS  19           1HB      HIS  19  11.542 -10.913  -1.440
  169    HD1  HIS  19           1HD      HIS  19   9.856 -11.443   1.953
  170    HD2  HIS  19           2HD      HIS  19  13.307 -12.551  -0.100
  171    HE1  HIS  19           1HE      HIS  19  11.175 -12.930   3.519
  172    HE2  HIS  19           2HE      HIS  19  13.287 -13.608   2.283
  173    H    SER  20           H        SER  20   8.265  -8.757  -0.550
  174    HA   SER  20           HA       SER  20   8.859  -7.453  -3.130
  175    HB2  SER  20           2HB      SER  20   6.576  -7.859  -3.740
  176    HB3  SER  20           1HB      SER  20   7.209  -9.361  -3.070
  177    HG   SER  20           HG       SER  20   5.744  -9.223  -1.590
  178    H    NLE  21           H        NLE  21   8.921  -5.317  -3.130
  179    HA   NLE  21           HA       NLE  21   7.986  -3.753  -0.910
  180    HB2  NLE  21           1HB      NLE  21   8.617  -1.828  -2.500
  181    HB3  NLE  21           2HB      NLE  21   9.202  -3.087  -3.580
  182    HG2  NLE  21           1HG      NLE  21  10.872  -3.778  -2.080
  183    HG3  NLE  21           2HG      NLE  21  10.055  -3.054  -0.700
  184    HD2  NLE  21           1HD      NLE  21  10.502  -0.793  -1.700
  185    HD3  NLE  21           2HD      NLE  21  11.453  -1.589  -2.960
  186    HE1  NLE  21           3HE      NLE  21  12.388  -0.742  -0.460
  187    HE2  NLE  21           1HE      NLE  21  13.224  -1.826  -1.570
  188    HE3  NLE  21           2HE      NLE  21  12.215  -2.488  -0.290
  189    H    LYS  22           H        LYS  22   6.927  -4.308  -4.240
  190    HA   LYS  22           HA       LYS  22   4.827  -2.440  -4.320
  191    HB2  LYS  22           2HB      LYS  22   3.863  -4.254  -5.990
  192    HB3  LYS  22           1HB      LYS  22   5.289  -3.307  -6.410
  193    HG2  LYS  22           2HG      LYS  22   6.655  -5.113  -6.330
  194    HG3  LYS  22           1HG      LYS  22   5.906  -5.723  -4.850
  195    HD2  LYS  22           2HD      LYS  22   4.203  -6.835  -6.020
  196    HD3  LYS  22           1HD      LYS  22   4.450  -5.878  -7.480
  197    HE2  LYS  22           2HE      LYS  22   6.254  -8.039  -6.370
  198    HE3  LYS  22           1HE      LYS  22   5.403  -8.039  -7.910
  199    HZ1  LYS  22           3HZ      LYS  22   7.889  -6.771  -7.180
  200    HZ2  LYS  22           1HZ      LYS  22   6.833  -5.766  -8.050
  201    HZ3  LYS  22           2HZ      LYS  22   7.323  -7.254  -8.710
  202    H    TYR  23           H        TYR  23   5.140  -4.633  -2.040
  203    HA   TYR  23           HA       TYR  23   2.288  -5.374  -1.950
  204    HB2  TYR  23           2HB      TYR  23   4.783  -6.634  -0.960
  205    HB3  TYR  23           1HB      TYR  23   3.357  -6.787   0.067
  206    HD1  TYR  23           1HD      TYR  23   3.985  -6.797  -3.630
  207    HD2  TYR  23           2HD      TYR  23   2.211  -8.785  -0.260
  208    HE1  TYR  23           1HE      TYR  23   3.082  -8.545  -5.140
  209    HE2  TYR  23           2HE      TYR  23   1.308 -10.535  -1.770
  210    HH   TYR  23           HH       TYR  23   1.233 -11.308  -3.850
  211    H    ARG  24           H        ARG  24   4.930  -4.074   0.031
  212    HA   ARG  24           HA       ARG  24   3.203  -3.357   2.213
  213    HB2  ARG  24           2HB      ARG  24   5.948  -2.232   1.696
  214    HB3  ARG  24           1HB      ARG  24   5.138  -2.465   3.241
  215    HG2  ARG  24           2HG      ARG  24   5.523  -4.756   3.265
  216    HG3  ARG  24           1HG      ARG  24   5.633  -4.865   1.510
  217    HD2  ARG  24           2HD      ARG  24   7.706  -3.848   3.448
  218    HD3  ARG  24           1HD      ARG  24   7.859  -5.140   2.262
  219    HE   ARG  24           HE       ARG  24   7.467  -3.118   0.617
  220   HH11  ARG  24          1HH2      ARG  24   9.290  -3.243   3.550
  221   HH12  ARG  24          2HH2      ARG  24  10.396  -1.994   3.081
  222   HH21  ARG  24          1HH1      ARG  24   8.907  -1.473  -0.000
  223   HH22  ARG  24          2HH1      ARG  24  10.176  -0.987   1.068
  224    H    LEU  25           H        LEU  25   3.558  -2.026  -0.830
  225    HA   LEU  25           HA       LEU  25   2.397   0.500   0.103
  226    HB2  LEU  25           2HB      LEU  25   3.904   1.803  -1.390
  227    HB3  LEU  25           1HB      LEU  25   4.742   1.042  -0.040
  228    HG   LEU  25           HG       LEU  25   4.758  -0.891  -2.070
  229   HD11  LEU  25          1HD1      LEU  25   4.099   1.095  -3.550
  230   HD12  LEU  25          2HD1      LEU  25   5.529   0.190  -4.040
  231   HD13  LEU  25          3HD1      LEU  25   5.707   1.738  -3.220
  232   HD21  LEU  25          31HD      LEU  25   6.617  -0.673  -0.620
  233   HD22  LEU  25          1HD2      LEU  25   6.790   1.049  -0.960
  234   HD23  LEU  25          2HD2      LEU  25   7.235  -0.144  -2.180
  235    H    SER  26           H        SER  26   1.473  -1.906  -1.450
  236    HA   SER  26           HA       SER  26   0.143  -0.386  -3.550
  237    HB2  SER  26           2HB      SER  26   2.385  -1.960  -4.210
  238    HB3  SER  26           1HB      SER  26   0.976  -2.885  -4.710
  239    HG   SER  26           HG       SER  26   1.812  -0.304  -5.480
  240    H    PHE  27           H        PHE  27   0.695  -3.787  -2.650
  241    HA   PHE  27           HA       PHE  27  -2.218  -4.218  -2.730
  242    HB2  PHE  27           2HB      PHE  27  -0.031  -6.283  -2.410
  243    HB3  PHE  27           1HB      PHE  27  -1.719  -6.564  -2.840
  244    HD1  PHE  27           2HD      PHE  27  -2.546  -5.082  -4.930
  245    HD2  PHE  27           1HD      PHE  27   1.513  -6.243  -4.150
  246    HE1  PHE  27           2HE      PHE  27  -1.995  -4.762  -7.330
  247    HE2  PHE  27           1HE      PHE  27   2.066  -5.916  -6.550
  248    HZ   PHE  27           HZ       PHE  27   0.311  -5.180  -8.140
  249    H    CYS  28           H        CYS  28   0.572  -4.916  -0.630
  250    HA   CYS  28           HA       CYS  28  -1.197  -5.366   1.656
  251    HB2  CYS  28           2HB      CYS  28   1.397  -6.249   0.889
  252    HB3  CYS  28           1HB      CYS  28   1.575  -5.311   2.371
  253    H    ARG  29           H        ARG  29  -1.182  -2.769   0.455
  254    HA   ARG  29           HA       ARG  29   0.474  -0.986   1.936
  255    HB2  ARG  29           2HB      ARG  29  -1.508   0.622   1.135
  256    HB3  ARG  29           1HB      ARG  29  -0.190   0.129   0.083
  257    HG2  ARG  29           2HG      ARG  29  -2.389  -0.162  -1.010
  258    HG3  ARG  29           1HG      ARG  29  -1.573  -1.706  -0.800
  259    HD2  ARG  29           2HD      ARG  29  -4.098  -1.457  -0.120
  260    HD3  ARG  29           1HD      ARG  29  -3.004  -2.379   0.903
  261    HE   ARG  29           HE       ARG  29  -2.755  -0.049   2.070
  262   HH11  ARG  29          1HH2      ARG  29  -5.605  -1.436   0.683
  263   HH12  ARG  29          2HH2      ARG  29  -6.687  -0.590   1.739
  264   HH21  ARG  29          1HH1      ARG  29  -4.146   1.050   3.447
  265   HH22  ARG  29          2HH1      ARG  29  -5.859   0.824   3.308
  266    H    LYS  30           H        LYS  30  -1.124  -2.897   3.543
  267    HA   LYS  30           HA       LYS  30  -2.044  -1.011   5.524
  268    HB2  LYS  30           2HB      LYS  30  -4.346  -2.153   5.612
  269    HB3  LYS  30           1HB      LYS  30  -4.072  -0.969   4.334
  270    HG2  LYS  30           2HG      LYS  30  -4.484  -2.533   2.770
  271    HG3  LYS  30           1HG      LYS  30  -3.173  -3.527   3.402
  272    HD2  LYS  30           2HD      LYS  30  -4.683  -4.503   5.069
  273    HD3  LYS  30           1HD      LYS  30  -5.998  -3.474   4.500
  274    HE2  LYS  30           2HE      LYS  30  -6.274  -5.638   3.471
  275    HE3  LYS  30           1HE      LYS  30  -5.721  -4.521   2.223
  276    HZ1  LYS  30           3HZ      LYS  30  -4.171  -6.070   1.858
  277    HZ2  LYS  30           1HZ      LYS  30  -4.391  -6.811   3.368
  278    HZ3  LYS  30           2HZ      LYS  30  -3.407  -5.433   3.235
  279    H    THR  31           H        THR  31  -2.197  -4.399   4.476
  280    HA   THR  31           HA       THR  31  -2.538  -5.616   6.948
  281    HB   THR  31           HB       THR  31  -0.724  -7.208   5.422
  282    HG1  THR  31           1HG      THR  31  -1.205  -5.747   3.734
  283   HG21  THR  31          31HG      THR  31  -3.749  -7.292   5.591
  284   HG22  THR  31          1HG2      THR  31  -2.663  -7.952   6.814
  285   HG23  THR  31          2HG2      THR  31  -2.680  -8.637   5.189
  286    H    CYS  32           H        CYS  32   0.551  -4.968   5.286
  287    HA   CYS  32           HA       CYS  32   2.181  -5.785   7.458
  288    HB2  CYS  32           2HB      CYS  32   2.903  -3.796   5.295
  289    HB3  CYS  32           1HB      CYS  32   4.003  -4.803   6.235
  290    H    GLY  33           H        GLY  33  -0.035  -3.715   7.913
  291    HA2  GLY  33           2HA      GLY  33  -0.351  -1.762   9.116
  292    HA3  GLY  33           1HA      GLY  33   1.036  -2.329  10.040
  293    H    THR  34           H        THR  34   1.167  -1.617   6.651
  294    HA   THR  34           HA       THR  34   3.353   0.206   7.018
  295    HB   THR  34           HB       THR  34   3.577  -1.021   5.048
  296    HG1  THR  34           1HG      THR  34   3.884   1.173   4.627
  297   HG21  THR  34          31HG      THR  34   1.199  -1.850   5.024
  298   HG22  THR  34          1HG2      THR  34   1.840  -1.442   3.445
  299   HG23  THR  34          2HG2      THR  34   0.732  -0.335   4.254
  300    H    CYS  35           H        CYS  35   0.069   0.614   5.651
  301    HA   CYS  35           HA       CYS  35   0.289   3.456   5.495
  302    HB2  CYS  35           2HB      CYS  35  -1.779   1.426   5.009
  303    HB3  CYS  35           1HB      CYS  35  -2.405   2.974   5.574
  304    HN1  NH2  36           H2       NH2  36  -0.556   2.700   9.282
  305    HN2  NH2  36           H1       NH2  36   0.265   1.639   8.243
  Start of MODEL    3
    1    HA   PFX   0           HA       PFX   0 -13.207   9.307  -5.046
    2    H1N  PFX   0           H1N      PFX   0 -13.694  12.045  -5.888
    3    H2N  PFX   0           H2N      PFX   0 -14.368  11.164  -4.601
    4    H3N  PFX   0           H3N      PFX   0 -14.949  10.943  -6.182
    5    H1B  PFX   0           1HB      PFX   0 -12.416   8.991  -7.559
    6    H2B  PFX   0           2HB      PFX   0 -13.718  10.139  -7.878
    7    HD1  PFX   0           HD1      PFX   0 -12.923   6.722  -7.399
    8    HD2  PFX   0           HD2      PFX   0 -16.003   9.616  -6.653
    9    HE1  PFX   0           HE1      PFX   0 -14.580   4.896  -7.166
   10    HE2  PFX   0           HE2      PFX   0 -17.662   7.792  -6.419
   11    HNH  PFX   0           HNH      PFX   0 -10.566  10.683  -4.125
   12    H11  PFX   0          1HNH      PFX   0 -10.961   8.256  -5.776
   13    H21  PFX   0          2HNH      PFX   0 -10.781   8.223  -4.024
   14    H12  PFX   0           1H2      PFX   0  -8.548   9.601  -5.257
   15    H22  PFX   0           2H2      PFX   0  -8.734   7.984  -5.933
   16    H14  PFX   0           1H4      PFX   0  -6.616   8.089  -2.782
   17    H24  PFX   0           2H4      PFX   0  -6.841   9.445  -3.886
   18    H15  PFX   0           1H5      PFX   0  -6.843   7.011  -5.410
   19    H25  PFX   0           2H5      PFX   0  -5.424   7.020  -4.365
   20    H17  PFX   0           1H7      PFX   0  -4.581   9.367  -4.029
   21    H27  PFX   0           2H7      PFX   0  -4.144  10.149  -5.548
   22    H    ARG   1           H        ARG   1  -3.299   8.015  -3.228
   23    HA   ARG   1           HA       ARG   1  -0.696   8.335  -4.485
   24    HB2  ARG   1           2HB      ARG   1  -1.644   7.837  -1.675
   25    HB3  ARG   1           1HB      ARG   1   0.055   7.646  -2.104
   26    HG2  ARG   1           2HG      ARG   1  -0.922  10.107  -3.229
   27    HG3  ARG   1           1HG      ARG   1  -1.325  10.059  -1.512
   28    HD2  ARG   1           2HD      ARG   1   1.418   9.659  -2.734
   29    HD3  ARG   1           1HD      ARG   1   0.887  11.035  -1.774
   30    HE   ARG   1           HE       ARG   1   0.719   9.499   0.141
   31   HH11  ARG   1          1HH2      ARG   1   2.469   8.442  -2.668
   32   HH12  ARG   1          2HH2      ARG   1   3.399   7.268  -1.804
   33   HH21  ARG   1          1HH1      ARG   1   1.942   7.961   1.261
   34   HH22  ARG   1          2HH1      ARG   1   3.107   6.998   0.414
   35    H    SER   2           H        SER   2  -1.242   5.883  -2.067
   36    HA   SER   2           HA       SER   2  -1.050   3.706  -3.998
   37    HB2  SER   2           2HB      SER   2   1.212   4.633  -2.329
   38    HB3  SER   2           1HB      SER   2   0.929   2.894  -2.340
   39    HG   SER   2           HG       SER   2   0.822   4.258  -4.772
   40    H    CYS   3           H        CYS   3  -2.752   4.813  -1.665
   41    HA   CYS   3           HA       CYS   3  -2.679   2.494   0.130
   42    HB2  CYS   3           2HB      CYS   3  -3.093   5.149   0.646
   43    HB3  CYS   3           1HB      CYS   3  -4.743   4.531   0.593
   44    H    ILE   4           H        ILE   4  -3.409   1.073  -1.601
   45    HA   ILE   4           HA       ILE   4  -6.277   0.729  -1.500
   46    HB   ILE   4           HB       ILE   4  -5.902   0.446  -4.222
   47   HG12  ILE   4          2HG1      ILE   4  -4.744   3.135  -3.480
   48   HG13  ILE   4          1HG1      ILE   4  -3.698   1.740  -3.752
   49   HG21  ILE   4          1HG2      ILE   4  -7.126   2.773  -4.196
   50   HG22  ILE   4          2HG2      ILE   4  -7.114   2.548  -2.447
   51   HG23  ILE   4          31HG      ILE   4  -7.918   1.368  -3.484
   52   HD11  ILE   4          3HD1      ILE   4  -4.733   1.434  -5.994
   53   HD12  ILE   4          1HD1      ILE   4  -3.947   3.006  -5.835
   54   HD13  ILE   4          2HD1      ILE   4  -5.702   2.882  -5.721
   55    H    ASP   5           H        ASP   5  -6.738  -1.408  -1.496
   56    HA   ASP   5           HA       ASP   5  -4.547  -3.248  -2.229
   57    HB2  ASP   5           2HB      ASP   5  -6.081  -4.817  -0.739
   58    HB3  ASP   5           1HB      ASP   5  -4.900  -3.726  -0.018
   59    H    THR   6           H        THR   6  -4.978  -5.129  -3.366
   60    HA   THR   6           HA       THR   6  -7.633  -5.748  -4.314
   61    HB   THR   6           HB       THR   6  -7.029  -5.498  -6.724
   62    HG1  THR   6           1HG      THR   6  -4.898  -5.359  -6.835
   63   HG21  THR   6          31HG      THR   6  -8.300  -3.754  -5.376
   64   HG22  THR   6          1HG2      THR   6  -7.496  -3.151  -6.826
   65   HG23  THR   6          2HG2      THR   6  -6.776  -2.874  -5.239
   66    H    ILE   7           H        ILE   7  -5.483  -7.035  -2.839
   67    HA   ILE   7           HA       ILE   7  -4.883  -9.258  -4.690
   68    HB   ILE   7           HB       ILE   7  -3.000  -7.700  -3.597
   69   HG12  ILE   7          2HG1      ILE   7  -3.049 -10.608  -4.297
   70   HG13  ILE   7          1HG1      ILE   7  -2.244  -9.273  -5.118
   71   HG21  ILE   7          1HG2      ILE   7  -2.067  -8.744  -1.584
   72   HG22  ILE   7          2HG2      ILE   7  -3.337  -9.959  -1.597
   73   HG23  ILE   7          31HG      ILE   7  -3.734  -8.269  -1.279
   74   HD11  ILE   7          3HD1      ILE   7  -0.489 -10.499  -4.102
   75   HD12  ILE   7          1HD1      ILE   7  -1.390 -10.704  -2.602
   76   HD13  ILE   7          2HD1      ILE   7  -0.746  -9.120  -3.034
   77    HA   PRO   8           HA       PRO   8  -7.640 -11.605  -2.028
   78    HB2  PRO   8           2HB      PRO   8  -5.736 -13.787  -2.755
   79    HB3  PRO   8           1HB      PRO   8  -7.507 -13.760  -2.841
   80    HG2  PRO   8           2HG      PRO   8  -5.883 -13.474  -4.999
   81    HG3  PRO   8           1HG      PRO   8  -7.521 -12.812  -4.899
   82    HD2  PRO   8           2HD      PRO   8  -4.960 -11.407  -4.922
   83    HD3  PRO   8           1HD      PRO   8  -6.594 -10.749  -5.133
   84    H    LYS   9           H        LYS   9  -6.987 -10.658  -0.042
   85    HA   LYS   9           HA       LYS   9  -4.865 -10.511   1.453
   86    HB2  LYS   9           2HB      LYS   9  -7.380 -11.890   2.412
   87    HB3  LYS   9           1HB      LYS   9  -6.131 -11.234   3.471
   88    HG2  LYS   9           2HG      LYS   9  -6.997  -9.166   3.275
   89    HG3  LYS   9           1HG      LYS   9  -6.867  -9.246   1.517
   90    HD2  LYS   9           2HD      LYS   9  -9.015 -10.425   1.389
   91    HD3  LYS   9           1HD      LYS   9  -9.142 -10.414   3.148
   92    HE2  LYS   9           2HE      LYS   9  -8.662  -7.746   2.495
   93    HE3  LYS   9           1HE      LYS   9  -9.769  -8.299   1.239
   94    HZ1  LYS   9           3HZ      LYS   9 -11.017  -7.509   3.110
   95    HZ2  LYS   9           1HZ      LYS   9 -10.168  -8.525   4.172
   96    HZ3  LYS   9           2HZ      LYS   9 -11.205  -9.194   3.004
   97    H    SER  10           H        SER  10  -6.359 -13.660   0.799
   98    HA   SER  10           HA       SER  10  -4.556 -15.186   2.378
   99    HB2  SER  10           2HB      SER  10  -6.575 -16.263   1.834
  100    HB3  SER  10           1HB      SER  10  -6.445 -15.842   0.128
  101    HG   SER  10           HG       SER  10  -5.397 -17.952   1.512
  102    H    ARG  11           H        ARG  11  -3.337 -13.227   0.499
  103    HA   ARG  11           HA       ARG  11  -1.516 -15.100  -0.887
  104    HB2  ARG  11           2HB      ARG  11  -2.884 -12.646  -1.912
  105    HB3  ARG  11           1HB      ARG  11  -1.275 -13.031  -2.511
  106    HG2  ARG  11           2HG      ARG  11  -3.288 -15.241  -2.408
  107    HG3  ARG  11           1HG      ARG  11  -3.490 -14.020  -3.659
  108    HD2  ARG  11           2HD      ARG  11  -0.759 -14.645  -3.753
  109    HD3  ARG  11           1HD      ARG  11  -1.553 -16.193  -3.495
  110    HE   ARG  11           HE       ARG  11  -2.436 -16.036  -5.635
  111   HH11  ARG  11          1HH2      ARG  11  -1.258 -12.972  -4.538
  112   HH12  ARG  11          2HH2      ARG  11  -1.477 -12.185  -6.066
  113   HH21  ARG  11          1HH1      ARG  11  -2.738 -15.005  -7.641
  114   HH22  ARG  11          2HH1      ARG  11  -2.319 -13.334  -7.820
  115    H    CYS  12           H        CYS  12  -1.974 -12.220   1.005
  116    HA   CYS  12           HA       CYS  12   0.736 -11.273   0.789
  117    HB2  CYS  12           2HB      CYS  12  -1.259  -9.828   1.338
  118    HB3  CYS  12           1HB      CYS  12  -1.300 -10.600   2.922
  119    H    THR  13           H        THR  13   2.228 -12.745   1.441
  120    HA   THR  13           HA       THR  13   1.894 -13.966   4.109
  121    HB   THR  13           HB       THR  13   3.222 -15.734   3.409
  122    HG1  THR  13           1HG      THR  13   4.879 -15.504   2.077
  123   HG21  THR  13          31HG      THR  13   2.395 -15.049   0.634
  124   HG22  THR  13          1HG2      THR  13   1.120 -15.120   1.851
  125   HG23  THR  13          2HG2      THR  13   2.134 -16.532   1.552
  126    H    ALA  14           H        ALA  14   3.606 -13.898   5.619
  127    HA   ALA  14           HA       ALA  14   4.890 -11.464   5.969
  128    HB1  ALA  14           1HB      ALA  14   6.197 -13.964   6.976
  129    HB2  ALA  14           2HB      ALA  14   4.593 -13.537   7.573
  130    HB3  ALA  14           3HB      ALA  14   5.943 -12.425   7.799
  131    H    PHE  15           H        PHE  15   5.544 -13.832   3.688
  132    HA   PHE  15           HA       PHE  15   8.388 -13.202   3.441
  133    HB2  PHE  15           2HB      PHE  15   8.425 -15.343   2.764
  134    HB3  PHE  15           1HB      PHE  15   6.666 -15.405   2.707
  135    HD1  PHE  15           1HD      PHE  15   9.428 -13.749   0.765
  136    HD2  PHE  15           2HD      PHE  15   5.768 -15.993   0.643
  137    HE1  PHE  15           1HE      PHE  15   9.521 -13.763  -1.712
  138    HE2  PHE  15           2HE      PHE  15   5.860 -16.006  -1.836
  139    HZ   PHE  15           HZ       PHE  15   7.736 -14.892  -3.014
  140    H    GLN  16           H        GLN  16   5.326 -12.692   1.767
  141    HA   GLN  16           HA       GLN  16   6.535 -11.389  -0.502
  142    HB2  GLN  16           2HB      GLN  16   4.097 -12.581   0.008
  143    HB3  GLN  16           1HB      GLN  16   3.696 -10.865   0.002
  144    HG2  GLN  16           2HG      GLN  16   3.520 -11.891  -2.252
  145    HG3  GLN  16           1HG      GLN  16   4.712 -10.597  -2.193
  146   HE21  GLN  16          1HE2      GLN  16   4.343 -14.135  -2.305
  147   HE22  GLN  16          2HE2      GLN  16   5.928 -14.447  -2.826
  148    H    CYS  17           H        CYS  17   5.045 -10.431   2.531
  149    HA   CYS  17           HA       CYS  17   4.978  -7.624   1.872
  150    HB2  CYS  17           2HB      CYS  17   3.566  -9.043   3.620
  151    HB3  CYS  17           1HB      CYS  17   4.879  -8.569   4.697
  152    H    LYS  18           H        LYS  18   7.583  -9.166   1.799
  153    HA   LYS  18           HA       LYS  18   9.134  -7.158   3.261
  154    HB2  LYS  18           2HB      LYS  18   9.072  -8.906   4.895
  155    HB3  LYS  18           1HB      LYS  18   9.412 -10.138   3.679
  156    HG2  LYS  18           2HG      LYS  18  11.647  -9.634   3.592
  157    HG3  LYS  18           1HG      LYS  18  11.377  -7.917   3.889
  158    HD2  LYS  18           2HD      LYS  18  10.854  -8.435   6.266
  159    HD3  LYS  18           1HD      LYS  18  11.227 -10.133   5.954
  160    HE2  LYS  18           2HE      LYS  18  13.216  -7.951   5.329
  161    HE3  LYS  18           1HE      LYS  18  13.114  -8.665   6.938
  162    HZ1  LYS  18           3HZ      LYS  18  14.595 -10.077   5.997
  163    HZ2  LYS  18           1HZ      LYS  18  14.000  -9.856   4.424
  164    HZ3  LYS  18           2HZ      LYS  18  13.170 -10.865   5.510
  165    H    HIS  19           H        HIS  19   9.012  -9.809   0.950
  166    HA   HIS  19           HA       HIS  19  11.632  -9.181  -0.134
  167    HB2  HIS  19           2HB      HIS  19   9.502 -11.099  -1.111
  168    HB3  HIS  19           1HB      HIS  19  11.154 -10.996  -1.719
  169    HD1  HIS  19           1HD      HIS  19  10.038 -10.873   1.920
  170    HD2  HIS  19           2HD      HIS  19  12.260 -13.309  -0.632
  171    HE1  HIS  19           1HE      HIS  19  11.071 -12.670   3.369
  172    HE2  HIS  19           2HE      HIS  19  12.433 -14.162   1.830
  173    H    SER  20           H        SER  20   8.234  -8.852  -1.089
  174    HA   SER  20           HA       SER  20   9.076  -7.254  -3.421
  175    HB2  SER  20           2HB      SER  20   7.276  -9.278  -3.329
  176    HB3  SER  20           1HB      SER  20   6.213  -7.903  -3.042
  177    HG   SER  20           HG       SER  20   7.261  -8.716  -5.330
  178    H    NLE  21           H        NLE  21   9.053  -5.114  -3.195
  179    HA   NLE  21           HA       NLE  21   7.959  -3.778  -0.946
  180    HB2  NLE  21           1HB      NLE  21   8.229  -1.861  -2.954
  181    HB3  NLE  21           2HB      NLE  21   9.444  -3.076  -3.352
  182    HG2  NLE  21           1HG      NLE  21   9.124  -1.977  -0.552
  183    HG3  NLE  21           2HG      NLE  21  10.170  -1.211  -1.746
  184    HD2  NLE  21           1HD      NLE  21  10.481  -4.148  -1.422
  185    HD3  NLE  21           2HD      NLE  21  11.029  -3.155  -0.072
  186    HE1  NLE  21           3HE      NLE  21  12.717  -2.185  -1.301
  187    HE2  NLE  21           1HE      NLE  21  11.807  -2.267  -2.809
  188    HE3  NLE  21           2HE      NLE  21  12.605  -3.709  -2.182
  189    H    LYS  22           H        LYS  22   6.810  -4.281  -4.241
  190    HA   LYS  22           HA       LYS  22   4.616  -2.560  -4.277
  191    HB2  LYS  22           2HB      LYS  22   3.676  -4.423  -5.853
  192    HB3  LYS  22           1HB      LYS  22   5.114  -3.520  -6.330
  193    HG2  LYS  22           2HG      LYS  22   6.486  -5.320  -6.100
  194    HG3  LYS  22           1HG      LYS  22   5.664  -5.879  -4.645
  195    HD2  LYS  22           2HD      LYS  22   5.176  -7.550  -6.230
  196    HD3  LYS  22           1HD      LYS  22   3.729  -6.540  -6.239
  197    HE2  LYS  22           2HE      LYS  22   4.372  -6.969  -8.539
  198    HE3  LYS  22           1HE      LYS  22   4.705  -5.275  -8.180
  199    HZ1  LYS  22           3HZ      LYS  22   6.760  -7.384  -7.883
  200    HZ2  LYS  22           1HZ      LYS  22   6.983  -5.704  -7.962
  201    HZ3  LYS  22           2HZ      LYS  22   6.515  -6.564  -9.350
  202    H    TYR  23           H        TYR  23   5.098  -4.768  -1.961
  203    HA   TYR  23           HA       TYR  23   2.258  -5.537  -1.783
  204    HB2  TYR  23           2HB      TYR  23   4.786  -6.751  -0.783
  205    HB3  TYR  23           1HB      TYR  23   3.337  -6.951   0.203
  206    HD1  TYR  23           2HD      TYR  23   3.905  -6.810  -3.503
  207    HD2  TYR  23           1HD      TYR  23   2.410  -9.067  -0.172
  208    HE1  TYR  23           2HE      TYR  23   3.080  -8.556  -5.057
  209    HE2  TYR  23           1HE      TYR  23   1.578 -10.810  -1.724
  210    HH   TYR  23           HH       TYR  23   2.296 -11.578  -4.178
  211    H    ARG  24           H        ARG  24   4.918  -4.122   0.109
  212    HA   ARG  24           HA       ARG  24   3.108  -3.350   2.251
  213    HB2  ARG  24           2HB      ARG  24   5.924  -2.356   1.952
  214    HB3  ARG  24           1HB      ARG  24   5.010  -2.667   3.426
  215    HG2  ARG  24           2HG      ARG  24   6.181  -4.618   3.478
  216    HG3  ARG  24           1HG      ARG  24   5.001  -5.149   2.282
  217    HD2  ARG  24           2HD      ARG  24   7.466  -5.493   1.674
  218    HD3  ARG  24           1HD      ARG  24   6.470  -4.685   0.469
  219    HE   ARG  24           HE       ARG  24   7.633  -2.690   0.893
  220   HH11  ARG  24          1HH2      ARG  24   8.488  -5.219   3.098
  221   HH12  ARG  24          2HH2      ARG  24   9.863  -4.382   3.738
  222   HH21  ARG  24          1HH1      ARG  24   9.431  -1.590   1.727
  223   HH22  ARG  24          2HH1      ARG  24  10.397  -2.327   2.961
  224    H    LEU  25           H        LEU  25   3.307  -2.240  -0.743
  225    HA   LEU  25           HA       LEU  25   2.763   0.532   0.090
  226    HB2  LEU  25           2HB      LEU  25   4.391  -0.050  -2.375
  227    HB3  LEU  25           1HB      LEU  25   4.166   1.489  -1.545
  228    HG   LEU  25           HG       LEU  25   5.502  -0.871  -0.213
  229   HD11  LEU  25          1HD1      LEU  25   6.691  -0.193  -2.329
  230   HD12  LEU  25          2HD1      LEU  25   7.644   0.052  -0.866
  231   HD13  LEU  25          3HD1      LEU  25   6.864   1.425  -1.651
  232   HD21  LEU  25          31HD      LEU  25   4.589   1.619   0.701
  233   HD22  LEU  25          1HD2      LEU  25   6.328   1.834   0.500
  234   HD23  LEU  25          2HD2      LEU  25   5.712   0.549   1.541
  235    H    SER  26           H        SER  26   1.378  -2.052  -1.228
  236    HA   SER  26           HA       SER  26  -0.453  -0.445  -2.785
  237    HB2  SER  26           2HB      SER  26   1.326  -2.471  -4.116
  238    HB3  SER  26           1HB      SER  26  -0.195  -1.919  -4.807
  239    HG   SER  26           HG       SER  26   2.004  -0.287  -4.046
  240    H    PHE  27           H        PHE  27   0.556  -3.845  -2.402
  241    HA   PHE  27           HA       PHE  27  -2.252  -4.621  -2.326
  242    HB2  PHE  27           2HB      PHE  27   0.249  -6.313  -2.183
  243    HB3  PHE  27           1HB      PHE  27  -1.395  -6.894  -2.409
  244    HD1  PHE  27           2HD      PHE  27  -2.699  -5.378  -4.319
  245    HD2  PHE  27           1HD      PHE  27   1.505  -6.233  -4.143
  246    HE1  PHE  27           2HE      PHE  27  -2.520  -4.987  -6.759
  247    HE2  PHE  27           1HE      PHE  27   1.684  -5.837  -6.585
  248    HZ   PHE  27           HZ       PHE  27  -0.327  -5.215  -7.892
  249    H    CYS  28           H        CYS  28   0.619  -5.151  -0.268
  250    HA   CYS  28           HA       CYS  28  -1.169  -5.679   1.981
  251    HB2  CYS  28           2HB      CYS  28   1.856  -5.767   1.918
  252    HB3  CYS  28           1HB      CYS  28   0.806  -6.399   3.186
  253    H    ARG  29           H        ARG  29  -1.182  -3.125   0.841
  254    HA   ARG  29           HA       ARG  29   0.432  -1.229   2.124
  255    HB2  ARG  29           2HB      ARG  29  -1.499   0.327   1.540
  256    HB3  ARG  29           1HB      ARG  29  -0.757  -0.552   0.201
  257    HG2  ARG  29           2HG      ARG  29  -2.711  -1.562  -0.273
  258    HG3  ARG  29           1HG      ARG  29  -2.836  -2.171   1.376
  259    HD2  ARG  29           2HD      ARG  29  -3.695   0.550   0.389
  260    HD3  ARG  29           1HD      ARG  29  -4.758  -0.761   0.894
  261    HE   ARG  29           HE       ARG  29  -2.926  -0.081   2.973
  262   HH11  ARG  29          1HH2      ARG  29  -5.787   0.958   1.327
  263   HH12  ARG  29          2HH2      ARG  29  -6.404   1.848   2.680
  264   HH21  ARG  29          1HH1      ARG  29  -3.723   1.076   4.743
  265   HH22  ARG  29          2HH1      ARG  29  -5.234   1.915   4.617
  266    H    LYS  30           H        LYS  30  -1.348  -3.346   3.723
  267    HA   LYS  30           HA       LYS  30  -1.926  -1.452   5.904
  268    HB2  LYS  30           2HB      LYS  30  -4.050  -2.680   6.356
  269    HB3  LYS  30           1HB      LYS  30  -4.070  -1.807   4.824
  270    HG2  LYS  30           2HG      LYS  30  -3.347  -3.961   3.704
  271    HG3  LYS  30           1HG      LYS  30  -3.629  -4.773   5.243
  272    HD2  LYS  30           2HD      LYS  30  -5.960  -3.399   4.985
  273    HD3  LYS  30           1HD      LYS  30  -5.578  -3.702   3.288
  274    HE2  LYS  30           2HE      LYS  30  -5.832  -5.765   5.494
  275    HE3  LYS  30           1HE      LYS  30  -6.885  -5.572   4.093
  276    HZ1  LYS  30           3HZ      LYS  30  -5.461  -6.651   2.781
  277    HZ2  LYS  30           1HZ      LYS  30  -4.758  -7.222   4.215
  278    HZ3  LYS  30           2HZ      LYS  30  -4.101  -5.867   3.430
  279    H    THR  31           H        THR  31  -1.702  -4.812   4.879
  280    HA   THR  31           HA       THR  31  -1.573  -6.136   7.290
  281    HB   THR  31           HB       THR  31   0.474  -7.043   5.390
  282    HG1  THR  31           1HG      THR  31  -2.229  -6.865   4.564
  283   HG21  THR  31          31HG      THR  31  -0.859  -9.115   5.567
  284   HG22  THR  31          1HG2      THR  31  -2.097  -8.233   6.462
  285   HG23  THR  31          2HG2      THR  31  -0.493  -8.449   7.160
  286    H    CYS  32           H        CYS  32   1.196  -4.822   5.474
  287    HA   CYS  32           HA       CYS  32   2.993  -5.158   7.707
  288    HB2  CYS  32           2HB      CYS  32   3.177  -4.027   4.942
  289    HB3  CYS  32           1HB      CYS  32   4.405  -3.575   6.123
  290    H    GLY  33           H        GLY  33   0.490  -3.445   7.858
  291    HA2  GLY  33           2HA      GLY  33  -0.158  -1.322   8.554
  292    HA3  GLY  33           1HA      GLY  33   1.145  -1.587   9.713
  293    H    THR  34           H        THR  34   1.293  -1.130   6.190
  294    HA   THR  34           HA       THR  34   3.339   0.925   6.595
  295    HB   THR  34           HB       THR  34   3.729  -0.860   4.941
  296    HG1  THR  34           1HG      THR  34   3.944   1.743   4.588
  297   HG21  THR  34          31HG      THR  34   2.209  -1.445   3.383
  298   HG22  THR  34          1HG2      THR  34   1.855   0.234   2.974
  299   HG23  THR  34          2HG2      THR  34   1.058  -0.524   4.353
  300    H    CYS  35           H        CYS  35   0.060   0.627   5.308
  301    HA   CYS  35           HA       CYS  35  -0.077   3.576   5.219
  302    HB2  CYS  35           2HB      CYS  35   0.132   2.561   2.908
  303    HB3  CYS  35           1HB      CYS  35  -1.423   1.783   3.190
  304    HN1  NH2  36           H2       NH2  36  -3.138   3.401   6.912
  305    HN2  NH2  36           H1       NH2  36  -1.779   4.319   6.473
  Start of MODEL    4
    1    HA   PFX   0           HA       PFX   0  -7.334  13.033  -6.796
    2    H1N  PFX   0           H1N      PFX   0  -7.876  12.906  -8.977
    3    H2N  PFX   0           H2N      PFX   0  -7.658  11.224  -9.065
    4    H3N  PFX   0           H3N      PFX   0  -6.311  12.260  -9.079
    5    H1B  PFX   0           1HB      PFX   0  -9.214  11.694  -6.555
    6    H2B  PFX   0           2HB      PFX   0  -8.007  10.691  -5.750
    7    HD1  PFX   0           HD1      PFX   0 -10.376  10.893  -8.442
    8    HD2  PFX   0           HD2      PFX   0  -6.786   8.919  -7.166
    9    HE1  PFX   0           HE1      PFX   0 -10.783   9.092 -10.090
   10    HE2  PFX   0           HE2      PFX   0  -7.192   7.114  -8.813
   11    HNH  PFX   0           HNH      PFX   0  -4.833  10.914  -8.418
   12    H11  PFX   0          1HNH      PFX   0  -4.299  13.570  -7.913
   13    H21  PFX   0          2HNH      PFX   0  -3.059  12.390  -8.331
   14    H12  PFX   0           1H2      PFX   0  -4.063  13.003  -5.535
   15    H22  PFX   0           2H2      PFX   0  -2.501  13.473  -6.205
   16    H14  PFX   0           1H4      PFX   0  -3.914  11.107  -4.157
   17    H24  PFX   0           2H4      PFX   0  -2.452  12.046  -3.859
   18    H15  PFX   0           1H5      PFX   0  -1.181  10.185  -3.552
   19    H25  PFX   0           2H5      PFX   0  -1.954   9.329  -4.887
   20    H17  PFX   0           1H7      PFX   0  -3.662   9.319  -1.105
   21    H27  PFX   0           2H7      PFX   0  -3.353  10.862  -1.900
   22    H    ARG   1           H        ARG   1  -1.309   8.101  -1.996
   23    HA   ARG   1           HA       ARG   1   0.773   8.867  -0.277
   24    HB2  ARG   1           2HB      ARG   1  -1.578   8.851   1.131
   25    HB3  ARG   1           1HB      ARG   1  -0.995   7.210   1.399
   26    HG2  ARG   1           2HG      ARG   1   0.795   9.622   1.762
   27    HG3  ARG   1           1HG      ARG   1  -0.206   8.993   3.069
   28    HD2  ARG   1           2HD      ARG   1   0.881   6.694   2.447
   29    HD3  ARG   1           1HD      ARG   1   2.112   7.683   1.673
   30    HE   ARG   1           HE       ARG   1   2.592   8.662   3.845
   31   HH11  ARG   1          1HH2      ARG   1   0.477   5.907   3.816
   32   HH12  ARG   1          2HH2      ARG   1   0.753   5.514   5.477
   33   HH21  ARG   1          1HH1      ARG   1   2.944   8.142   6.021
   34   HH22  ARG   1          2HH1      ARG   1   2.142   6.777   6.724
   35    H    SER   2           H        SER   2  -1.435   6.067  -0.182
   36    HA   SER   2           HA       SER   2  -0.399   4.259  -1.834
   37    HB2  SER   2           2HB      SER   2   1.399   3.122  -0.278
   38    HB3  SER   2           1HB      SER   2   1.859   4.441  -1.350
   39    HG   SER   2           HG       SER   2   1.820   5.832   0.354
   40    H    CYS   3           H        CYS   3  -2.753   4.324  -0.697
   41    HA   CYS   3           HA       CYS   3  -2.781   1.963   1.070
   42    HB2  CYS   3           2HB      CYS   3  -4.744   4.205   1.450
   43    HB3  CYS   3           1HB      CYS   3  -4.304   2.916   2.569
   44    H    ILE   4           H        ILE   4  -3.250   0.841  -0.942
   45    HA   ILE   4           HA       ILE   4  -6.058   0.498  -1.342
   46    HB   ILE   4           HB       ILE   4  -5.745   0.974  -3.913
   47   HG12  ILE   4          2HG1      ILE   4  -3.708   2.807  -2.607
   48   HG13  ILE   4          1HG1      ILE   4  -3.368   1.539  -3.787
   49   HG21  ILE   4          1HG2      ILE   4  -5.972   3.479  -2.281
   50   HG22  ILE   4          2HG2      ILE   4  -7.167   2.207  -2.031
   51   HG23  ILE   4          31HG      ILE   4  -6.967   2.926  -3.626
   52   HD11  ILE   4          3HD1      ILE   4  -3.497   3.315  -5.243
   53   HD12  ILE   4          1HD1      ILE   4  -4.576   4.232  -4.194
   54   HD13  ILE   4          2HD1      ILE   4  -5.213   2.915  -5.180
   55    H    ASP   5           H        ASP   5  -6.208  -1.619  -1.538
   56    HA   ASP   5           HA       ASP   5  -4.057  -3.102  -2.922
   57    HB2  ASP   5           2HB      ASP   5  -4.609  -4.994  -1.573
   58    HB3  ASP   5           1HB      ASP   5  -4.510  -3.611  -0.487
   59    H    THR   6           H        THR   6  -4.854  -5.178  -3.964
   60    HA   THR   6           HA       THR   6  -7.572  -4.979  -5.042
   61    HB   THR   6           HB       THR   6  -6.288  -3.722  -6.659
   62    HG1  THR   6           1HG      THR   6  -7.071  -4.801  -8.297
   63   HG21  THR   6          31HG      THR   6  -4.521  -5.998  -7.359
   64   HG22  THR   6          1HG2      THR   6  -4.147  -5.164  -5.851
   65   HG23  THR   6          2HG2      THR   6  -4.187  -4.267  -7.369
   66    H    ILE   7           H        ILE   7  -5.446  -6.799  -3.496
   67    HA   ILE   7           HA       ILE   7  -6.455  -9.283  -4.729
   68    HB   ILE   7           HB       ILE   7  -4.224 -10.331  -4.194
   69   HG12  ILE   7          2HG1      ILE   7  -2.805  -7.788  -4.344
   70   HG13  ILE   7          1HG1      ILE   7  -3.793  -7.904  -2.887
   71   HG21  ILE   7          1HG2      ILE   7  -3.158  -8.632  -6.104
   72   HG22  ILE   7          2HG2      ILE   7  -4.898  -8.445  -6.330
   73   HG23  ILE   7          31HG      ILE   7  -4.161 -10.045  -6.436
   74   HD11  ILE   7          3HD1      ILE   7  -2.086 -10.236  -3.712
   75   HD12  ILE   7          1HD1      ILE   7  -2.651  -9.786  -2.103
   76   HD13  ILE   7          2HD1      ILE   7  -1.350  -8.875  -2.867
   77    HA   PRO   8           HA       PRO   8  -7.575 -10.329  -0.614
   78    HB2  PRO   8           2HB      PRO   8  -7.536 -13.061  -0.769
   79    HB3  PRO   8           1HB      PRO   8  -8.801 -12.059  -1.506
   80    HG2  PRO   8           2HG      PRO   8  -6.442 -13.357  -2.765
   81    HG3  PRO   8           1HG      PRO   8  -8.091 -13.165  -3.383
   82    HD2  PRO   8           2HD      PRO   8  -6.001 -11.578  -4.176
   83    HD3  PRO   8           1HD      PRO   8  -7.690 -11.033  -4.176
   84    H    LYS   9           H        LYS   9  -6.609 -10.669   1.332
   85    HA   LYS   9           HA       LYS   9  -3.896 -10.617   1.707
   86    HB2  LYS   9           2HB      LYS   9  -5.510 -12.166   3.685
   87    HB3  LYS   9           1HB      LYS   9  -4.306 -10.906   3.954
   88    HG2  LYS   9           2HG      LYS   9  -5.982  -9.290   2.872
   89    HG3  LYS   9           1HG      LYS   9  -7.173 -10.580   3.050
   90    HD2  LYS   9           2HD      LYS   9  -5.656 -10.174   5.505
   91    HD3  LYS   9           1HD      LYS   9  -6.482  -8.703   4.996
   92    HE2  LYS   9           2HE      LYS   9  -8.602  -9.929   4.825
   93    HE3  LYS   9           1HE      LYS   9  -7.788 -11.425   5.282
   94    HZ1  LYS   9           3HZ      LYS   9  -8.734  -9.305   6.936
   95    HZ2  LYS   9           1HZ      LYS   9  -7.091  -9.620   7.221
   96    HZ3  LYS   9           2HZ      LYS   9  -8.233 -10.871   7.368
   97    H    SER  10           H        SER  10  -5.767 -13.283   0.671
   98    HA   SER  10           HA       SER  10  -4.317 -15.464   1.657
   99    HB2  SER  10           2HB      SER  10  -5.819 -15.091  -0.936
  100    HB3  SER  10           1HB      SER  10  -5.144 -16.634  -0.424
  101    HG   SER  10           HG       SER  10  -7.273 -15.155   0.612
  102    H    ARG  11           H        ARG  11  -3.016 -12.968   0.057
  103    HA   ARG  11           HA       ARG  11  -0.934 -14.667  -1.178
  104    HB2  ARG  11           2HB      ARG  11  -2.283 -12.207  -2.253
  105    HB3  ARG  11           1HB      ARG  11  -0.642 -12.616  -2.751
  106    HG2  ARG  11           2HG      ARG  11  -1.402 -14.215  -4.140
  107    HG3  ARG  11           1HG      ARG  11  -2.318 -14.972  -2.837
  108    HD2  ARG  11           2HD      ARG  11  -4.187 -13.476  -3.201
  109    HD3  ARG  11           1HD      ARG  11  -3.263 -12.539  -4.373
  110    HE   ARG  11           HE       ARG  11  -3.680 -14.196  -5.962
  111   HH11  ARG  11          1HH2      ARG  11  -4.500 -15.251  -2.771
  112   HH12  ARG  11          2HH2      ARG  11  -5.314 -16.683  -3.303
  113   HH21  ARG  11          1HH1      ARG  11  -4.740 -16.077  -6.670
  114   HH22  ARG  11          2HH1      ARG  11  -5.445 -17.154  -5.513
  115    H    CYS  12           H        CYS  12  -1.575 -12.673   1.310
  116    HA   CYS  12           HA       CYS  12   0.994 -11.238   1.212
  117    HB2  CYS  12           2HB      CYS  12  -1.588 -10.831   2.606
  118    HB3  CYS  12           1HB      CYS  12  -0.142 -10.414   3.525
  119    H    THR  13           H        THR  13   2.602 -12.559   1.847
  120    HA   THR  13           HA       THR  13   2.213 -14.099   4.344
  121    HB   THR  13           HB       THR  13   3.556 -15.806   3.510
  122    HG1  THR  13           1HG      THR  13   5.347 -14.796   2.853
  123   HG21  THR  13          31HG      THR  13   2.763 -15.104   0.776
  124   HG22  THR  13          1HG2      THR  13   1.453 -14.944   1.945
  125   HG23  THR  13          2HG2      THR  13   2.289 -16.486   1.763
  126    H    ALA  14           H        ALA  14   4.205 -14.406   5.634
  127    HA   ALA  14           HA       ALA  14   5.450 -11.912   6.191
  128    HB1  ALA  14           1HB      ALA  14   5.055 -14.099   7.668
  129    HB2  ALA  14           2HB      ALA  14   6.362 -12.967   8.019
  130    HB3  ALA  14           3HB      ALA  14   6.697 -14.453   7.129
  131    H    PHE  15           H        PHE  15   5.843 -13.573   3.532
  132    HA   PHE  15           HA       PHE  15   8.770 -13.165   3.412
  133    HB2  PHE  15           2HB      PHE  15   8.929 -15.288   2.710
  134    HB3  PHE  15           1HB      PHE  15   7.179 -15.469   2.755
  135    HD1  PHE  15           2HD      PHE  15   9.936 -14.078   0.644
  136    HD2  PHE  15           1HD      PHE  15   5.972 -15.726   0.749
  137    HE1  PHE  15           2HE      PHE  15   9.889 -14.120  -1.836
  138    HE2  PHE  15           1HE      PHE  15   5.925 -15.769  -1.731
  139    HZ   PHE  15           HZ       PHE  15   7.884 -14.965  -3.023
  140    H    GLN  16           H        GLN  16   5.666 -12.451   2.056
  141    HA   GLN  16           HA       GLN  16   6.767 -11.313  -0.386
  142    HB2  GLN  16           2HB      GLN  16   4.027 -11.740   0.732
  143    HB3  GLN  16           1HB      GLN  16   4.253 -10.517  -0.520
  144    HG2  GLN  16           2HG      GLN  16   5.389 -13.287  -0.851
  145    HG3  GLN  16           1HG      GLN  16   3.711 -12.945  -1.269
  146   HE21  GLN  16          1HE2      GLN  16   6.455 -13.378  -2.855
  147   HE22  GLN  16          2HE2      GLN  16   6.357 -12.170  -4.044
  148    H    CYS  17           H        CYS  17   5.146 -10.137   2.558
  149    HA   CYS  17           HA       CYS  17   5.174  -7.400   1.917
  150    HB2  CYS  17           2HB      CYS  17   4.216  -8.896   3.993
  151    HB3  CYS  17           1HB      CYS  17   5.562  -8.052   4.760
  152    H    LYS  18           H        LYS  18   7.791  -9.362   2.172
  153    HA   LYS  18           HA       LYS  18   9.518  -7.127   3.048
  154    HB2  LYS  18           2HB      LYS  18   9.494  -8.935   4.726
  155    HB3  LYS  18           1HB      LYS  18  10.000 -10.083   3.486
  156    HG2  LYS  18           2HG      LYS  18  12.033  -8.653   3.091
  157    HG3  LYS  18           1HG      LYS  18  11.554  -7.678   4.481
  158    HD2  LYS  18           2HD      LYS  18  12.368 -10.587   4.435
  159    HD3  LYS  18           1HD      LYS  18  13.091  -9.267   5.356
  160    HE2  LYS  18           2HE      LYS  18  10.806  -9.044   6.511
  161    HE3  LYS  18           1HE      LYS  18  10.427 -10.616   5.809
  162    HZ1  LYS  18           3HZ      LYS  18  12.220  -9.944   7.972
  163    HZ2  LYS  18           1HZ      LYS  18  12.856 -11.051   6.855
  164    HZ3  LYS  18           2HZ      LYS  18  11.395 -11.395   7.651
  165    H    HIS  19           H        HIS  19   9.149  -9.956   0.967
  166    HA   HIS  19           HA       HIS  19  11.577  -9.360  -0.513
  167    HB2  HIS  19           2HB      HIS  19   9.398 -11.406  -0.998
  168    HB3  HIS  19           1HB      HIS  19  10.920 -11.307  -1.884
  169    HD1  HIS  19           1HD      HIS  19  10.288 -11.007   1.865
  170    HD2  HIS  19           2HD      HIS  19  12.425 -13.376  -0.819
  171    HE1  HIS  19           1HE      HIS  19  11.669 -12.604   3.262
  172    HE2  HIS  19           2HE      HIS  19  12.980 -14.054   1.641
  173    H    SER  20           H        SER  20   8.069  -9.304  -1.097
  174    HA   SER  20           HA       SER  20   8.469  -7.985  -3.673
  175    HB2  SER  20           2HB      SER  20   6.012  -8.146  -3.858
  176    HB3  SER  20           1HB      SER  20   6.740  -9.710  -3.507
  177    HG   SER  20           HG       SER  20   5.401  -7.940  -1.745
  178    H    NLE  21           H        NLE  21   8.713  -5.852  -3.758
  179    HA   NLE  21           HA       NLE  21   8.184  -4.142  -1.534
  180    HB2  NLE  21           1HB      NLE  21   8.446  -2.857  -4.164
  181    HB3  NLE  21           2HB      NLE  21   9.757  -3.970  -3.768
  182    HG2  NLE  21           1HG      NLE  21   8.828  -2.037  -1.673
  183    HG3  NLE  21           2HG      NLE  21   9.848  -1.437  -2.981
  184    HD2  NLE  21           1HD      NLE  21  10.747  -3.975  -1.752
  185    HD3  NLE  21           2HD      NLE  21  10.813  -2.567  -0.690
  186    HE1  NLE  21           3HE      NLE  21  12.895  -3.026  -2.126
  187    HE2  NLE  21           1HE      NLE  21  12.248  -1.388  -2.182
  188    HE3  NLE  21           2HE      NLE  21  11.921  -2.509  -3.504
  189    H    LYS  22           H        LYS  22   6.468  -4.896  -4.516
  190    HA   LYS  22           HA       LYS  22   4.527  -2.820  -4.282
  191    HB2  LYS  22           2HB      LYS  22   3.636  -5.231  -5.693
  192    HB3  LYS  22           1HB      LYS  22   3.782  -3.575  -6.274
  193    HG2  LYS  22           2HG      LYS  22   5.432  -4.569  -7.547
  194    HG3  LYS  22           1HG      LYS  22   6.388  -4.125  -6.136
  195    HD2  LYS  22           2HD      LYS  22   6.952  -6.311  -5.993
  196    HD3  LYS  22           1HD      LYS  22   5.297  -6.604  -5.452
  197    HE2  LYS  22           2HE      LYS  22   5.786  -8.061  -7.345
  198    HE3  LYS  22           1HE      LYS  22   4.611  -6.844  -7.844
  199    HZ1  LYS  22           3HZ      LYS  22   6.832  -7.364  -9.196
  200    HZ2  LYS  22           1HZ      LYS  22   7.409  -6.136  -8.177
  201    HZ3  LYS  22           2HZ      LYS  22   6.080  -5.840  -9.195
  202    H    TYR  23           H        TYR  23   4.880  -4.188  -1.818
  203    HA   TYR  23           HA       TYR  23   2.166  -5.308  -1.465
  204    HB2  TYR  23           2HB      TYR  23   4.807  -6.344  -0.527
  205    HB3  TYR  23           1HB      TYR  23   3.395  -6.573   0.506
  206    HD1  TYR  23           1HD      TYR  23   4.385  -6.890  -3.102
  207    HD2  TYR  23           2HD      TYR  23   2.065  -8.453   0.157
  208    HE1  TYR  23           1HE      TYR  23   3.634  -8.769  -4.537
  209    HE2  TYR  23           2HE      TYR  23   1.314 -10.331  -1.278
  210    HH   TYR  23           HH       TYR  23   2.369 -10.580  -4.679
  211    H    ARG  24           H        ARG  24   4.931  -3.841   0.256
  212    HA   ARG  24           HA       ARG  24   3.271  -2.966   2.445
  213    HB2  ARG  24           2HB      ARG  24   6.154  -2.543   1.685
  214    HB3  ARG  24           1HB      ARG  24   5.421  -1.671   3.030
  215    HG2  ARG  24           2HG      ARG  24   4.631  -3.991   3.852
  216    HG3  ARG  24           1HG      ARG  24   5.816  -4.644   2.720
  217    HD2  ARG  24           2HD      ARG  24   6.236  -3.268   5.290
  218    HD3  ARG  24           1HD      ARG  24   7.278  -4.405   4.440
  219    HE   ARG  24           HE       ARG  24   7.452  -1.548   4.343
  220   HH11  ARG  24          1HH2      ARG  24   7.840  -4.459   2.511
  221   HH12  ARG  24          2HH2      ARG  24   9.022  -3.788   1.437
  222   HH21  ARG  24          1HH1      ARG  24   9.003  -0.664   2.937
  223   HH22  ARG  24          2HH1      ARG  24   9.683  -1.643   1.681
  224    H    LEU  25           H        LEU  25   2.919  -2.049  -0.473
  225    HA   LEU  25           HA       LEU  25   1.993   0.566   0.110
  226    HB2  LEU  25           2HB      LEU  25   3.575   1.745  -1.502
  227    HB3  LEU  25           1HB      LEU  25   4.243   1.319   0.073
  228    HG   LEU  25           HG       LEU  25   4.674  -0.945  -1.529
  229   HD11  LEU  25          1HD1      LEU  25   5.655   1.494  -3.016
  230   HD12  LEU  25          2HD1      LEU  25   4.135   0.704  -3.435
  231   HD13  LEU  25          3HD1      LEU  25   5.653  -0.187  -3.553
  232   HD21  LEU  25          31HD      LEU  25   6.123   0.142   0.256
  233   HD22  LEU  25          1HD2      LEU  25   6.646   1.289  -0.977
  234   HD23  LEU  25          2HD2      LEU  25   6.998  -0.429  -1.165
  235    H    SER  26           H        SER  26   1.063  -1.856  -1.129
  236    HA   SER  26           HA       SER  26  -0.075  -0.711  -3.522
  237    HB2  SER  26           2HB      SER  26   2.199  -2.525  -3.690
  238    HB3  SER  26           1HB      SER  26   0.786  -3.154  -4.533
  239    HG   SER  26           HG       SER  26   1.299  -1.779  -6.033
  240    H    PHE  27           H        PHE  27   0.555  -4.003  -2.331
  241    HA   PHE  27           HA       PHE  27  -2.346  -4.510  -2.385
  242    HB2  PHE  27           2HB      PHE  27  -0.285  -6.633  -1.900
  243    HB3  PHE  27           1HB      PHE  27  -1.873  -6.767  -2.648
  244    HD1  PHE  27           2HD      PHE  27  -1.895  -4.632  -4.629
  245    HD2  PHE  27           1HD      PHE  27   1.294  -7.280  -3.504
  246    HE1  PHE  27           2HE      PHE  27  -0.868  -4.347  -6.868
  247    HE2  PHE  27           1HE      PHE  27   2.322  -6.995  -5.741
  248    HZ   PHE  27           HZ       PHE  27   1.240  -5.529  -7.425
  249    H    CYS  28           H        CYS  28   0.474  -5.274  -0.337
  250    HA   CYS  28           HA       CYS  28  -1.276  -5.643   1.967
  251    HB2  CYS  28           2HB      CYS  28   1.250  -6.656   1.162
  252    HB3  CYS  28           1HB      CYS  28   1.501  -5.764   2.657
  253    H    ARG  29           H        ARG  29  -1.663  -3.151   1.317
  254    HA   ARG  29           HA       ARG  29   0.247  -1.457   2.736
  255    HB2  ARG  29           2HB      ARG  29  -1.778   0.210   1.923
  256    HB3  ARG  29           1HB      ARG  29  -0.304  -0.109   1.020
  257    HG2  ARG  29           2HG      ARG  29  -2.146  -0.478  -0.485
  258    HG3  ARG  29           1HG      ARG  29  -1.496  -2.060  -0.066
  259    HD2  ARG  29           2HD      ARG  29  -4.126  -1.471   0.063
  260    HD3  ARG  29           1HD      ARG  29  -3.361  -2.663   1.103
  261    HE   ARG  29           HE       ARG  29  -3.267  -0.962   2.847
  262   HH11  ARG  29          1HH2      ARG  29  -5.212  -0.254   0.057
  263   HH12  ARG  29          2HH2      ARG  29  -6.151   0.955   0.863
  264   HH21  ARG  29          1HH1      ARG  29  -4.491   0.620   3.887
  265   HH22  ARG  29          2HH1      ARG  29  -5.745   1.449   3.027
  266    H    LYS  30           H        LYS  30  -1.438  -3.404   4.122
  267    HA   LYS  30           HA       LYS  30  -2.481  -1.609   6.163
  268    HB2  LYS  30           2HB      LYS  30  -4.522  -3.462   6.069
  269    HB3  LYS  30           1HB      LYS  30  -4.617  -1.809   5.463
  270    HG2  LYS  30           2HG      LYS  30  -5.335  -3.221   3.671
  271    HG3  LYS  30           1HG      LYS  30  -3.706  -2.700   3.258
  272    HD2  LYS  30           2HD      LYS  30  -2.906  -4.812   3.339
  273    HD3  LYS  30           1HD      LYS  30  -3.709  -5.130   4.878
  274    HE2  LYS  30           2HE      LYS  30  -5.872  -5.383   3.595
  275    HE3  LYS  30           1HE      LYS  30  -4.925  -5.304   2.109
  276    HZ1  LYS  30           3HZ      LYS  30  -5.198  -7.577   2.655
  277    HZ2  LYS  30           1HZ      LYS  30  -4.735  -7.328   4.266
  278    HZ3  LYS  30           2HZ      LYS  30  -3.587  -7.183   3.023
  279    H    THR  31           H        THR  31  -1.775  -4.857   5.032
  280    HA   THR  31           HA       THR  31  -1.957  -6.159   7.554
  281    HB   THR  31           HB       THR  31  -0.044  -7.209   5.550
  282    HG1  THR  31           1HG      THR  31  -2.810  -6.851   5.036
  283   HG21  THR  31          31HG      THR  31  -1.221  -9.271   6.026
  284   HG22  THR  31          1HG2      THR  31  -2.515  -8.390   6.837
  285   HG23  THR  31          2HG2      THR  31  -0.905  -8.449   7.554
  286    H    CYS  32           H        CYS  32   0.717  -4.756   5.690
  287    HA   CYS  32           HA       CYS  32   2.668  -5.330   7.738
  288    HB2  CYS  32           2HB      CYS  32   2.657  -4.192   5.036
  289    HB3  CYS  32           1HB      CYS  32   3.795  -3.405   6.130
  290    H    GLY  33           H        GLY  33   0.183  -3.180   7.560
  291    HA2  GLY  33           2HA      GLY  33  -0.377  -1.338   8.826
  292    HA3  GLY  33           1HA      GLY  33   1.065  -1.653   9.789
  293    H    THR  34           H        THR  34   1.146  -1.161   6.318
  294    HA   THR  34           HA       THR  34   3.026   1.012   6.645
  295    HB   THR  34           HB       THR  34   2.740  -0.869   4.730
  296    HG1  THR  34           1HG      THR  34   4.490   0.113   4.177
  297   HG21  THR  34          31HG      THR  34   0.601   0.295   3.984
  298   HG22  THR  34          1HG2      THR  34   1.812   0.045   2.724
  299   HG23  THR  34          2HG2      THR  34   1.620   1.636   3.462
  300    H    CYS  35           H        CYS  35  -0.343   0.783   6.524
  301    HA   CYS  35           HA       CYS  35  -0.579   3.679   6.364
  302    HB2  CYS  35           2HB      CYS  35  -0.729   2.966   4.001
  303    HB3  CYS  35           1HB      CYS  35  -2.068   1.899   4.420
  304    HN1  NH2  36           H2       NH2  36  -2.861   1.404   8.588
  305    HN2  NH2  36           H1       NH2  36  -1.296   1.038   8.045
  Start of MODEL    5
    1    HA   PFX   0           HA       PFX   0  -8.003  15.848   5.236
    2    H1N  PFX   0           H1N      PFX   0  -5.973  17.727   4.928
    3    H2N  PFX   0           H2N      PFX   0  -7.639  18.007   5.094
    4    H3N  PFX   0           H3N      PFX   0  -6.956  17.831   3.549
    5    H1B  PFX   0           1HB      PFX   0  -7.300  14.445   3.177
    6    H2B  PFX   0           2HB      PFX   0  -6.764  15.980   2.490
    7    HD1  PFX   0           HD1      PFX   0  -8.557  17.973   2.869
    8    HD2  PFX   0           HD2      PFX   0  -9.471  13.784   2.689
    9    HE1  PFX   0           HE1      PFX   0 -10.896  18.511   2.253
   10    HE2  PFX   0           HE2      PFX   0 -11.810  14.318   2.073
   11    HNH  PFX   0           HNH      PFX   0  -4.752  16.219   6.551
   12    H11  PFX   0          1HNH      PFX   0  -4.055  17.960   5.059
   13    H21  PFX   0          2HNH      PFX   0  -4.722  17.033   3.717
   14    H12  PFX   0           1H2      PFX   0  -2.207  16.430   5.293
   15    H22  PFX   0           2H2      PFX   0  -2.324  16.857   3.585
   16    H14  PFX   0           1H4      PFX   0  -0.908  14.644   3.958
   17    H24  PFX   0           2H4      PFX   0  -1.705  14.888   2.403
   18    H15  PFX   0           1H5      PFX   0  -1.717  12.420   4.145
   19    H25  PFX   0           2H5      PFX   0  -1.193  12.568   2.469
   20    H17  PFX   0           1H7      PFX   0  -5.047  11.754   3.444
   21    H27  PFX   0           2H7      PFX   0  -3.998  12.435   4.687
   22    H    ARG   1           H        ARG   1  -4.725   9.688   2.725
   23    HA   ARG   1           HA       ARG   1  -2.119   8.438   3.289
   24    HB2  ARG   1           2HB      ARG   1  -4.801   7.072   3.625
   25    HB3  ARG   1           1HB      ARG   1  -3.235   6.269   3.718
   26    HG2  ARG   1           2HG      ARG   1  -3.915   8.628   5.478
   27    HG3  ARG   1           1HG      ARG   1  -4.313   6.975   5.943
   28    HD2  ARG   1           2HD      ARG   1  -2.213   6.703   6.683
   29    HD3  ARG   1           1HD      ARG   1  -1.622   6.944   5.042
   30    HE   ARG   1           HE       ARG   1  -2.035   9.485   5.950
   31   HH11  ARG   1          1HH2      ARG   1  -0.359   6.701   7.134
   32   HH12  ARG   1          2HH2      ARG   1   0.847   7.614   7.977
   33   HH21  ARG   1          1HH1      ARG   1  -0.456  10.691   7.049
   34   HH22  ARG   1          2HH1      ARG   1   0.796   9.874   7.925
   35    H    SER   2           H        SER   2  -3.075   5.940   2.098
   36    HA   SER   2           HA       SER   2  -4.099   6.274  -0.495
   37    HB2  SER   2           2HB      SER   2  -1.546   7.316  -0.345
   38    HB3  SER   2           1HB      SER   2  -1.261   5.670  -0.906
   39    HG   SER   2           HG       SER   2  -1.670   6.954  -2.682
   40    H    CYS   3           H        CYS   3  -4.068   4.523   1.859
   41    HA   CYS   3           HA       CYS   3  -2.785   2.067   1.037
   42    HB2  CYS   3           2HB      CYS   3  -4.862   1.967   3.132
   43    HB3  CYS   3           1HB      CYS   3  -3.208   1.362   3.155
   44    H    ILE   4           H        ILE   4  -3.616   1.027  -0.660
   45    HA   ILE   4           HA       ILE   4  -6.408   0.198  -0.576
   46    HB   ILE   4           HB       ILE   4  -6.127   0.959  -3.237
   47   HG12  ILE   4          2HG1      ILE   4  -5.260   3.261  -1.459
   48   HG13  ILE   4          1HG1      ILE   4  -4.132   2.314  -2.431
   49   HG21  ILE   4          1HG2      ILE   4  -7.449   2.524  -0.999
   50   HG22  ILE   4          2HG2      ILE   4  -8.140   1.079  -1.739
   51   HG23  ILE   4          31HG      ILE   4  -7.901   2.537  -2.703
   52   HD11  ILE   4          3HD1      ILE   4  -4.748   4.271  -3.715
   53   HD12  ILE   4          1HD1      ILE   4  -6.463   3.965  -3.443
   54   HD13  ILE   4          2HD1      ILE   4  -5.522   2.871  -4.457
   55    H    ASP   5           H        ASP   5  -6.584  -1.864  -1.284
   56    HA   ASP   5           HA       ASP   5  -4.246  -3.006  -2.681
   57    HB2  ASP   5           2HB      ASP   5  -5.661  -3.891  -0.404
   58    HB3  ASP   5           1HB      ASP   5  -6.058  -5.015  -1.695
   59    H    THR   6           H        THR   6  -4.905  -5.068  -3.893
   60    HA   THR   6           HA       THR   6  -7.420  -4.794  -5.363
   61    HB   THR   6           HB       THR   6  -6.294  -4.962  -7.531
   62    HG1  THR   6           1HG      THR   6  -4.361  -5.743  -7.460
   63   HG21  THR   6          31HG      THR   6  -4.757  -2.726  -6.357
   64   HG22  THR   6          1HG2      THR   6  -6.488  -2.710  -6.021
   65   HG23  THR   6          2HG2      THR   6  -5.914  -2.723  -7.687
   66    H    ILE   7           H        ILE   7  -5.782  -6.565  -3.418
   67    HA   ILE   7           HA       ILE   7  -6.550  -9.086  -4.686
   68    HB   ILE   7           HB       ILE   7  -4.486  -9.796  -5.103
   69   HG12  ILE   7          2HG1      ILE   7  -4.351 -10.425  -2.645
   70   HG13  ILE   7          1HG1      ILE   7  -2.805 -10.127  -3.419
   71   HG21  ILE   7          1HG2      ILE   7  -2.614  -8.157  -5.009
   72   HG22  ILE   7          2HG2      ILE   7  -3.663  -7.066  -4.104
   73   HG23  ILE   7          31HG      ILE   7  -4.071  -7.507  -5.762
   74   HD11  ILE   7          3HD1      ILE   7  -4.178  -8.565  -1.299
   75   HD12  ILE   7          1HD1      ILE   7  -3.299  -7.634  -2.507
   76   HD13  ILE   7          2HD1      ILE   7  -2.466  -8.854  -1.552
   77    HA   PRO   8           HA       PRO   8  -7.768 -10.137  -0.609
   78    HB2  PRO   8           2HB      PRO   8  -7.465 -12.854  -0.640
   79    HB3  PRO   8           1HB      PRO   8  -8.758 -12.012  -1.515
   80    HG2  PRO   8           2HG      PRO   8  -6.206 -13.140  -2.536
   81    HG3  PRO   8           1HG      PRO   8  -7.811 -13.109  -3.286
   82    HD2  PRO   8           2HD      PRO   8  -5.780 -11.375  -3.966
   83    HD3  PRO   8           1HD      PRO   8  -7.505 -11.002  -4.163
   84    H    LYS   9           H        LYS   9  -6.913 -10.447   1.436
   85    HA   LYS   9           HA       LYS   9  -4.192 -10.126   1.884
   86    HB2  LYS   9           2HB      LYS   9  -5.733 -11.635   3.930
   87    HB3  LYS   9           1HB      LYS   9  -4.688 -10.229   4.117
   88    HG2  LYS   9           2HG      LYS   9  -6.663  -9.119   4.372
   89    HG3  LYS   9           1HG      LYS   9  -6.681  -9.154   2.609
   90    HD2  LYS   9           2HD      LYS   9  -8.031 -11.188   2.621
   91    HD3  LYS   9           1HD      LYS   9  -7.926 -11.279   4.378
   92    HE2  LYS   9           2HE      LYS   9  -8.971  -8.910   4.364
   93    HE3  LYS   9           1HE      LYS   9  -9.408  -9.266   2.693
   94    HZ1  LYS   9           3HZ      LYS   9 -10.022 -11.428   4.455
   95    HZ2  LYS   9           1HZ      LYS   9 -11.027 -10.616   3.355
   96    HZ3  LYS   9           2HZ      LYS   9 -10.808  -9.997   4.922
   97    H    SER  10           H        SER  10  -5.784 -12.873   0.776
   98    HA   SER  10           HA       SER  10  -4.185 -14.902   1.999
   99    HB2  SER  10           2HB      SER  10  -5.129 -16.361   0.232
  100    HB3  SER  10           1HB      SER  10  -6.373 -15.431   1.063
  101    HG   SER  10           HG       SER  10  -5.544 -13.919  -0.893
  102    H    ARG  11           H        ARG  11  -3.121 -12.490   0.172
  103    HA   ARG  11           HA       ARG  11  -1.105 -14.185  -1.169
  104    HB2  ARG  11           2HB      ARG  11  -2.892 -12.212  -2.320
  105    HB3  ARG  11           1HB      ARG  11  -1.205 -11.774  -2.589
  106    HG2  ARG  11           2HG      ARG  11  -2.264 -14.559  -3.112
  107    HG3  ARG  11           1HG      ARG  11  -2.242 -13.304  -4.351
  108    HD2  ARG  11           2HD      ARG  11   0.057 -13.304  -4.511
  109    HD3  ARG  11           1HD      ARG  11   0.280 -13.770  -2.827
  110    HE   ARG  11           HE       ARG  11   0.092 -16.021  -3.464
  111   HH11  ARG  11          1HH2      ARG  11  -0.677 -13.845  -6.042
  112   HH12  ARG  11          2HH2      ARG  11  -0.651 -15.068  -7.268
  113   HH21  ARG  11          1HH1      ARG  11   0.126 -17.632  -5.068
  114   HH22  ARG  11          2HH1      ARG  11  -0.198 -17.212  -6.717
  115    H    CYS  12           H        CYS  12  -1.662 -11.936   1.193
  116    HA   CYS  12           HA       CYS  12   1.007 -10.713   0.896
  117    HB2  CYS  12           2HB      CYS  12  -1.516  -9.844   2.261
  118    HB3  CYS  12           1HB      CYS  12   0.039  -9.231   2.827
  119    H    THR  13           H        THR  13   2.132 -12.557   1.667
  120    HA   THR  13           HA       THR  13   1.580 -13.504   4.367
  121    HB   THR  13           HB       THR  13   3.079 -15.247   3.912
  122    HG1  THR  13           1HG      THR  13   4.346 -14.713   1.744
  123   HG21  THR  13          31HG      THR  13   2.536 -14.952   1.056
  124   HG22  THR  13          1HG2      THR  13   1.116 -14.623   2.048
  125   HG23  THR  13          2HG2      THR  13   1.949 -16.170   2.189
  126    H    ALA  14           H        ALA  14   3.393 -13.674   5.927
  127    HA   ALA  14           HA       ALA  14   4.497 -11.131   6.479
  128    HB1  ALA  14           1HB      ALA  14   4.992 -12.047   8.479
  129    HB2  ALA  14           2HB      ALA  14   5.884 -13.378   7.743
  130    HB3  ALA  14           3HB      ALA  14   4.129 -13.471   7.898
  131    H    PHE  15           H        PHE  15   5.257 -12.794   3.931
  132    HA   PHE  15           HA       PHE  15   8.141 -12.166   4.095
  133    HB2  PHE  15           2HB      PHE  15   8.491 -14.384   3.844
  134    HB3  PHE  15           1HB      PHE  15   6.811 -14.687   3.410
  135    HD1  PHE  15           2HD      PHE  15  10.127 -13.648   2.104
  136    HD2  PHE  15           1HD      PHE  15   6.113 -14.813   1.115
  137    HE1  PHE  15           2HE      PHE  15  10.781 -13.887  -0.276
  138    HE2  PHE  15           1HE      PHE  15   6.768 -15.054  -1.263
  139    HZ   PHE  15           HZ       PHE  15   9.103 -14.593  -1.960
  140    H    GLN  16           H        GLN  16   5.337 -12.625   1.960
  141    HA   GLN  16           HA       GLN  16   6.428 -11.586  -0.396
  142    HB2  GLN  16           2HB      GLN  16   4.050 -12.669   0.267
  143    HB3  GLN  16           1HB      GLN  16   3.589 -10.968   0.185
  144    HG2  GLN  16           2HG      GLN  16   3.283 -11.872  -2.011
  145    HG3  GLN  16           1HG      GLN  16   4.733 -10.874  -2.073
  146   HE21  GLN  16          1HE2      GLN  16   6.672 -11.895  -2.708
  147   HE22  GLN  16          2HE2      GLN  16   6.825 -13.568  -2.948
  148    H    CYS  17           H        CYS  17   5.038  -9.972   2.404
  149    HA   CYS  17           HA       CYS  17   5.281  -7.361   1.092
  150    HB2  CYS  17           2HB      CYS  17   3.903  -6.506   2.777
  151    HB3  CYS  17           1HB      CYS  17   3.258  -8.126   2.509
  152    H    LYS  18           H        LYS  18   7.533  -9.183   2.236
  153    HA   LYS  18           HA       LYS  18   8.776  -7.079   3.905
  154    HB2  LYS  18           2HB      LYS  18   8.280  -9.397   4.951
  155    HB3  LYS  18           1HB      LYS  18   9.631  -9.962   3.965
  156    HG2  LYS  18           2HG      LYS  18  11.095  -8.264   4.973
  157    HG3  LYS  18           1HG      LYS  18   9.748  -7.663   5.939
  158    HD2  LYS  18           2HD      LYS  18   9.710  -9.545   7.309
  159    HD3  LYS  18           1HD      LYS  18  10.470 -10.571   6.093
  160    HE2  LYS  18           2HE      LYS  18  12.143  -8.304   6.950
  161    HE3  LYS  18           1HE      LYS  18  11.783  -9.454   8.237
  162    HZ1  LYS  18           3HZ      LYS  18  13.028 -11.025   7.286
  163    HZ2  LYS  18           1HZ      LYS  18  13.728  -9.757   6.405
  164    HZ3  LYS  18           2HZ      LYS  18  12.473 -10.675   5.720
  165    H    HIS  19           H        HIS  19   9.062  -9.164   1.143
  166    HA   HIS  19           HA       HIS  19  11.805  -8.188   0.652
  167    HB2  HIS  19           2HB      HIS  19  10.359 -10.462  -0.722
  168    HB3  HIS  19           1HB      HIS  19  12.073 -10.060  -0.844
  169    HD1  HIS  19           1HD      HIS  19   9.945 -10.245   2.305
  170    HD2  HIS  19           2HD      HIS  19  13.240 -12.140   0.591
  171    HE1  HIS  19           1HE      HIS  19  10.840 -11.844   4.052
  172    HE2  HIS  19           2HE      HIS  19  12.845 -13.012   3.020
  173    H    SER  20           H        SER  20   8.591  -8.507  -0.789
  174    HA   SER  20           HA       SER  20   9.441  -6.938  -3.117
  175    HB2  SER  20           2HB      SER  20   6.802  -8.288  -2.507
  176    HB3  SER  20           1HB      SER  20   7.215  -7.479  -4.016
  177    HG   SER  20           HG       SER  20   9.181  -9.119  -3.542
  178    H    NLE  21           H        NLE  21   9.000  -4.840  -3.341
  179    HA   NLE  21           HA       NLE  21   7.751  -3.394  -1.187
  180    HB2  NLE  21           1HB      NLE  21   9.624  -2.361  -2.265
  181    HB3  NLE  21           2HB      NLE  21   8.199  -1.409  -2.681
  182    HG2  NLE  21           1HG      NLE  21   8.441  -3.491  -4.618
  183    HG3  NLE  21           2HG      NLE  21  10.029  -2.745  -4.441
  184    HD2  NLE  21           1HD      NLE  21   7.515  -1.103  -4.764
  185    HD3  NLE  21           2HD      NLE  21   8.439  -1.675  -6.152
  186    HE1  NLE  21           3HE      NLE  21   9.265   0.264  -3.998
  187    HE2  NLE  21           1HE      NLE  21   9.364   0.449  -5.749
  188    HE3  NLE  21           2HE      NLE  21  10.484  -0.626  -4.911
  189    H    LYS  22           H        LYS  22   6.825  -4.446  -4.409
  190    HA   LYS  22           HA       LYS  22   4.519  -2.802  -4.688
  191    HB2  LYS  22           2HB      LYS  22   3.837  -4.748  -6.277
  192    HB3  LYS  22           1HB      LYS  22   5.236  -3.759  -6.694
  193    HG2  LYS  22           2HG      LYS  22   6.758  -5.420  -6.158
  194    HG3  LYS  22           1HG      LYS  22   5.692  -6.159  -4.969
  195    HD2  LYS  22           2HD      LYS  22   5.453  -7.733  -6.612
  196    HD3  LYS  22           1HD      LYS  22   4.237  -6.609  -7.205
  197    HE2  LYS  22           2HE      LYS  22   5.510  -6.919  -9.123
  198    HE3  LYS  22           1HE      LYS  22   6.297  -5.502  -8.431
  199    HZ1  LYS  22           3HZ      LYS  22   7.181  -8.260  -7.800
  200    HZ2  LYS  22           1HZ      LYS  22   8.018  -6.809  -7.557
  201    HZ3  LYS  22           2HZ      LYS  22   7.794  -7.382  -9.141
  202    H    TYR  23           H        TYR  23   5.170  -5.119  -2.444
  203    HA   TYR  23           HA       TYR  23   2.366  -6.008  -2.252
  204    HB2  TYR  23           2HB      TYR  23   4.977  -7.138  -1.352
  205    HB3  TYR  23           1HB      TYR  23   3.557  -7.466  -0.360
  206    HD1  TYR  23           2HD      TYR  23   5.027  -7.845  -3.743
  207    HD2  TYR  23           1HD      TYR  23   1.786  -8.914  -1.137
  208    HE1  TYR  23           2HE      TYR  23   4.307  -9.587  -5.354
  209    HE2  TYR  23           1HE      TYR  23   1.064 -10.655  -2.745
  210    HH   TYR  23           HH       TYR  23   2.452 -12.060  -4.671
  211    H    ARG  24           H        ARG  24   4.787  -4.026  -0.760
  212    HA   ARG  24           HA       ARG  24   3.313  -3.766   1.747
  213    HB2  ARG  24           2HB      ARG  24   5.878  -2.518   0.744
  214    HB3  ARG  24           1HB      ARG  24   5.180  -2.204   2.333
  215    HG2  ARG  24           2HG      ARG  24   5.260  -4.642   2.825
  216    HG3  ARG  24           1HG      ARG  24   6.035  -4.911   1.263
  217    HD2  ARG  24           2HD      ARG  24   7.447  -2.824   2.627
  218    HD3  ARG  24           1HD      ARG  24   7.266  -4.185   3.728
  219    HE   ARG  24           HE       ARG  24   8.515  -5.530   2.212
  220   HH11  ARG  24          1HH2      ARG  24   8.061  -2.258   1.177
  221   HH12  ARG  24          2HH2      ARG  24   9.326  -2.310  -0.004
  222   HH21  ARG  24          1HH1      ARG  24  10.175  -5.604   0.655
  223   HH22  ARG  24          2HH1      ARG  24  10.517  -4.203  -0.303
  224    H    LEU  25           H        LEU  25   3.551  -2.165  -1.305
  225    HA   LEU  25           HA       LEU  25   1.909   0.040  -0.216
  226    HB2  LEU  25           2HB      LEU  25   3.053   1.647  -1.527
  227    HB3  LEU  25           1HB      LEU  25   4.315   0.670  -0.790
  228    HG   LEU  25           HG       LEU  25   3.759  -0.726  -3.119
  229   HD11  LEU  25          1HD1      LEU  25   4.250   1.931  -4.264
  230   HD12  LEU  25          2HD1      LEU  25   2.633   1.771  -3.588
  231   HD13  LEU  25          3HD1      LEU  25   3.184   0.648  -4.828
  232   HD21  LEU  25          31HD      LEU  25   5.954   0.133  -3.849
  233   HD22  LEU  25          1HD2      LEU  25   5.973  -0.274  -2.134
  234   HD23  LEU  25          2HD2      LEU  25   5.858   1.412  -2.640
  235    H    SER  26           H        SER  26   1.201  -2.524  -1.596
  236    HA   SER  26           HA       SER  26  -0.632  -1.338  -3.499
  237    HB2  SER  26           2HB      SER  26   1.813  -2.525  -4.414
  238    HB3  SER  26           1HB      SER  26   0.447  -3.491  -4.965
  239    HG   SER  26           HG       SER  26   1.295  -1.152  -5.882
  240    H    PHE  27           H        PHE  27   0.747  -4.507  -2.541
  241    HA   PHE  27           HA       PHE  27  -1.994  -5.599  -2.567
  242    HB2  PHE  27           2HB      PHE  27   0.544  -7.188  -2.229
  243    HB3  PHE  27           1HB      PHE  27  -1.038  -7.753  -2.746
  244    HD1  PHE  27           1HD      PHE  27  -1.629  -5.358  -4.640
  245    HD2  PHE  27           2HD      PHE  27   1.779  -7.930  -4.160
  246    HE1  PHE  27           1HE      PHE  27  -1.004  -4.972  -7.001
  247    HE2  PHE  27           2HE      PHE  27   2.398  -7.545  -6.523
  248    HZ   PHE  27           HZ       PHE  27   1.012  -6.062  -7.945
  249    H    CYS  28           H        CYS  28   0.504  -4.687  -0.331
  250    HA   CYS  28           HA       CYS  28  -1.180  -5.771   1.834
  251    HB2  CYS  28           2HB      CYS  28   1.770  -5.594   2.261
  252    HB3  CYS  28           1HB      CYS  28   0.584  -6.669   2.989
  253    H    ARG  29           H        ARG  29  -1.621  -3.290   1.004
  254    HA   ARG  29           HA       ARG  29   0.003  -1.349   2.373
  255    HB2  ARG  29           2HB      ARG  29  -2.442  -0.137   1.769
  256    HB3  ARG  29           1HB      ARG  29  -0.969  -0.068   0.809
  257    HG2  ARG  29           2HG      ARG  29  -2.757  -0.838  -0.619
  258    HG3  ARG  29           1HG      ARG  29  -1.684  -2.200  -0.318
  259    HD2  ARG  29           2HD      ARG  29  -4.439  -2.151   0.104
  260    HD3  ARG  29           1HD      ARG  29  -3.326  -3.365   0.717
  261    HE   ARG  29           HE       ARG  29  -3.343  -2.277   2.816
  262   HH11  ARG  29          1HH2      ARG  29  -5.318  -0.763   0.420
  263   HH12  ARG  29          2HH2      ARG  29  -6.098   0.303   1.538
  264   HH21  ARG  29          1HH1      ARG  29  -4.338  -0.863   4.284
  265   HH22  ARG  29          2HH1      ARG  29  -5.549   0.243   3.728
  266    H    LYS  30           H        LYS  30  -0.885  -3.392   4.083
  267    HA   LYS  30           HA       LYS  30  -1.939  -1.882   6.248
  268    HB2  LYS  30           2HB      LYS  30  -4.015  -3.477   6.434
  269    HB3  LYS  30           1HB      LYS  30  -4.110  -2.025   5.446
  270    HG2  LYS  30           2HG      LYS  30  -4.605  -3.297   3.656
  271    HG3  LYS  30           1HG      LYS  30  -3.040  -4.093   3.796
  272    HD2  LYS  30           2HD      LYS  30  -3.984  -5.687   5.417
  273    HD3  LYS  30           1HD      LYS  30  -5.554  -4.897   5.279
  274    HE2  LYS  30           2HE      LYS  30  -5.924  -5.695   3.130
  275    HE3  LYS  30           1HE      LYS  30  -4.203  -5.842   2.777
  276    HZ1  LYS  30           3HZ      LYS  30  -5.299  -7.999   3.099
  277    HZ2  LYS  30           1HZ      LYS  30  -5.695  -7.557   4.688
  278    HZ3  LYS  30           2HZ      LYS  30  -4.065  -7.730   4.237
  279    H    THR  31           H        THR  31  -1.647  -5.132   4.855
  280    HA   THR  31           HA       THR  31  -1.508  -6.582   7.247
  281    HB   THR  31           HB       THR  31   0.223  -7.537   5.055
  282    HG1  THR  31           1HG      THR  31  -1.916  -6.261   4.388
  283   HG21  THR  31          31HG      THR  31  -0.737  -9.587   5.605
  284   HG22  THR  31          1HG2      THR  31  -2.255  -8.851   6.117
  285   HG23  THR  31          2HG2      THR  31  -0.829  -8.737   7.147
  286    H    CYS  32           H        CYS  32   1.242  -5.603   5.177
  287    HA   CYS  32           HA       CYS  32   3.212  -6.246   7.104
  288    HB2  CYS  32           2HB      CYS  32   3.164  -5.304   4.445
  289    HB3  CYS  32           1HB      CYS  32   4.083  -4.116   5.369
  290    H    GLY  33           H        GLY  33   0.854  -4.232   7.636
  291    HA2  GLY  33           2HA      GLY  33   0.502  -2.377   8.949
  292    HA3  GLY  33           1HA      GLY  33   2.010  -2.827   9.742
  293    H    THR  34           H        THR  34   1.781  -2.032   6.334
  294    HA   THR  34           HA       THR  34   3.809  -0.008   6.616
  295    HB   THR  34           HB       THR  34   3.715  -1.448   4.622
  296    HG1  THR  34           1HG      THR  34   4.047   1.115   4.698
  297   HG21  THR  34          31HG      THR  34   1.521  -0.092   3.300
  298   HG22  THR  34          1HG2      THR  34   0.964  -0.914   4.758
  299   HG23  THR  34          2HG2      THR  34   1.807  -1.822   3.501
  300    H    CYS  35           H        CYS  35   0.317  -0.066   6.216
  301    HA   CYS  35           HA       CYS  35   0.294   2.892   6.234
  302    HB2  CYS  35           2HB      CYS  35  -0.858   2.204   4.303
  303    HB3  CYS  35           1HB      CYS  35  -1.615   0.846   5.131
  304    HN1  NH2  36           H2       NH2  36  -2.077   3.049   8.948
  305    HN2  NH2  36           H1       NH2  36  -1.682   3.814   7.485
  Start of MODEL    6
    1    HA   PFX   0           HA       PFX   0   5.235  13.921   7.912
    2    H1N  PFX   0           H1N      PFX   0   3.004  14.323   6.498
    3    H2N  PFX   0           H2N      PFX   0   4.453  15.176   6.252
    4    H3N  PFX   0           H3N      PFX   0   3.211  15.858   7.192
    5    H1B  PFX   0           1HB      PFX   0   3.609  15.337   9.934
    6    H2B  PFX   0           2HB      PFX   0   4.440  16.386   8.785
    7    HD1  PFX   0           HD1      PFX   0   4.789  14.956  11.893
    8    HD2  PFX   0           HD2      PFX   0   6.950  15.347   8.207
    9    HE1  PFX   0           HE1      PFX   0   6.918  14.578  13.101
   10    HE2  PFX   0           HE2      PFX   0   9.082  14.971   9.413
   11    HNH  PFX   0           HNH      PFX   0   1.948  13.744   7.288
   12    H11  PFX   0          1HNH      PFX   0   0.403  12.184   8.474
   13    H21  PFX   0          2HNH      PFX   0   1.838  11.242   8.871
   14    H12  PFX   0           1H2      PFX   0   0.853  10.134   7.006
   15    H22  PFX   0           2H2      PFX   0   2.215  11.038   6.344
   16    H14  PFX   0           1H4      PFX   0   0.674  10.196   4.673
   17    H24  PFX   0           2H4      PFX   0   0.279  11.700   3.841
   18    H15  PFX   0           1H5      PFX   0  -2.021  11.550   4.452
   19    H25  PFX   0           2H5      PFX   0  -1.698  10.289   5.641
   20    H17  PFX   0           1H7      PFX   0  -0.383  10.029   2.019
   21    H27  PFX   0           2H7      PFX   0  -1.606  11.266   2.313
   22    H    ARG   1           H        ARG   1  -2.839  11.269   0.504
   23    HA   ARG   1           HA       ARG   1  -4.449  10.566  -0.981
   24    HB2  ARG   1           2HB      ARG   1  -2.504   8.254  -1.088
   25    HB3  ARG   1           1HB      ARG   1  -3.875   8.419  -2.185
   26    HG2  ARG   1           2HG      ARG   1  -2.010  10.743  -1.845
   27    HG3  ARG   1           1HG      ARG   1  -1.511   9.391  -2.861
   28    HD2  ARG   1           2HD      ARG   1  -3.080   9.835  -4.463
   29    HD3  ARG   1           1HD      ARG   1  -4.275  10.378  -3.289
   30    HE   ARG   1           HE       ARG   1  -2.197  12.276  -3.368
   31   HH11  ARG   1          1HH2      ARG   1  -4.702  10.955  -5.361
   32   HH12  ARG   1          2HH2      ARG   1  -4.931  12.408  -6.275
   33   HH21  ARG   1          1HH1      ARG   1  -2.495  14.184  -4.564
   34   HH22  ARG   1          2HH1      ARG   1  -3.684  14.236  -5.822
   35    H    SER   2           H        SER   2  -4.485   7.329  -1.036
   36    HA   SER   2           HA       SER   2  -6.289   7.005   1.272
   37    HB2  SER   2           2HB      SER   2  -7.908   5.813  -0.191
   38    HB3  SER   2           1HB      SER   2  -7.747   7.517  -0.605
   39    HG   SER   2           HG       SER   2  -6.151   5.543  -1.836
   40    H    CYS   3           H        CYS   3  -6.294   4.979   2.172
   41    HA   CYS   3           HA       CYS   3  -4.239   3.133   1.168
   42    HB2  CYS   3           2HB      CYS   3  -5.554   3.554   3.837
   43    HB3  CYS   3           1HB      CYS   3  -4.745   2.029   3.472
   44    H    ILE   4           H        ILE   4  -4.988   1.651  -0.211
   45    HA   ILE   4           HA       ILE   4  -7.177  -0.072   0.589
   46    HB   ILE   4           HB       ILE   4  -7.813   0.628  -2.092
   47   HG12  ILE   4          2HG1      ILE   4  -7.794   3.039  -0.257
   48   HG13  ILE   4          1HG1      ILE   4  -6.553   2.755  -1.477
   49   HG21  ILE   4          1HG2      ILE   4  -9.392  -0.244  -0.438
   50   HG22  ILE   4          2HG2      ILE   4  -9.957   1.321  -1.024
   51   HG23  ILE   4          31HG      ILE   4  -9.183   1.198   0.555
   52   HD11  ILE   4          3HD1      ILE   4  -8.373   2.627  -3.205
   53   HD12  ILE   4          1HD1      ILE   4  -8.242   4.208  -2.434
   54   HD13  ILE   4          2HD1      ILE   4  -9.526   3.097  -1.955
   55    H    ASP   5           H        ASP   5  -7.074  -2.067  -0.373
   56    HA   ASP   5           HA       ASP   5  -4.871  -2.479  -2.299
   57    HB2  ASP   5           2HB      ASP   5  -4.878  -4.843  -1.215
   58    HB3  ASP   5           1HB      ASP   5  -4.091  -3.512  -0.369
   59    H    THR   6           H        THR   6  -5.079  -4.628  -3.432
   60    HA   THR   6           HA       THR   6  -7.864  -5.349  -4.062
   61    HB   THR   6           HB       THR   6  -7.508  -5.180  -6.417
   62    HG1  THR   6           1HG      THR   6  -4.901  -4.235  -6.115
   63   HG21  THR   6          31HG      THR   6  -7.342  -2.865  -6.678
   64   HG22  THR   6          1HG2      THR   6  -6.077  -2.719  -5.457
   65   HG23  THR   6          2HG2      THR   6  -7.747  -3.012  -4.969
   66    H    ILE   7           H        ILE   7  -5.413  -6.420  -2.630
   67    HA   ILE   7           HA       ILE   7  -5.098  -8.954  -4.124
   68    HB   ILE   7           HB       ILE   7  -3.077  -7.488  -3.778
   69   HG12  ILE   7          2HG1      ILE   7  -3.296 -10.324  -2.843
   70   HG13  ILE   7          1HG1      ILE   7  -2.433  -9.668  -4.232
   71   HG21  ILE   7          1HG2      ILE   7  -3.897  -6.847  -1.427
   72   HG22  ILE   7          2HG2      ILE   7  -2.176  -7.198  -1.596
   73   HG23  ILE   7          31HG      ILE   7  -3.259  -8.406  -0.906
   74   HD11  ILE   7          3HD1      ILE   7  -0.631 -10.103  -2.861
   75   HD12  ILE   7          1HD1      ILE   7  -1.564  -9.878  -1.383
   76   HD13  ILE   7          2HD1      ILE   7  -1.011  -8.480  -2.297
   77    HA   PRO   8           HA       PRO   8  -7.336 -10.663  -0.636
   78    HB2  PRO   8           2HB      PRO   8  -6.648 -13.322  -1.096
   79    HB3  PRO   8           1HB      PRO   8  -8.022 -12.480  -1.832
   80    HG2  PRO   8           2HG      PRO   8  -5.376 -13.137  -2.971
   81    HG3  PRO   8           1HG      PRO   8  -6.951 -12.994  -3.767
   82    HD2  PRO   8           2HD      PRO   8  -4.989 -11.090  -3.946
   83    HD3  PRO   8           1HD      PRO   8  -6.719 -10.729  -4.113
   84    H    LYS   9           H        LYS   9  -6.465 -10.320   1.323
   85    HA   LYS   9           HA       LYS   9  -3.948 -10.256   2.207
   86    HB2  LYS   9           2HB      LYS   9  -4.794 -11.170   4.435
   87    HB3  LYS   9           1HB      LYS   9  -5.660  -9.781   3.778
   88    HG2  LYS   9           2HG      LYS   9  -7.435 -11.189   2.945
   89    HG3  LYS   9           1HG      LYS   9  -6.529 -12.650   3.344
   90    HD2  LYS   9           2HD      LYS   9  -6.620 -12.049   5.740
   91    HD3  LYS   9           1HD      LYS   9  -7.551 -10.605   5.337
   92    HE2  LYS   9           2HE      LYS   9  -9.328 -12.018   4.371
   93    HE3  LYS   9           1HE      LYS   9  -8.400 -13.462   4.776
   94    HZ1  LYS   9           3HZ      LYS   9 -10.076 -11.877   6.441
   95    HZ2  LYS   9           1HZ      LYS   9  -8.518 -12.002   7.097
   96    HZ3  LYS   9           2HZ      LYS   9  -9.401 -13.407   6.737
   97    H    SER  10           H        SER  10  -5.581 -13.137   1.206
   98    HA   SER  10           HA       SER  10  -3.866 -15.014   2.500
   99    HB2  SER  10           2HB      SER  10  -5.137 -16.609   1.474
  100    HB3  SER  10           1HB      SER  10  -6.227 -15.249   1.221
  101    HG   SER  10           HG       SER  10  -5.794 -16.381  -0.721
  102    H    ARG  11           H        ARG  11  -2.867 -12.721   0.589
  103    HA   ARG  11           HA       ARG  11  -0.922 -14.451  -0.808
  104    HB2  ARG  11           2HB      ARG  11  -2.496 -12.125  -1.833
  105    HB3  ARG  11           1HB      ARG  11  -0.858 -12.371  -2.437
  106    HG2  ARG  11           2HG      ARG  11  -1.544 -14.802  -2.876
  107    HG3  ARG  11           1HG      ARG  11  -3.204 -14.272  -2.602
  108    HD2  ARG  11           2HD      ARG  11  -1.805 -12.470  -4.406
  109    HD3  ARG  11           1HD      ARG  11  -1.780 -14.120  -5.011
  110    HE   ARG  11           HE       ARG  11  -4.202 -12.526  -4.457
  111   HH11  ARG  11          1HH2      ARG  11  -2.626 -15.338  -5.742
  112   HH12  ARG  11          2HH2      ARG  11  -4.011 -15.868  -6.635
  113   HH21  ARG  11          1HH1      ARG  11  -6.013 -13.229  -5.627
  114   HH22  ARG  11          2HH1      ARG  11  -5.923 -14.678  -6.569
  115    H    CYS  12           H        CYS  12  -1.516 -11.731   1.229
  116    HA   CYS  12           HA       CYS  12   1.192 -10.673   0.944
  117    HB2  CYS  12           2HB      CYS  12  -1.043  -9.891   2.837
  118    HB3  CYS  12           1HB      CYS  12   0.491  -9.044   2.665
  119    H    THR  13           H        THR  13   2.219 -12.708   1.578
  120    HA   THR  13           HA       THR  13   1.912 -13.521   4.367
  121    HB   THR  13           HB       THR  13   2.947 -15.486   3.778
  122    HG1  THR  13           1HG      THR  13   4.630 -15.588   2.362
  123   HG21  THR  13          31HG      THR  13   2.382 -14.757   0.936
  124   HG22  THR  13          1HG2      THR  13   1.047 -14.713   2.087
  125   HG23  THR  13          2HG2      THR  13   1.940 -16.212   1.829
  126    H    ALA  14           H        ALA  14   3.772 -13.762   5.771
  127    HA   ALA  14           HA       ALA  14   5.279 -11.423   6.065
  128    HB1  ALA  14           1HB      ALA  14   4.882 -12.975   7.917
  129    HB2  ALA  14           2HB      ALA  14   6.612 -12.713   7.698
  130    HB3  ALA  14           3HB      ALA  14   5.865 -14.201   7.118
  131    H    PHE  15           H        PHE  15   5.617 -13.856   3.794
  132    HA   PHE  15           HA       PHE  15   8.517 -13.529   3.503
  133    HB2  PHE  15           2HB      PHE  15   8.254 -15.723   3.018
  134    HB3  PHE  15           1HB      PHE  15   6.528 -15.541   2.717
  135    HD1  PHE  15           1HD      PHE  15   9.854 -14.721   1.185
  136    HD2  PHE  15           2HD      PHE  15   5.721 -15.691   0.532
  137    HE1  PHE  15           1HE      PHE  15  10.264 -14.826  -1.259
  138    HE2  PHE  15           2HE      PHE  15   6.131 -15.797  -1.911
  139    HZ   PHE  15           HZ       PHE  15   8.403 -15.364  -2.807
  140    H    GLN  16           H        GLN  16   5.477 -12.727   1.954
  141    HA   GLN  16           HA       GLN  16   6.783 -11.558  -0.374
  142    HB2  GLN  16           2HB      GLN  16   3.925 -11.892   0.517
  143    HB3  GLN  16           1HB      GLN  16   4.338 -10.826  -0.827
  144    HG2  GLN  16           2HG      GLN  16   5.410 -13.633  -0.763
  145    HG3  GLN  16           1HG      GLN  16   3.763 -13.334  -1.318
  146   HE21  GLN  16          1HE2      GLN  16   4.128 -10.853  -2.653
  147   HE22  GLN  16          2HE2      GLN  16   5.156 -11.093  -3.982
  148    H    CYS  17           H        CYS  17   5.367 -10.599   2.660
  149    HA   CYS  17           HA       CYS  17   5.269  -7.779   2.073
  150    HB2  CYS  17           2HB      CYS  17   4.369  -9.549   4.141
  151    HB3  CYS  17           1HB      CYS  17   5.299  -8.243   4.875
  152    H    LYS  18           H        LYS  18   7.862  -9.544   2.066
  153    HA   LYS  18           HA       LYS  18   9.502  -7.497   3.398
  154    HB2  LYS  18           2HB      LYS  18   9.196  -9.549   4.879
  155    HB3  LYS  18           1HB      LYS  18  10.115 -10.442   3.668
  156    HG2  LYS  18           2HG      LYS  18  11.452  -7.954   4.310
  157    HG3  LYS  18           1HG      LYS  18  11.154  -8.887   5.777
  158    HD2  LYS  18           2HD      LYS  18  12.118 -10.899   4.579
  159    HD3  LYS  18           1HD      LYS  18  12.605  -9.805   3.283
  160    HE2  LYS  18           2HE      LYS  18  14.528  -9.738   4.555
  161    HE3  LYS  18           1HE      LYS  18  13.632  -8.439   5.341
  162    HZ1  LYS  18           3HZ      LYS  18  14.412 -10.988   6.370
  163    HZ2  LYS  18           1HZ      LYS  18  12.750 -10.709   6.568
  164    HZ3  LYS  18           2HZ      LYS  18  13.876  -9.605   7.200
  165    H    HIS  19           H        HIS  19   9.207 -10.092   1.048
  166    HA   HIS  19           HA       HIS  19  11.824  -9.596  -0.097
  167    HB2  HIS  19           2HB      HIS  19   9.524 -11.315  -1.062
  168    HB3  HIS  19           1HB      HIS  19  11.144 -11.289  -1.758
  169    HD1  HIS  19           1HD      HIS  19  10.224 -11.262   1.931
  170    HD2  HIS  19           2HD      HIS  19  12.172 -13.704  -0.827
  171    HE1  HIS  19           1HE      HIS  19  11.237 -13.167   3.255
  172    HE2  HIS  19           2HE      HIS  19  12.425 -14.668   1.587
  173    H    SER  20           H        SER  20   8.467  -9.341  -1.288
  174    HA   SER  20           HA       SER  20   9.379  -7.470  -3.360
  175    HB2  SER  20           2HB      SER  20   6.618  -8.642  -2.987
  176    HB3  SER  20           1HB      SER  20   7.259  -7.845  -4.421
  177    HG   SER  20           HG       SER  20   8.275  -9.621  -4.947
  178    H    NLE  21           H        NLE  21   9.490  -5.416  -2.661
  179    HA   NLE  21           HA       NLE  21   8.096  -4.347  -0.467
  180    HB2  NLE  21           1HB      NLE  21   8.668  -2.217  -2.230
  181    HB3  NLE  21           2HB      NLE  21   9.948  -3.407  -2.462
  182    HG2  NLE  21           1HG      NLE  21  10.518  -3.383  -0.141
  183    HG3  NLE  21           2HG      NLE  21   9.047  -2.507   0.283
  184    HD2  NLE  21           1HD      NLE  21  10.035  -0.705  -1.395
  185    HD3  NLE  21           2HD      NLE  21  11.561  -1.497  -1.001
  186    HE1  NLE  21           3HE      NLE  21  11.255   0.314   0.569
  187    HE2  NLE  21           1HE      NLE  21  10.980  -1.194   1.442
  188    HE3  NLE  21           2HE      NLE  21   9.610  -0.210   0.930
  189    H    LYS  22           H        LYS  22   7.344  -4.280  -3.938
  190    HA   LYS  22           HA       LYS  22   5.288  -2.513  -4.097
  191    HB2  LYS  22           2HB      LYS  22   4.203  -4.619  -5.460
  192    HB3  LYS  22           1HB      LYS  22   5.404  -3.513  -6.120
  193    HG2  LYS  22           2HG      LYS  22   7.161  -5.010  -5.784
  194    HG3  LYS  22           1HG      LYS  22   6.302  -5.883  -4.513
  195    HD2  LYS  22           2HD      LYS  22   6.306  -7.279  -6.488
  196    HD3  LYS  22           1HD      LYS  22   4.667  -6.666  -6.258
  197    HE2  LYS  22           2HE      LYS  22   5.415  -6.490  -8.629
  198    HE3  LYS  22           1HE      LYS  22   5.049  -4.917  -7.921
  199    HZ1  LYS  22           3HZ      LYS  22   7.785  -6.045  -7.932
  200    HZ2  LYS  22           1HZ      LYS  22   7.314  -4.439  -7.657
  201    HZ3  LYS  22           2HZ      LYS  22   7.190  -5.105  -9.216
  202    H    TYR  23           H        TYR  23   5.403  -5.232  -2.036
  203    HA   TYR  23           HA       TYR  23   2.533  -5.505  -1.804
  204    HB2  TYR  23           2HB      TYR  23   4.910  -6.781  -0.512
  205    HB3  TYR  23           1HB      TYR  23   3.346  -6.894   0.294
  206    HD1  TYR  23           1HD      TYR  23   4.202  -6.823  -3.346
  207    HD2  TYR  23           2HD      TYR  23   2.554  -9.076  -0.082
  208    HE1  TYR  23           1HE      TYR  23   3.507  -8.602  -4.928
  209    HE2  TYR  23           2HE      TYR  23   1.860 -10.858  -1.665
  210    HH   TYR  23           HH       TYR  23   2.538 -11.678  -3.921
  211    H    ARG  24           H        ARG  24   5.166  -4.225   0.258
  212    HA   ARG  24           HA       ARG  24   3.319  -3.296   2.263
  213    HB2  ARG  24           2HB      ARG  24   5.632  -1.909   2.768
  214    HB3  ARG  24           1HB      ARG  24   5.246  -3.500   3.408
  215    HG2  ARG  24           2HG      ARG  24   6.555  -3.224   0.716
  216    HG3  ARG  24           1HG      ARG  24   7.517  -3.159   2.184
  217    HD2  ARG  24           2HD      ARG  24   6.339  -5.336   2.865
  218    HD3  ARG  24           1HD      ARG  24   5.808  -5.441   1.190
  219    HE   ARG  24           HE       ARG  24   7.939  -6.163   0.677
  220   HH11  ARG  24          1HH2      ARG  24   7.981  -4.243   3.561
  221   HH12  ARG  24          2HH2      ARG  24   9.683  -4.428   3.820
  222   HH21  ARG  24          1HH1      ARG  24  10.162  -6.410   1.016
  223   HH22  ARG  24          2HH1      ARG  24  10.918  -5.658   2.382
  224    H    LEU  25           H        LEU  25   3.032  -2.215  -0.564
  225    HA   LEU  25           HA       LEU  25   2.255   0.393   0.155
  226    HB2  LEU  25           2HB      LEU  25   3.996   1.621  -1.271
  227    HB3  LEU  25           1HB      LEU  25   4.496   1.078   0.329
  228    HG   LEU  25           HG       LEU  25   4.925  -1.038  -1.581
  229   HD11  LEU  25          1HD1      LEU  25   5.132   0.613  -3.310
  230   HD12  LEU  25          2HD1      LEU  25   6.773   0.174  -2.838
  231   HD13  LEU  25          3HD1      LEU  25   6.065   1.682  -2.262
  232   HD21  LEU  25          31HD      LEU  25   6.136  -0.990   0.477
  233   HD22  LEU  25          1HD2      LEU  25   6.661   0.674   0.213
  234   HD23  LEU  25          2HD2      LEU  25   7.326  -0.627  -0.774
  235    H    SER  26           H        SER  26   1.344  -1.880  -1.468
  236    HA   SER  26           HA       SER  26   0.367  -0.368  -3.713
  237    HB2  SER  26           2HB      SER  26   1.578  -2.898  -4.615
  238    HB3  SER  26           1HB      SER  26   1.473  -1.347  -5.411
  239    HG   SER  26           HG       SER  26   3.622  -1.877  -4.798
  240    H    PHE  27           H        PHE  27   0.903  -3.794  -3.116
  241    HA   PHE  27           HA       PHE  27  -1.892  -4.372  -3.633
  242    HB2  PHE  27           2HB      PHE  27   0.435  -6.172  -2.953
  243    HB3  PHE  27           1HB      PHE  27  -1.155  -6.706  -3.476
  244    HD1  PHE  27           2HD      PHE  27  -2.045  -5.836  -5.735
  245    HD2  PHE  27           1HD      PHE  27   2.066  -5.577  -4.525
  246    HE1  PHE  27           2HE      PHE  27  -1.368  -5.534  -8.102
  247    HE2  PHE  27           1HE      PHE  27   2.740  -5.281  -6.885
  248    HZ   PHE  27           HZ       PHE  27   1.029  -5.256  -8.678
  249    H    CYS  28           H        CYS  28   0.376  -4.660  -0.900
  250    HA   CYS  28           HA       CYS  28  -1.904  -5.357   0.818
  251    HB2  CYS  28           2HB      CYS  28   0.970  -5.358   1.707
  252    HB3  CYS  28           1HB      CYS  28  -0.388  -6.271   2.365
  253    H    ARG  29           H        ARG  29  -2.426  -2.989   0.298
  254    HA   ARG  29           HA       ARG  29  -0.932  -0.936   1.614
  255    HB2  ARG  29           2HB      ARG  29  -3.813  -0.827   0.724
  256    HB3  ARG  29           1HB      ARG  29  -2.706   0.526   0.943
  257    HG2  ARG  29           2HG      ARG  29  -1.392  -1.220  -0.824
  258    HG3  ARG  29           1HG      ARG  29  -3.071  -1.187  -1.368
  259    HD2  ARG  29           2HD      ARG  29  -1.526   0.623  -2.332
  260    HD3  ARG  29           1HD      ARG  29  -3.048   1.175  -1.637
  261    HE   ARG  29           HE       ARG  29  -0.699   1.170   0.118
  262   HH11  ARG  29          1HH2      ARG  29  -2.927   2.880  -1.906
  263   HH12  ARG  29          2HH2      ARG  29  -2.581   4.428  -1.212
  264   HH21  ARG  29          1HH1      ARG  29  -0.247   3.196   1.038
  265   HH22  ARG  29          2HH1      ARG  29  -1.061   4.608   0.452
  266    H    LYS  30           H        LYS  30  -1.607  -3.084   3.438
  267    HA   LYS  30           HA       LYS  30  -2.482  -1.555   5.644
  268    HB2  LYS  30           2HB      LYS  30  -4.665  -2.591   6.067
  269    HB3  LYS  30           1HB      LYS  30  -4.673  -1.676   4.561
  270    HG2  LYS  30           2HG      LYS  30  -5.532  -3.564   3.647
  271    HG3  LYS  30           1HG      LYS  30  -3.880  -4.171   3.716
  272    HD2  LYS  30           2HD      LYS  30  -4.285  -5.219   5.862
  273    HD3  LYS  30           1HD      LYS  30  -5.868  -4.455   5.986
  274    HE2  LYS  30           2HE      LYS  30  -5.428  -6.979   4.997
  275    HE3  LYS  30           1HE      LYS  30  -6.847  -5.995   4.638
  276    HZ1  LYS  30           3HZ      LYS  30  -4.409  -5.625   3.045
  277    HZ2  LYS  30           1HZ      LYS  30  -6.030  -5.389   2.606
  278    HZ3  LYS  30           2HZ      LYS  30  -5.405  -6.964   2.725
  279    H    THR  31           H        THR  31  -2.504  -4.808   4.284
  280    HA   THR  31           HA       THR  31  -2.269  -6.249   6.678
  281    HB   THR  31           HB       THR  31  -0.771  -7.549   4.604
  282    HG1  THR  31           1HG      THR  31  -2.996  -6.033   3.836
  283   HG21  THR  31          31HG      THR  31  -2.873  -9.001   4.629
  284   HG22  THR  31          1HG2      THR  31  -3.511  -7.883   5.835
  285   HG23  THR  31          2HG2      THR  31  -2.048  -8.807   6.176
  286    H    CYS  32           H        CYS  32   0.174  -4.911   4.505
  287    HA   CYS  32           HA       CYS  32   2.402  -5.802   6.082
  288    HB2  CYS  32           2HB      CYS  32   2.022  -4.677   3.528
  289    HB3  CYS  32           1HB      CYS  32   2.996  -3.511   4.426
  290    H    GLY  33           H        GLY  33   0.043  -3.737   6.821
  291    HA2  GLY  33           2HA      GLY  33  -0.191  -1.958   8.265
  292    HA3  GLY  33           1HA      GLY  33   1.318  -2.516   8.988
  293    H    THR  34           H        THR  34   0.863  -1.458   5.655
  294    HA   THR  34           HA       THR  34   2.886   0.639   6.128
  295    HB   THR  34           HB       THR  34   3.388  -0.995   4.363
  296    HG1  THR  34           1HG      THR  34   2.694   1.392   3.056
  297   HG21  THR  34          31HG      THR  34   1.931  -1.572   2.706
  298   HG22  THR  34          1HG2      THR  34   1.267   0.058   2.582
  299   HG23  THR  34          2HG2      THR  34   0.724  -1.020   3.869
  300    H    CYS  35           H        CYS  35  -0.367   0.133   4.852
  301    HA   CYS  35           HA       CYS  35  -1.856   1.693   3.932
  302    HB2  CYS  35           2HB      CYS  35  -2.417   1.617   6.290
  303    HB3  CYS  35           1HB      CYS  35  -1.155   2.792   6.663
  304    HN1  NH2  36           H2       NH2  36   0.177   5.167   4.411
  305    HN2  NH2  36           H1       NH2  36  -0.450   4.329   5.748
  Start of MODEL    7
    1    HA   PFX   0           HA       PFX   0   3.039   9.872   9.168
    2    H1N  PFX   0           H1N      PFX   0   0.794   9.679  11.033
    3    H2N  PFX   0           H2N      PFX   0   1.284  11.228  10.535
    4    H3N  PFX   0           H3N      PFX   0   2.387  10.193  11.306
    5    H1B  PFX   0           1HB      PFX   0   1.259   7.899   8.379
    6    H2B  PFX   0           2HB      PFX   0   1.082   7.913  10.135
    7    HD1  PFX   0           HD1      PFX   0   3.320   8.008  11.508
    8    HD2  PFX   0           HD2      PFX   0   3.047   6.724   7.422
    9    HE1  PFX   0           HE1      PFX   0   5.478   6.816  11.740
   10    HE2  PFX   0           HE2      PFX   0   5.205   5.531   7.652
   11    HNH  PFX   0           HNH      PFX   0  -0.622   9.629   8.679
   12    H11  PFX   0          1HNH      PFX   0  -0.170   8.477   6.374
   13    H21  PFX   0          2HNH      PFX   0   0.180  10.136   5.896
   14    H12  PFX   0           1H2      PFX   0  -2.196  10.579   7.015
   15    H22  PFX   0           2H2      PFX   0  -2.433   8.878   6.615
   16    H14  PFX   0           1H4      PFX   0  -1.499   8.186   4.554
   17    H24  PFX   0           2H4      PFX   0  -0.538   9.459   3.801
   18    H15  PFX   0           1H5      PFX   0  -3.438   9.155   3.070
   19    H25  PFX   0           2H5      PFX   0  -2.238   8.091   2.335
   20    H17  PFX   0           1H7      PFX   0  -0.502   8.849   1.226
   21    H27  PFX   0           2H7      PFX   0  -0.502  10.452   0.490
   22    H    ARG   1           H        ARG   1  -0.322   8.137  -0.978
   23    HA   ARG   1           HA       ARG   1  -1.743   9.347  -3.053
   24    HB2  ARG   1           2HB      ARG   1   0.389   7.873  -3.133
   25    HB3  ARG   1           1HB      ARG   1  -0.731   6.520  -3.264
   26    HG2  ARG   1           2HG      ARG   1  -1.837   7.747  -5.185
   27    HG3  ARG   1           1HG      ARG   1  -0.495   8.891  -5.127
   28    HD2  ARG   1           2HD      ARG   1  -0.548   6.092  -6.091
   29    HD3  ARG   1           1HD      ARG   1   0.454   7.443  -6.611
   30    HE   ARG   1           HE       ARG   1   1.002   6.157  -4.015
   31   HH11  ARG   1          1HH2      ARG   1   1.890   6.931  -7.278
   32   HH12  ARG   1          2HH2      ARG   1   3.545   6.466  -7.076
   33   HH21  ARG   1          1HH1      ARG   1   3.168   5.543  -3.757
   34   HH22  ARG   1          2HH1      ARG   1   4.270   5.683  -5.086
   35    H    SER   2           H        SER   2  -2.117   5.864  -2.778
   36    HA   SER   2           HA       SER   2  -5.022   6.167  -2.491
   37    HB2  SER   2           2HB      SER   2  -4.491   4.013  -4.283
   38    HB3  SER   2           1HB      SER   2  -5.399   5.488  -4.596
   39    HG   SER   2           HG       SER   2  -2.917   4.773  -5.404
   40    H    CYS   3           H        CYS   3  -4.857   5.379  -0.376
   41    HA   CYS   3           HA       CYS   3  -3.437   2.947   0.180
   42    HB2  CYS   3           2HB      CYS   3  -5.037   4.905   1.734
   43    HB3  CYS   3           1HB      CYS   3  -4.960   3.264   2.373
   44    H    ILE   4           H        ILE   4  -4.309   1.342  -1.118
   45    HA   ILE   4           HA       ILE   4  -6.608   0.016  -0.105
   46    HB   ILE   4           HB       ILE   4  -7.500   0.335  -2.732
   47   HG12  ILE   4          2HG1      ILE   4  -7.103   3.111  -1.622
   48   HG13  ILE   4          1HG1      ILE   4  -5.836   2.385  -2.612
   49   HG21  ILE   4          1HG2      ILE   4  -9.415   1.384  -1.695
   50   HG22  ILE   4          2HG2      ILE   4  -8.461   1.845  -0.286
   51   HG23  ILE   4          31HG      ILE   4  -8.813   0.144  -0.594
   52   HD11  ILE   4          3HD1      ILE   4  -8.373   1.939  -3.890
   53   HD12  ILE   4          1HD1      ILE   4  -6.991   2.863  -4.478
   54   HD13  ILE   4          2HD1      ILE   4  -8.225   3.650  -3.496
   55    H    ASP   5           H        ASP   5  -6.417  -2.105  -0.528
   56    HA   ASP   5           HA       ASP   5  -4.297  -3.018  -2.294
   57    HB2  ASP   5           2HB      ASP   5  -4.783  -5.224  -1.393
   58    HB3  ASP   5           1HB      ASP   5  -4.683  -4.057  -0.074
   59    H    THR   6           H        THR   6  -4.787  -4.966  -3.708
   60    HA   THR   6           HA       THR   6  -7.428  -4.771  -4.996
   61    HB   THR   6           HB       THR   6  -6.029  -3.350  -6.348
   62    HG1  THR   6           1HG      THR   6  -7.302  -5.303  -7.248
   63   HG21  THR   6          31HG      THR   6  -3.805  -3.678  -6.306
   64   HG22  THR   6          1HG2      THR   6  -4.042  -5.077  -7.351
   65   HG23  THR   6          2HG2      THR   6  -4.011  -5.280  -5.600
   66    H    ILE   7           H        ILE   7  -5.097  -6.696  -3.619
   67    HA   ILE   7           HA       ILE   7  -6.121  -9.049  -5.077
   68    HB   ILE   7           HB       ILE   7  -3.876 -10.104  -4.761
   69   HG12  ILE   7          2HG1      ILE   7  -2.220  -7.871  -4.573
   70   HG13  ILE   7          1HG1      ILE   7  -3.449  -7.592  -3.337
   71   HG21  ILE   7          1HG2      ILE   7  -4.751  -8.598  -6.790
   72   HG22  ILE   7          2HG2      ILE   7  -3.117  -9.262  -6.767
   73   HG23  ILE   7          31HG      ILE   7  -3.395  -7.588  -6.288
   74   HD11  ILE   7          3HD1      ILE   7  -1.727  -8.868  -2.270
   75   HD12  ILE   7          1HD1      ILE   7  -1.620  -9.985  -3.629
   76   HD13  ILE   7          2HD1      ILE   7  -3.042 -10.002  -2.586
   77    HA   PRO   8           HA       PRO   8  -7.486 -10.826  -1.305
   78    HB2  PRO   8           2HB      PRO   8  -5.802 -13.178  -2.046
   79    HB3  PRO   8           1HB      PRO   8  -7.513 -13.115  -1.594
   80    HG2  PRO   8           2HG      PRO   8  -6.652 -13.400  -4.143
   81    HG3  PRO   8           1HG      PRO   8  -8.191 -12.645  -3.705
   82    HD2  PRO   8           2HD      PRO   8  -5.780 -11.393  -4.819
   83    HD3  PRO   8           1HD      PRO   8  -7.430 -10.744  -4.692
   84    H    LYS   9           H        LYS   9  -6.672 -10.179   0.616
   85    HA   LYS   9           HA       LYS   9  -3.933  -9.773   1.147
   86    HB2  LYS   9           2HB      LYS   9  -4.676  -9.609   3.545
   87    HB3  LYS   9           1HB      LYS   9  -5.574  -8.571   2.436
   88    HG2  LYS   9           2HG      LYS   9  -6.871 -11.119   2.500
   89    HG3  LYS   9           1HG      LYS   9  -6.598 -10.604   4.165
   90    HD2  LYS   9           2HD      LYS   9  -7.700  -8.481   3.745
   91    HD3  LYS   9           1HD      LYS   9  -7.852  -8.856   2.029
   92    HE2  LYS   9           2HE      LYS   9  -9.005 -10.762   4.036
   93    HE3  LYS   9           1HE      LYS   9  -9.884  -9.279   3.661
   94    HZ1  LYS   9           3HZ      LYS   9  -9.306 -10.069   1.219
   95    HZ2  LYS   9           1HZ      LYS   9 -10.700 -10.594   2.032
   96    HZ3  LYS   9           2HZ      LYS   9  -9.325 -11.591   1.973
   97    H    SER  10           H        SER  10  -5.414 -12.623   0.627
   98    HA   SER  10           HA       SER  10  -4.385 -14.232   2.759
   99    HB2  SER  10           2HB      SER  10  -6.193 -15.206   1.628
  100    HB3  SER  10           1HB      SER  10  -5.540 -14.807   0.042
  101    HG   SER  10           HG       SER  10  -4.848 -16.859   1.823
  102    H    ARG  11           H        ARG  11  -3.128 -13.040  -0.276
  103    HA   ARG  11           HA       ARG  11  -0.908 -14.883  -0.387
  104    HB2  ARG  11           2HB      ARG  11  -1.580 -12.334  -1.857
  105    HB3  ARG  11           1HB      ARG  11  -0.069 -13.199  -2.116
  106    HG2  ARG  11           2HG      ARG  11  -2.562 -14.828  -2.204
  107    HG3  ARG  11           1HG      ARG  11  -2.325 -13.703  -3.536
  108    HD2  ARG  11           2HD      ARG  11  -1.123 -15.403  -4.448
  109    HD3  ARG  11           1HD      ARG  11   0.161 -14.849  -3.382
  110    HE   ARG  11           HE       ARG  11  -1.372 -16.611  -1.883
  111   HH11  ARG  11          1HH2      ARG  11   0.457 -16.627  -4.819
  112   HH12  ARG  11          2HH2      ARG  11   0.903 -18.296  -4.695
  113   HH21  ARG  11          1HH1      ARG  11  -0.794 -18.802  -1.713
  114   HH22  ARG  11          2HH1      ARG  11   0.195 -19.529  -2.935
  115    H    CYS  12           H        CYS  12  -1.632 -12.392   1.648
  116    HA   CYS  12           HA       CYS  12   0.913 -11.077   1.814
  117    HB2  CYS  12           2HB      CYS  12  -1.588 -10.455   2.687
  118    HB3  CYS  12           1HB      CYS  12  -0.846 -11.025   4.184
  119    H    THR  13           H        THR  13   2.597 -12.364   2.276
  120    HA   THR  13           HA       THR  13   2.456 -13.934   4.779
  121    HB   THR  13           HB       THR  13   3.666 -15.684   3.818
  122    HG1  THR  13           1HG      THR  13   4.285 -14.022   1.614
  123   HG21  THR  13          31HG      THR  13   1.342 -15.241   2.776
  124   HG22  THR  13          1HG2      THR  13   2.417 -16.353   1.929
  125   HG23  THR  13          2HG2      THR  13   2.235 -14.693   1.357
  126    H    ALA  14           H        ALA  14   4.508 -14.144   5.914
  127    HA   ALA  14           HA       ALA  14   5.897 -11.686   6.146
  128    HB1  ALA  14           1HB      ALA  14   5.635 -13.484   7.932
  129    HB2  ALA  14           2HB      ALA  14   7.244 -12.777   7.782
  130    HB3  ALA  14           3HB      ALA  14   6.913 -14.367   7.095
  131    H    PHE  15           H        PHE  15   5.929 -13.456   3.553
  132    HA   PHE  15           HA       PHE  15   8.836 -13.218   3.077
  133    HB2  PHE  15           2HB      PHE  15   8.784 -15.358   2.411
  134    HB3  PHE  15           1HB      PHE  15   7.051 -15.431   2.703
  135    HD1  PHE  15           1HD      PHE  15   9.466 -14.040   0.186
  136    HD2  PHE  15           2HD      PHE  15   5.659 -15.894   0.897
  137    HE1  PHE  15           1HE      PHE  15   9.068 -14.160  -2.259
  138    HE2  PHE  15           2HE      PHE  15   5.258 -16.012  -1.547
  139    HZ   PHE  15           HZ       PHE  15   6.963 -15.147  -3.127
  140    H    GLN  16           H        GLN  16   5.621 -12.417   2.034
  141    HA   GLN  16           HA       GLN  16   6.441 -11.400  -0.550
  142    HB2  GLN  16           2HB      GLN  16   3.859 -11.322   1.007
  143    HB3  GLN  16           1HB      GLN  16   4.059 -10.485  -0.533
  144    HG2  GLN  16           2HG      GLN  16   4.974 -13.298  -0.502
  145    HG3  GLN  16           1HG      GLN  16   3.236 -13.074  -0.317
  146   HE21  GLN  16          1HE2      GLN  16   5.863 -11.632  -2.347
  147   HE22  GLN  16          2HE2      GLN  16   4.958 -11.668  -3.783
  148    H    CYS  17           H        CYS  17   5.614 -10.067   2.624
  149    HA   CYS  17           HA       CYS  17   5.779  -7.316   1.820
  150    HB2  CYS  17           2HB      CYS  17   4.730  -8.544   3.973
  151    HB3  CYS  17           1HB      CYS  17   6.283  -8.058   4.650
  152    H    LYS  18           H        LYS  18   8.131  -9.620   1.973
  153    HA   LYS  18           HA       LYS  18  10.203  -7.663   2.769
  154    HB2  LYS  18           2HB      LYS  18  10.008 -10.640   3.127
  155    HB3  LYS  18           1HB      LYS  18  11.583  -9.850   3.078
  156    HG2  LYS  18           2HG      LYS  18   9.739  -8.403   4.796
  157    HG3  LYS  18           1HG      LYS  18   9.904 -10.083   5.307
  158    HD2  LYS  18           2HD      LYS  18  11.649  -8.891   6.426
  159    HD3  LYS  18           1HD      LYS  18  12.427  -9.763   5.105
  160    HE2  LYS  18           2HE      LYS  18  11.430  -7.040   4.464
  161    HE3  LYS  18           1HE      LYS  18  12.815  -7.126   5.549
  162    HZ1  LYS  18           3HZ      LYS  18  12.958  -8.872   3.250
  163    HZ2  LYS  18           1HZ      LYS  18  14.147  -7.873   3.932
  164    HZ3  LYS  18           2HZ      LYS  18  12.986  -7.214   2.881
  165    H    HIS  19           H        HIS  19   9.412 -10.337   0.596
  166    HA   HIS  19           HA       HIS  19  11.698  -9.808  -1.095
  167    HB2  HIS  19           2HB      HIS  19   9.352 -11.687  -1.446
  168    HB3  HIS  19           1HB      HIS  19  10.797 -11.656  -2.457
  169    HD1  HIS  19           1HD      HIS  19  10.151 -11.775   1.315
  170    HD2  HIS  19           2HD      HIS  19  12.583 -13.553  -1.565
  171    HE1  HIS  19           1HE      HIS  19  11.628 -13.418   2.545
  172    HE2  HIS  19           2HE      HIS  19  13.112 -14.518   0.802
  173    H    SER  20           H        SER  20   8.204  -9.316  -1.166
  174    HA   SER  20           HA       SER  20   8.531  -7.722  -3.638
  175    HB2  SER  20           2HB      SER  20   6.011  -9.028  -2.591
  176    HB3  SER  20           1HB      SER  20   6.194  -8.174  -4.121
  177    HG   SER  20           HG       SER  20   6.751 -10.731  -3.512
  178    H    NLE  21           H        NLE  21   8.857  -5.680  -2.910
  179    HA   NLE  21           HA       NLE  21   7.701  -4.583  -0.575
  180    HB2  NLE  21           1HB      NLE  21   8.397  -2.380  -1.686
  181    HB3  NLE  21           2HB      NLE  21   9.039  -3.386  -2.988
  182    HG2  NLE  21           1HG      NLE  21  10.548  -4.493  -1.513
  183    HG3  NLE  21           2HG      NLE  21   9.719  -3.872  -0.086
  184    HD2  NLE  21           1HD      NLE  21  10.998  -2.029  -0.095
  185    HD3  NLE  21           2HD      NLE  21  10.541  -1.674  -1.760
  186    HE1  NLE  21           3HE      NLE  21  12.289  -3.199  -2.575
  187    HE2  NLE  21           1HE      NLE  21  12.725  -3.604  -0.915
  188    HE3  NLE  21           2HE      NLE  21  12.994  -1.971  -1.524
  189    H    LYS  22           H        LYS  22   6.630  -4.674  -3.926
  190    HA   LYS  22           HA       LYS  22   4.686  -2.677  -3.870
  191    HB2  LYS  22           2HB      LYS  22   4.110  -5.266  -5.260
  192    HB3  LYS  22           1HB      LYS  22   3.840  -3.612  -5.814
  193    HG2  LYS  22           2HG      LYS  22   5.742  -3.886  -7.011
  194    HG3  LYS  22           1HG      LYS  22   6.579  -3.684  -5.472
  195    HD2  LYS  22           2HD      LYS  22   6.072  -6.267  -5.219
  196    HD3  LYS  22           1HD      LYS  22   5.964  -6.198  -6.978
  197    HE2  LYS  22           2HE      LYS  22   8.326  -5.636  -5.207
  198    HE3  LYS  22           1HE      LYS  22   8.239  -6.635  -6.656
  199    HZ1  LYS  22           3HZ      LYS  22   9.378  -4.572  -7.115
  200    HZ2  LYS  22           1HZ      LYS  22   8.048  -3.674  -6.566
  201    HZ3  LYS  22           2HZ      LYS  22   7.910  -4.623  -7.968
  202    H    TYR  23           H        TYR  23   4.904  -4.960  -1.626
  203    HA   TYR  23           HA       TYR  23   2.014  -5.469  -1.405
  204    HB2  TYR  23           2HB      TYR  23   4.453  -6.814  -0.271
  205    HB3  TYR  23           1HB      TYR  23   2.863  -7.059   0.451
  206    HD1  TYR  23           2HD      TYR  23   4.717  -7.251  -2.782
  207    HD2  TYR  23           1HD      TYR  23   1.312  -8.559  -0.515
  208    HE1  TYR  23           2HE      TYR  23   4.173  -8.903  -4.552
  209    HE2  TYR  23           1HE      TYR  23   0.766 -10.209  -2.285
  210    HH   TYR  23           HH       TYR  23   2.670 -10.372  -5.289
  211    H    ARG  24           H        ARG  24   4.725  -3.864   0.115
  212    HA   ARG  24           HA       ARG  24   3.085  -3.185   2.450
  213    HB2  ARG  24           2HB      ARG  24   5.411  -1.974   2.986
  214    HB3  ARG  24           1HB      ARG  24   5.152  -3.687   3.314
  215    HG2  ARG  24           2HG      ARG  24   6.256  -4.342   1.302
  216    HG3  ARG  24           1HG      ARG  24   6.239  -2.694   0.680
  217    HD2  ARG  24           2HD      ARG  24   7.550  -2.463   3.120
  218    HD3  ARG  24           1HD      ARG  24   8.159  -3.977   2.456
  219    HE   ARG  24           HE       ARG  24   9.410  -2.658   1.034
  220   HH11  ARG  24          1HH2      ARG  24   6.420  -1.086   1.790
  221   HH12  ARG  24          2HH2      ARG  24   6.729   0.285   0.779
  222   HH21  ARG  24          1HH1      ARG  24   9.808  -0.870  -0.298
  223   HH22  ARG  24          2HH1      ARG  24   8.646   0.408  -0.399
  224    H    LEU  25           H        LEU  25   3.321  -2.117  -0.561
  225    HA   LEU  25           HA       LEU  25   2.473   0.560   0.153
  226    HB2  LEU  25           2HB      LEU  25   4.145   1.759  -1.065
  227    HB3  LEU  25           1HB      LEU  25   4.994   0.671   0.033
  228    HG   LEU  25           HG       LEU  25   4.503  -0.766  -2.389
  229   HD11  LEU  25          1HD1      LEU  25   5.725   1.984  -2.771
  230   HD12  LEU  25          2HD1      LEU  25   4.263   1.369  -3.540
  231   HD13  LEU  25          3HD1      LEU  25   5.830   0.674  -3.948
  232   HD21  LEU  25          31HD      LEU  25   6.953   0.386  -1.045
  233   HD22  LEU  25          1HD2      LEU  25   7.044  -0.660  -2.460
  234   HD23  LEU  25          2HD2      LEU  25   6.355  -1.267  -0.957
  235    H    SER  26           H        SER  26   1.429  -1.887  -1.256
  236    HA   SER  26           HA       SER  26   0.263  -0.466  -3.486
  237    HB2  SER  26           2HB      SER  26   2.581  -2.048  -3.962
  238    HB3  SER  26           1HB      SER  26   1.202  -2.886  -4.669
  239    HG   SER  26           HG       SER  26   2.224  -0.318  -5.192
  240    H    PHE  27           H        PHE  27   0.836  -3.852  -2.491
  241    HA   PHE  27           HA       PHE  27  -2.014  -4.398  -2.893
  242    HB2  PHE  27           2HB      PHE  27   0.048  -6.421  -2.063
  243    HB3  PHE  27           1HB      PHE  27  -1.451  -6.672  -2.945
  244    HD1  PHE  27           2HD      PHE  27  -1.182  -4.362  -4.913
  245    HD2  PHE  27           1HD      PHE  27   1.615  -7.342  -3.596
  246    HE1  PHE  27           2HE      PHE  27   0.054  -4.149  -7.055
  247    HE2  PHE  27           1HE      PHE  27   2.850  -7.127  -5.733
  248    HZ   PHE  27           HZ       PHE  27   2.071  -5.533  -7.463
  249    H    CYS  28           H        CYS  28   0.387  -5.397  -0.443
  250    HA   CYS  28           HA       CYS  28  -1.732  -5.444   1.538
  251    HB2  CYS  28           2HB      CYS  28   0.832  -6.737   1.215
  252    HB3  CYS  28           1HB      CYS  28   0.690  -6.018   2.818
  253    H    ARG  29           H        ARG  29  -1.420  -2.951   0.665
  254    HA   ARG  29           HA       ARG  29   0.384  -1.449   2.336
  255    HB2  ARG  29           2HB      ARG  29  -1.145   0.463   1.352
  256    HB3  ARG  29           1HB      ARG  29   0.059  -0.334   0.344
  257    HG2  ARG  29           2HG      ARG  29  -1.527  -1.272  -0.980
  258    HG3  ARG  29           1HG      ARG  29  -2.511  -1.748   0.404
  259    HD2  ARG  29           2HD      ARG  29  -2.379   1.141  -0.278
  260    HD3  ARG  29           1HD      ARG  29  -3.353   0.081  -1.291
  261    HE   ARG  29           HE       ARG  29  -4.742  -0.385   0.580
  262   HH11  ARG  29          1HH2      ARG  29  -2.147   1.802   1.276
  263   HH12  ARG  29          2HH2      ARG  29  -2.810   2.313   2.790
  264   HH21  ARG  29          1HH1      ARG  29  -5.597   0.279   2.569
  265   HH22  ARG  29          2HH1      ARG  29  -4.750   1.446   3.525
  266    H    LYS  30           H        LYS  30  -1.584  -3.130   3.694
  267    HA   LYS  30           HA       LYS  30  -2.667  -1.098   5.490
  268    HB2  LYS  30           2HB      LYS  30  -4.918  -2.072   5.449
  269    HB3  LYS  30           1HB      LYS  30  -4.480  -1.466   3.852
  270    HG2  LYS  30           2HG      LYS  30  -3.685  -3.825   3.318
  271    HG3  LYS  30           1HG      LYS  30  -4.479  -4.334   4.810
  272    HD2  LYS  30           2HD      LYS  30  -6.499  -2.933   3.735
  273    HD3  LYS  30           1HD      LYS  30  -5.680  -3.406   2.246
  274    HE2  LYS  30           2HE      LYS  30  -6.911  -5.153   4.360
  275    HE3  LYS  30           1HE      LYS  30  -7.129  -5.210   2.610
  276    HZ1  LYS  30           3HZ      LYS  30  -5.729  -6.996   3.114
  277    HZ2  LYS  30           1HZ      LYS  30  -4.795  -6.088   4.199
  278    HZ3  LYS  30           2HZ      LYS  30  -4.679  -5.793   2.530
  279    H    THR  31           H        THR  31  -2.436  -4.497   4.643
  280    HA   THR  31           HA       THR  31  -2.746  -5.492   7.305
  281    HB   THR  31           HB       THR  31  -1.375  -7.433   5.850
  282    HG1  THR  31           1HG      THR  31  -3.157  -5.994   4.181
  283   HG21  THR  31          31HG      THR  31  -3.646  -8.410   5.571
  284   HG22  THR  31          1HG2      THR  31  -4.344  -6.869   6.066
  285   HG23  THR  31          2HG2      THR  31  -3.374  -7.803   7.205
  286    H    CYS  32           H        CYS  32   0.054  -4.945   5.177
  287    HA   CYS  32           HA       CYS  32   2.008  -5.877   7.003
  288    HB2  CYS  32           2HB      CYS  32   2.047  -4.188   4.534
  289    HB3  CYS  32           1HB      CYS  32   3.483  -4.237   5.555
  290    H    GLY  33           H        GLY  33  -0.031  -3.257   7.200
  291    HA2  GLY  33           2HA      GLY  33  -0.169  -1.636   8.851
  292    HA3  GLY  33           1HA      GLY  33   1.398  -2.164   9.457
  293    H    THR  34           H        THR  34   1.042  -1.414   6.086
  294    HA   THR  34           HA       THR  34   3.010   0.691   6.327
  295    HB   THR  34           HB       THR  34   2.351  -1.082   4.327
  296    HG1  THR  34           1HG      THR  34   3.692   0.739   3.151
  297   HG21  THR  34          31HG      THR  34   1.444   1.684   3.460
  298   HG22  THR  34          1HG2      THR  34   0.394   0.279   3.664
  299   HG23  THR  34          2HG2      THR  34   1.637   0.287   2.407
  300    H    CYS  35           H        CYS  35  -0.452   0.471   5.735
  301    HA   CYS  35           HA       CYS  35  -0.580   3.426   5.741
  302    HB2  CYS  35           2HB      CYS  35  -1.409   2.184   3.681
  303    HB3  CYS  35           1HB      CYS  35  -2.714   1.565   4.696
  304    HN1  NH2  36           H2       NH2  36  -2.475   3.462   8.678
  305    HN2  NH2  36           H1       NH2  36  -1.368   4.247   7.658
  Start of MODEL    8
    1    HA   PFX   0           HA       PFX   0 -11.828  17.641  -1.641
    2    H1N  PFX   0           H1N      PFX   0 -10.410  15.454  -0.525
    3    H2N  PFX   0           H2N      PFX   0 -11.635  16.406   0.167
    4    H3N  PFX   0           H3N      PFX   0 -10.010  16.890   0.284
    5    H1B  PFX   0           1HB      PFX   0  -9.765  18.711  -2.646
    6    H2B  PFX   0           2HB      PFX   0  -8.808  17.833  -1.453
    7    HD1  PFX   0           HD1      PFX   0 -11.586  20.289  -1.833
    8    HD2  PFX   0           HD2      PFX   0  -8.625  18.618   0.783
    9    HE1  PFX   0           HE1      PFX   0 -12.080  22.044  -0.157
   10    HE2  PFX   0           HE2      PFX   0  -9.117  20.372   2.462
   11    HNH  PFX   0           HNH      PFX   0 -10.238  14.727  -1.518
   12    H11  PFX   0          1HNH      PFX   0 -10.183  14.421  -4.458
   13    H21  PFX   0          2HNH      PFX   0 -11.064  13.273  -3.453
   14    H12  PFX   0           1H2      PFX   0  -8.080  13.793  -3.451
   15    H22  PFX   0           2H2      PFX   0  -8.906  12.307  -3.923
   16    H14  PFX   0           1H4      PFX   0  -7.019  12.308  -1.028
   17    H24  PFX   0           2H4      PFX   0  -7.305  11.520  -2.580
   18    H15  PFX   0           1H5      PFX   0  -8.365  10.764   0.140
   19    H25  PFX   0           2H5      PFX   0  -7.510   9.757  -1.031
   20    H17  PFX   0           1H7      PFX   0  -8.472   9.745  -3.244
   21    H27  PFX   0           2H7      PFX   0 -10.200   9.398  -3.309
   22    H    ARG   1           H        ARG   1  -7.073   8.252  -2.517
   23    HA   ARG   1           HA       ARG   1  -8.029   5.657  -3.294
   24    HB2  ARG   1           2HB      ARG   1  -5.797   6.823  -3.926
   25    HB3  ARG   1           1HB      ARG   1  -5.226   6.222  -2.369
   26    HG2  ARG   1           2HG      ARG   1  -4.667   4.422  -3.712
   27    HG3  ARG   1           1HG      ARG   1  -6.301   3.953  -3.245
   28    HD2  ARG   1           2HD      ARG   1  -7.197   4.904  -5.313
   29    HD3  ARG   1           1HD      ARG   1  -5.593   5.467  -5.773
   30    HE   ARG   1           HE       ARG   1  -5.037   3.280  -6.377
   31   HH11  ARG   1          1HH2      ARG   1  -8.031   3.413  -4.640
   32   HH12  ARG   1          2HH2      ARG   1  -8.464   1.772  -4.989
   33   HH21  ARG   1          1HH1      ARG   1  -5.602   1.130  -6.836
   34   HH22  ARG   1          2HH1      ARG   1  -7.091   0.481  -6.234
   35    H    SER   2           H        SER   2  -6.802   7.115  -0.328
   36    HA   SER   2           HA       SER   2  -6.585   6.294   1.814
   37    HB2  SER   2           2HB      SER   2  -8.780   4.399   1.676
   38    HB3  SER   2           1HB      SER   2  -8.647   5.893   2.600
   39    HG   SER   2           HG       SER   2  -9.651   5.440   0.024
   40    H    CYS   3           H        CYS   3  -6.894   3.987   3.079
   41    HA   CYS   3           HA       CYS   3  -4.846   2.317   1.892
   42    HB2  CYS   3           2HB      CYS   3  -6.380   1.835   4.453
   43    HB3  CYS   3           1HB      CYS   3  -4.815   1.165   3.995
   44    H    ILE   4           H        ILE   4  -5.631   1.191   0.174
   45    HA   ILE   4           HA       ILE   4  -7.501  -0.966   0.770
   46    HB   ILE   4           HB       ILE   4  -8.500  -0.212  -1.650
   47   HG12  ILE   4          2HG1      ILE   4  -7.982   2.324  -0.062
   48   HG13  ILE   4          1HG1      ILE   4  -7.214   1.907  -1.595
   49   HG21  ILE   4          1HG2      ILE   4 -10.393   0.787  -0.241
   50   HG22  ILE   4          2HG2      ILE   4  -9.378   0.462   1.164
   51   HG23  ILE   4          31HG      ILE   4  -9.926  -0.869   0.145
   52   HD11  ILE   4          3HD1      ILE   4 -10.057   1.620  -1.884
   53   HD12  ILE   4          1HD1      ILE   4  -8.975   2.726  -2.730
   54   HD13  ILE   4          2HD1      ILE   4  -9.711   3.211  -1.204
   55    H    ASP   5           H        ASP   5  -7.345  -2.712  -0.695
   56    HA   ASP   5           HA       ASP   5  -5.253  -2.506  -2.757
   57    HB2  ASP   5           2HB      ASP   5  -4.417  -4.766  -1.974
   58    HB3  ASP   5           1HB      ASP   5  -4.056  -3.415  -0.903
   59    H    THR   6           H        THR   6  -5.185  -4.505  -4.112
   60    HA   THR   6           HA       THR   6  -7.902  -5.614  -4.516
   61    HB   THR   6           HB       THR   6  -7.460  -5.640  -6.895
   62    HG1  THR   6           1HG      THR   6  -5.513  -5.389  -7.678
   63   HG21  THR   6          31HG      THR   6  -8.121  -3.495  -6.979
   64   HG22  THR   6          1HG2      THR   6  -6.464  -2.967  -6.685
   65   HG23  THR   6          2HG2      THR   6  -7.549  -3.263  -5.327
   66    H    ILE   7           H        ILE   7  -5.406  -6.450  -3.023
   67    HA   ILE   7           HA       ILE   7  -4.535  -8.836  -4.438
   68    HB   ILE   7           HB       ILE   7  -3.075  -7.244  -3.067
   69   HG12  ILE   7          2HG1      ILE   7  -3.054 -10.227  -2.517
   70   HG13  ILE   7          1HG1      ILE   7  -2.241  -9.400  -3.847
   71   HG21  ILE   7          1HG2      ILE   7  -4.826  -7.400  -1.141
   72   HG22  ILE   7          2HG2      ILE   7  -3.113  -7.375  -0.727
   73   HG23  ILE   7          31HG      ILE   7  -3.997  -8.901  -0.731
   74   HD11  ILE   7          3HD1      ILE   7  -1.213  -9.911  -1.257
   75   HD12  ILE   7          1HD1      ILE   7  -1.482  -8.172  -1.352
   76   HD13  ILE   7          2HD1      ILE   7  -0.459  -8.971  -2.543
   77    HA   PRO   8           HA       PRO   8  -7.540 -11.387  -2.329
   78    HB2  PRO   8           2HB      PRO   8  -6.267 -13.809  -2.795
   79    HB3  PRO   8           1HB      PRO   8  -7.388 -13.019  -3.916
   80    HG2  PRO   8           2HG      PRO   8  -4.451 -13.193  -3.999
   81    HG3  PRO   8           1HG      PRO   8  -5.616 -13.013  -5.318
   82    HD2  PRO   8           2HD      PRO   8  -4.018 -10.966  -4.341
   83    HD3  PRO   8           1HD      PRO   8  -5.526 -10.726  -5.248
   84    H    LYS   9           H        LYS   9  -6.395 -10.153  -0.507
   85    HA   LYS   9           HA       LYS   9  -4.869 -10.199   1.343
   86    HB2  LYS   9           2HB      LYS   9  -7.201 -12.011   1.988
   87    HB3  LYS   9           1HB      LYS   9  -6.247 -11.079   3.142
   88    HG2  LYS   9           2HG      LYS   9  -8.186  -9.759   2.744
   89    HG3  LYS   9           1HG      LYS   9  -6.914  -9.006   1.781
   90    HD2  LYS   9           2HD      LYS   9  -8.007  -9.430  -0.146
   91    HD3  LYS   9           1HD      LYS   9  -8.265 -11.118   0.298
   92    HE2  LYS   9           2HE      LYS   9 -10.303 -10.668   1.338
   93    HE3  LYS   9           1HE      LYS   9  -9.899  -8.974   1.620
   94    HZ1  LYS   9           3HZ      LYS   9 -11.087 -10.213  -0.685
   95    HZ2  LYS   9           1HZ      LYS   9  -9.798  -9.181  -1.071
   96    HZ3  LYS   9           2HZ      LYS   9 -11.123  -8.590  -0.185
   97    H    SER  10           H        SER  10  -6.105 -13.510   0.859
   98    HA   SER  10           HA       SER  10  -4.178 -14.832   2.386
   99    HB2  SER  10           2HB      SER  10  -5.869 -15.670   0.054
  100    HB3  SER  10           1HB      SER  10  -4.669 -16.774   0.722
  101    HG   SER  10           HG       SER  10  -5.767 -16.873   2.567
  102    H    ARG  11           H        ARG  11  -3.412 -12.848  -0.052
  103    HA   ARG  11           HA       ARG  11  -1.266 -14.526  -1.154
  104    HB2  ARG  11           2HB      ARG  11  -3.026 -12.777  -2.375
  105    HB3  ARG  11           1HB      ARG  11  -1.543 -11.833  -2.246
  106    HG2  ARG  11           2HG      ARG  11  -0.349 -13.928  -3.157
  107    HG3  ARG  11           1HG      ARG  11  -1.958 -14.488  -3.612
  108    HD2  ARG  11           2HD      ARG  11  -2.184 -12.920  -5.271
  109    HD3  ARG  11           1HD      ARG  11  -1.272 -11.700  -4.390
  110    HE   ARG  11           HE       ARG  11   0.735 -12.626  -5.254
  111   HH11  ARG  11          1HH2      ARG  11  -2.131 -14.300  -6.241
  112   HH12  ARG  11          2HH2      ARG  11  -1.353 -15.149  -7.535
  113   HH21  ARG  11          1HH1      ARG  11   1.759 -13.736  -6.948
  114   HH22  ARG  11          2HH1      ARG  11   0.847 -14.829  -7.936
  115    H    CYS  12           H        CYS  12  -1.855 -11.726   0.854
  116    HA   CYS  12           HA       CYS  12   0.921 -10.858   0.760
  117    HB2  CYS  12           2HB      CYS  12  -1.031  -9.266   0.956
  118    HB3  CYS  12           1HB      CYS  12  -1.271  -9.871   2.594
  119    H    THR  13           H        THR  13   2.291 -12.234   1.727
  120    HA   THR  13           HA       THR  13   1.665 -13.093   4.492
  121    HB   THR  13           HB       THR  13   2.825 -15.091   4.138
  122    HG1  THR  13           1HG      THR  13   4.306 -13.519   2.547
  123   HG21  THR  13          31HG      THR  13   0.755 -14.522   2.516
  124   HG22  THR  13          1HG2      THR  13   1.595 -16.072   2.474
  125   HG23  THR  13          2HG2      THR  13   1.995 -14.820   1.297
  126    H    ALA  14           H        ALA  14   3.436 -13.136   5.999
  127    HA   ALA  14           HA       ALA  14   4.973 -10.824   6.094
  128    HB1  ALA  14           1HB      ALA  14   4.466 -12.600   7.937
  129    HB2  ALA  14           2HB      ALA  14   5.993 -11.721   7.996
  130    HB3  ALA  14           3HB      ALA  14   5.947 -13.367   7.365
  131    H    PHE  15           H        PHE  15   5.382 -13.553   4.140
  132    HA   PHE  15           HA       PHE  15   8.266 -13.259   3.838
  133    HB2  PHE  15           2HB      PHE  15   8.075 -15.431   3.317
  134    HB3  PHE  15           1HB      PHE  15   6.319 -15.309   3.327
  135    HD1  PHE  15           2HD      PHE  15   9.163 -14.174   1.140
  136    HD2  PHE  15           1HD      PHE  15   5.253 -15.935   1.364
  137    HE1  PHE  15           2HE      PHE  15   9.128 -14.406  -1.328
  138    HE2  PHE  15           1HE      PHE  15   5.218 -16.170  -1.103
  139    HZ   PHE  15           HZ       PHE  15   7.155 -15.405  -2.451
  140    H    GLN  16           H        GLN  16   5.313 -12.708   1.944
  141    HA   GLN  16           HA       GLN  16   6.628 -11.813  -0.408
  142    HB2  GLN  16           2HB      GLN  16   4.043 -12.420   0.272
  143    HB3  GLN  16           1HB      GLN  16   3.982 -10.663   0.133
  144    HG2  GLN  16           2HG      GLN  16   3.512 -11.690  -2.038
  145    HG3  GLN  16           1HG      GLN  16   5.043 -10.820  -2.103
  146   HE21  GLN  16          1HE2      GLN  16   3.579 -14.038  -2.128
  147   HE22  GLN  16          2HE2      GLN  16   4.997 -14.872  -2.546
  148    H    CYS  17           H        CYS  17   5.233 -10.110   2.378
  149    HA   CYS  17           HA       CYS  17   5.707  -7.486   1.463
  150    HB2  CYS  17           2HB      CYS  17   4.480  -8.596   3.649
  151    HB3  CYS  17           1HB      CYS  17   5.928  -7.887   4.365
  152    H    LYS  18           H        LYS  18   7.915  -9.857   2.086
  153    HA   LYS  18           HA       LYS  18   9.991  -7.919   2.918
  154    HB2  LYS  18           2HB      LYS  18   9.786 -10.909   3.317
  155    HB3  LYS  18           1HB      LYS  18  11.269  -9.999   3.595
  156    HG2  LYS  18           2HG      LYS  18   9.986  -8.524   5.176
  157    HG3  LYS  18           1HG      LYS  18   8.611  -9.614   4.993
  158    HD2  LYS  18           2HD      LYS  18   9.638 -11.332   6.145
  159    HD3  LYS  18           1HD      LYS  18  11.260 -10.810   5.688
  160    HE2  LYS  18           2HE      LYS  18  11.050  -8.865   7.209
  161    HE3  LYS  18           1HE      LYS  18   9.449  -9.428   7.691
  162    HZ1  LYS  18           3HZ      LYS  18  10.511 -11.529   8.400
  163    HZ2  LYS  18           1HZ      LYS  18  11.034 -10.182   9.287
  164    HZ3  LYS  18           2HZ      LYS  18  12.031 -10.841   8.079
  165    H    HIS  19           H        HIS  19   9.120 -10.514   0.718
  166    HA   HIS  19           HA       HIS  19  11.599 -10.204  -0.793
  167    HB2  HIS  19           2HB      HIS  19   9.231 -12.036  -1.235
  168    HB3  HIS  19           1HB      HIS  19  10.764 -12.102  -2.106
  169    HD1  HIS  19           1HD      HIS  19  10.094 -11.721   1.633
  170    HD2  HIS  19           2HD      HIS  19  12.077 -14.272  -1.002
  171    HE1  HIS  19           1HE      HIS  19  11.309 -13.421   3.061
  172    HE2  HIS  19           2HE      HIS  19  12.534 -14.977   1.470
  173    H    SER  20           H        SER  20   8.523  -8.847  -0.701
  174    HA   SER  20           HA       SER  20   8.879  -7.761  -3.422
  175    HB2  SER  20           2HB      SER  20   6.748  -9.468  -2.534
  176    HB3  SER  20           1HB      SER  20   6.096  -7.873  -2.898
  177    HG   SER  20           HG       SER  20   7.939  -9.116  -4.631
  178    H    NLE  21           H        NLE  21   9.243  -5.649  -3.148
  179    HA   NLE  21           HA       NLE  21   8.378  -4.216  -0.821
  180    HB2  NLE  21           1HB      NLE  21  10.417  -3.841  -2.530
  181    HB3  NLE  21           2HB      NLE  21   9.762  -2.550  -1.529
  182    HG2  NLE  21           1HG      NLE  21  10.001  -1.800  -3.855
  183    HG3  NLE  21           2HG      NLE  21   8.299  -1.846  -3.409
  184    HD2  NLE  21           1HD      NLE  21   7.978  -3.144  -5.234
  185    HD3  NLE  21           2HD      NLE  21   8.842  -4.420  -4.377
  186    HE1  NLE  21           3HE      NLE  21  10.988  -3.510  -5.272
  187    HE2  NLE  21           1HE      NLE  21  10.066  -2.330  -6.204
  188    HE3  NLE  21           2HE      NLE  21   9.899  -4.051  -6.549
  189    H    LYS  22           H        LYS  22   7.059  -4.781  -3.970
  190    HA   LYS  22           HA       LYS  22   5.284  -2.551  -4.085
  191    HB2  LYS  22           2HB      LYS  22   3.996  -4.399  -5.556
  192    HB3  LYS  22           1HB      LYS  22   5.378  -3.489  -6.163
  193    HG2  LYS  22           2HG      LYS  22   6.835  -5.272  -5.927
  194    HG3  LYS  22           1HG      LYS  22   5.898  -6.001  -4.620
  195    HD2  LYS  22           2HD      LYS  22   4.184  -6.719  -6.184
  196    HD3  LYS  22           1HD      LYS  22   4.998  -5.888  -7.511
  197    HE2  LYS  22           2HE      LYS  22   5.546  -8.515  -6.373
  198    HE3  LYS  22           1HE      LYS  22   6.116  -7.813  -7.887
  199    HZ1  LYS  22           3HZ      LYS  22   7.985  -6.992  -6.919
  200    HZ2  LYS  22           1HZ      LYS  22   7.758  -8.351  -5.930
  201    HZ3  LYS  22           2HZ      LYS  22   7.268  -6.818  -5.388
  202    H    TYR  23           H        TYR  23   5.401  -5.134  -1.999
  203    HA   TYR  23           HA       TYR  23   2.501  -5.277  -1.636
  204    HB2  TYR  23           2HB      TYR  23   4.853  -6.834  -0.611
  205    HB3  TYR  23           1HB      TYR  23   3.337  -6.871   0.289
  206    HD1  TYR  23           1HD      TYR  23   4.179  -6.801  -3.372
  207    HD2  TYR  23           2HD      TYR  23   2.150  -8.824  -0.171
  208    HE1  TYR  23           1HE      TYR  23   3.258  -8.441  -4.990
  209    HE2  TYR  23           2HE      TYR  23   1.230 -10.461  -1.786
  210    HH   TYR  23           HH       TYR  23   2.244 -10.481  -5.161
  211    H    ARG  24           H        ARG  24   5.443  -4.203  -0.019
  212    HA   ARG  24           HA       ARG  24   4.261  -3.407   2.432
  213    HB2  ARG  24           2HB      ARG  24   6.868  -3.153   1.093
  214    HB3  ARG  24           1HB      ARG  24   6.486  -1.841   2.207
  215    HG2  ARG  24           2HG      ARG  24   5.878  -3.593   3.920
  216    HG3  ARG  24           1HG      ARG  24   6.523  -4.806   2.816
  217    HD2  ARG  24           2HD      ARG  24   7.955  -2.842   4.493
  218    HD3  ARG  24           1HD      ARG  24   8.483  -4.411   3.895
  219    HE   ARG  24           HE       ARG  24   8.379  -2.071   2.089
  220   HH11  ARG  24          1HH2      ARG  24  10.089  -4.651   3.667
  221   HH12  ARG  24          2HH2      ARG  24  11.506  -4.482   2.689
  222   HH21  ARG  24          1HH1      ARG  24  10.241  -1.854   0.818
  223   HH22  ARG  24          2HH1      ARG  24  11.592  -2.906   1.078
  224    H    LEU  25           H        LEU  25   3.745  -2.092  -0.601
  225    HA   LEU  25           HA       LEU  25   2.539   0.258   0.526
  226    HB2  LEU  25           2HB      LEU  25   3.935   1.907  -0.683
  227    HB3  LEU  25           1HB      LEU  25   4.841   1.038   0.555
  228    HG   LEU  25           HG       LEU  25   4.889  -0.350  -2.012
  229   HD11  LEU  25          1HD1      LEU  25   4.756   1.930  -2.916
  230   HD12  LEU  25          2HD1      LEU  25   6.383   1.284  -3.134
  231   HD13  LEU  25          3HD1      LEU  25   6.060   2.445  -1.847
  232   HD21  LEU  25          31HD      LEU  25   7.056   0.808  -0.227
  233   HD22  LEU  25          1HD2      LEU  25   7.306  -0.366  -1.520
  234   HD23  LEU  25          2HD2      LEU  25   6.379  -0.814  -0.087
  235    H    SER  26           H        SER  26   1.609  -1.876  -1.132
  236    HA   SER  26           HA       SER  26   0.397  -0.291  -3.209
  237    HB2  SER  26           2HB      SER  26   2.757  -1.569  -3.935
  238    HB3  SER  26           1HB      SER  26   1.490  -2.649  -4.507
  239    HG   SER  26           HG       SER  26   1.148  -1.260  -6.029
  240    H    PHE  27           H        PHE  27   1.048  -3.684  -2.332
  241    HA   PHE  27           HA       PHE  27  -1.782  -4.270  -2.875
  242    HB2  PHE  27           2HB      PHE  27   0.603  -6.080  -2.512
  243    HB3  PHE  27           1HB      PHE  27  -1.038  -6.635  -2.834
  244    HD1  PHE  27           1HD      PHE  27  -2.254  -5.483  -4.887
  245    HD2  PHE  27           2HD      PHE  27   2.001  -5.595  -4.303
  246    HE1  PHE  27           1HE      PHE  27  -1.909  -5.045  -7.302
  247    HE2  PHE  27           2HE      PHE  27   2.341  -5.159  -6.711
  248    HZ   PHE  27           HZ       PHE  27   0.390  -4.883  -8.218
  249    H    CYS  28           H        CYS  28   0.509  -4.175  -0.217
  250    HA   CYS  28           HA       CYS  28  -1.595  -5.278   1.546
  251    HB2  CYS  28           2HB      CYS  28   1.344  -5.015   2.199
  252    HB3  CYS  28           1HB      CYS  28   0.117  -5.903   3.096
  253    H    ARG  29           H        ARG  29  -2.340  -2.895   1.054
  254    HA   ARG  29           HA       ARG  29  -1.043  -0.804   2.521
  255    HB2  ARG  29           2HB      ARG  29  -3.949  -0.693   1.805
  256    HB3  ARG  29           1HB      ARG  29  -2.737   0.585   1.766
  257    HG2  ARG  29           2HG      ARG  29  -1.680  -1.153  -0.041
  258    HG3  ARG  29           1HG      ARG  29  -3.403  -1.447  -0.275
  259    HD2  ARG  29           2HD      ARG  29  -2.488   0.380  -1.732
  260    HD3  ARG  29           1HD      ARG  29  -3.816   0.893  -0.698
  261    HE   ARG  29           HE       ARG  29  -1.738   1.567   0.828
  262   HH11  ARG  29          1HH2      ARG  29  -2.259   1.891  -2.574
  263   HH12  ARG  29          2HH2      ARG  29  -1.283   3.313  -2.729
  264   HH21  ARG  29          1HH1      ARG  29  -0.456   3.431   0.637
  265   HH22  ARG  29          2HH1      ARG  29  -0.262   4.186  -0.910
  266    H    LYS  30           H        LYS  30  -1.803  -3.315   4.003
  267    HA   LYS  30           HA       LYS  30  -2.798  -1.999   6.370
  268    HB2  LYS  30           2HB      LYS  30  -4.614  -3.992   6.442
  269    HB3  LYS  30           1HB      LYS  30  -4.981  -2.373   5.850
  270    HG2  LYS  30           2HG      LYS  30  -5.785  -3.899   4.189
  271    HG3  LYS  30           1HG      LYS  30  -4.305  -3.206   3.534
  272    HD2  LYS  30           2HD      LYS  30  -3.224  -5.200   3.570
  273    HD3  LYS  30           1HD      LYS  30  -3.860  -5.614   5.162
  274    HE2  LYS  30           2HE      LYS  30  -6.078  -6.094   4.057
  275    HE3  LYS  30           1HE      LYS  30  -5.276  -5.896   2.501
  276    HZ1  LYS  30           3HZ      LYS  30  -3.853  -7.709   2.954
  277    HZ2  LYS  30           1HZ      LYS  30  -5.419  -8.230   3.343
  278    HZ3  LYS  30           2HZ      LYS  30  -4.340  -7.791   4.581
  279    H    THR  31           H        THR  31  -1.959  -4.995   4.724
  280    HA   THR  31           HA       THR  31  -1.616  -6.611   7.018
  281    HB   THR  31           HB       THR  31   0.242  -7.208   4.844
  282    HG1  THR  31           1HG      THR  31  -1.981  -7.756   3.690
  283   HG21  THR  31          31HG      THR  31  -2.214  -8.764   5.605
  284   HG22  THR  31          1HG2      THR  31  -0.839  -8.686   6.706
  285   HG23  THR  31          2HG2      THR  31  -0.637  -9.361   5.090
  286    H    CYS  32           H        CYS  32   0.617  -4.574   5.174
  287    HA   CYS  32           HA       CYS  32   2.713  -5.025   7.182
  288    HB2  CYS  32           2HB      CYS  32   2.647  -4.281   4.352
  289    HB3  CYS  32           1HB      CYS  32   3.736  -3.275   5.306
  290    H    GLY  33           H        GLY  33   0.153  -3.312   7.389
  291    HA2  GLY  33           2HA      GLY  33  -0.464  -1.201   8.123
  292    HA3  GLY  33           1HA      GLY  33   0.939  -1.404   9.170
  293    H    THR  34           H        THR  34   1.012  -1.199   5.655
  294    HA   THR  34           HA       THR  34   2.906   1.008   5.825
  295    HB   THR  34           HB       THR  34   3.500  -0.620   4.219
  296    HG1  THR  34           1HG      THR  34   2.559   1.798   3.351
  297   HG21  THR  34          31HG      THR  34   1.409  -0.699   2.342
  298   HG22  THR  34          1HG2      THR  34   0.632  -0.841   3.918
  299   HG23  THR  34          2HG2      THR  34   1.889  -1.984   3.450
  300    H    CYS  35           H        CYS  35  -0.314   0.929   6.052
  301    HA   CYS  35           HA       CYS  35  -0.584   3.645   5.010
  302    HB2  CYS  35           2HB      CYS  35  -1.241   2.118   3.136
  303    HB3  CYS  35           1HB      CYS  35  -2.512   1.469   4.172
  304    HN1  NH2  36           H2       NH2  36  -2.665   2.023   8.066
  305    HN2  NH2  36           H1       NH2  36  -1.520   1.123   7.195
  Start of MODEL    9
    1    HA   PFX   0           HA       PFX   0 -12.045  16.971  -5.120
    2    H1N  PFX   0           H1N      PFX   0 -11.674  14.496  -4.654
    3    H2N  PFX   0           H2N      PFX   0 -13.269  15.045  -4.858
    4    H3N  PFX   0           H3N      PFX   0 -12.666  14.739  -3.300
    5    H1B  PFX   0           1HB      PFX   0 -13.070  18.223  -3.533
    6    H2B  PFX   0           2HB      PFX   0 -12.265  17.369  -2.216
    7    HD1  PFX   0           HD1      PFX   0 -13.635  16.143  -0.795
    8    HD2  PFX   0           HD2      PFX   0 -14.794  16.633  -4.898
    9    HE1  PFX   0           HE1      PFX   0 -15.711  14.863  -0.361
   10    HE2  PFX   0           HE2      PFX   0 -16.870  15.354  -4.467
   11    HNH  PFX   0           HNH      PFX   0 -10.033  14.988  -4.926
   12    H11  PFX   0          1HNH      PFX   0  -8.509  15.535  -2.471
   13    H21  PFX   0          2HNH      PFX   0  -7.666  15.612  -4.016
   14    H12  PFX   0           1H2      PFX   0  -8.098  13.288  -4.458
   15    H22  PFX   0           2H2      PFX   0  -9.212  13.176  -3.097
   16    H14  PFX   0           1H4      PFX   0  -6.156  11.534  -2.171
   17    H24  PFX   0           2H4      PFX   0  -7.646  11.323  -3.090
   18    H15  PFX   0           1H5      PFX   0  -8.803  12.257  -0.935
   19    H25  PFX   0           2H5      PFX   0  -7.297  11.801  -0.139
   20    H17  PFX   0           1H7      PFX   0 -10.411   9.967  -0.515
   21    H27  PFX   0           2H7      PFX   0  -9.494  10.848   0.708
   22    H    ARG   1           H        ARG   1  -8.805   7.767  -0.923
   23    HA   ARG   1           HA       ARG   1  -8.446   6.558   1.755
   24    HB2  ARG   1           2HB      ARG   1 -10.158   5.694  -0.251
   25    HB3  ARG   1           1HB      ARG   1  -8.744   4.658  -0.440
   26    HG2  ARG   1           2HG      ARG   1  -8.861   3.948   1.858
   27    HG3  ARG   1           1HG      ARG   1 -10.098   5.151   2.223
   28    HD2  ARG   1           2HD      ARG   1 -11.770   3.902   1.308
   29    HD3  ARG   1           1HD      ARG   1 -10.750   3.316  -0.002
   30    HE   ARG   1           HE       ARG   1 -10.094   2.212   2.597
   31   HH11  ARG   1          1HH2      ARG   1 -12.007   1.970  -0.276
   32   HH12  ARG   1          2HH2      ARG   1 -12.277   0.266  -0.118
   33   HH21  ARG   1          1HH1      ARG   1 -10.447  -0.022   2.812
   34   HH22  ARG   1          2HH1      ARG   1 -11.397  -0.860   1.631
   35    H    SER   2           H        SER   2  -6.438   5.891   2.226
   36    HA   SER   2           HA       SER   2  -4.489   5.714   0.008
   37    HB2  SER   2           2HB      SER   2  -4.358   7.388   2.149
   38    HB3  SER   2           1HB      SER   2  -3.466   5.999   2.760
   39    HG   SER   2           HG       SER   2  -2.557   6.227   0.399
   40    H    CYS   3           H        CYS   3  -6.174   3.960   2.312
   41    HA   CYS   3           HA       CYS   3  -4.156   1.806   2.323
   42    HB2  CYS   3           2HB      CYS   3  -6.484   2.267   4.202
   43    HB3  CYS   3           1HB      CYS   3  -5.320   0.945   4.310
   44    H    ILE   4           H        ILE   4  -4.625   0.714   0.454
   45    HA   ILE   4           HA       ILE   4  -7.274  -0.574   0.349
   46    HB   ILE   4           HB       ILE   4  -6.501  -0.150  -2.323
   47   HG12  ILE   4          2HG1      ILE   4  -6.371   2.421  -0.715
   48   HG13  ILE   4          1HG1      ILE   4  -4.960   1.609  -1.394
   49   HG21  ILE   4          1HG2      ILE   4  -8.530   1.310  -2.325
   50   HG22  ILE   4          2HG2      ILE   4  -8.550   1.231  -0.563
   51   HG23  ILE   4          31HG      ILE   4  -8.802  -0.232  -1.514
   52   HD11  ILE   4          3HD1      ILE   4  -7.181   3.045  -2.801
   53   HD12  ILE   4          1HD1      ILE   4  -6.380   1.708  -3.626
   54   HD13  ILE   4          2HD1      ILE   4  -5.443   3.106  -3.100
   55    H    ASP   5           H        ASP   5  -6.886  -1.939  -2.036
   56    HA   ASP   5           HA       ASP   5  -4.392  -3.384  -2.007
   57    HB2  ASP   5           2HB      ASP   5  -5.485  -5.587  -1.493
   58    HB3  ASP   5           1HB      ASP   5  -5.397  -4.490  -0.116
   59    H    THR   6           H        THR   6  -4.462  -5.219  -3.615
   60    HA   THR   6           HA       THR   6  -6.529  -4.814  -5.682
   61    HB   THR   6           HB       THR   6  -4.559  -5.172  -7.344
   62    HG1  THR   6           1HG      THR   6  -3.224  -4.130  -5.070
   63   HG21  THR   6          31HG      THR   6  -5.907  -3.090  -7.077
   64   HG22  THR   6          1HG2      THR   6  -4.220  -2.763  -7.478
   65   HG23  THR   6          2HG2      THR   6  -4.787  -2.564  -5.821
   66    H    ILE   7           H        ILE   7  -5.042  -6.904  -3.637
   67    HA   ILE   7           HA       ILE   7  -5.906  -9.219  -5.205
   68    HB   ILE   7           HB       ILE   7  -3.767 -10.417  -4.571
   69   HG12  ILE   7          2HG1      ILE   7  -2.637  -7.643  -4.278
   70   HG13  ILE   7          1HG1      ILE   7  -3.221  -8.532  -2.871
   71   HG21  ILE   7          1HG2      ILE   7  -4.383  -8.907  -6.780
   72   HG22  ILE   7          2HG2      ILE   7  -2.950  -9.924  -6.635
   73   HG23  ILE   7          31HG      ILE   7  -2.846  -8.200  -6.279
   74   HD11  ILE   7          3HD1      ILE   7  -0.973  -9.160  -2.910
   75   HD12  ILE   7          1HD1      ILE   7  -0.897  -9.150  -4.672
   76   HD13  ILE   7          2HD1      ILE   7  -1.714 -10.468  -3.832
   77    HA   PRO   8           HA       PRO   8  -7.691 -10.703  -1.467
   78    HB2  PRO   8           2HB      PRO   8  -6.119 -13.197  -1.974
   79    HB3  PRO   8           1HB      PRO   8  -7.848 -13.003  -1.629
   80    HG2  PRO   8           2HG      PRO   8  -6.897 -13.482  -4.102
   81    HG3  PRO   8           1HG      PRO   8  -8.369 -12.549  -3.796
   82    HD2  PRO   8           2HD      PRO   8  -5.754 -11.611  -4.780
   83    HD3  PRO   8           1HD      PRO   8  -7.340 -10.814  -4.858
   84    H    LYS   9           H        LYS   9  -7.118 -10.491   0.642
   85    HA   LYS   9           HA       LYS   9  -4.549  -9.754   1.451
   86    HB2  LYS   9           2HB      LYS   9  -6.952 -10.765   2.956
   87    HB3  LYS   9           1HB      LYS   9  -5.446 -10.380   3.790
   88    HG2  LYS   9           2HG      LYS   9  -5.684  -8.133   3.462
   89    HG3  LYS   9           1HG      LYS   9  -6.395  -8.340   1.862
   90    HD2  LYS   9           2HD      LYS   9  -8.129  -7.477   3.287
   91    HD3  LYS   9           1HD      LYS   9  -8.490  -9.182   3.016
   92    HE2  LYS   9           2HE      LYS   9  -8.767  -8.817   5.364
   93    HE3  LYS   9           1HE      LYS   9  -7.229  -9.661   5.180
   94    HZ1  LYS   9           3HZ      LYS   9  -6.166  -7.952   6.069
   95    HZ2  LYS   9           1HZ      LYS   9  -7.661  -7.231   6.414
   96    HZ3  LYS   9           2HZ      LYS   9  -6.858  -6.864   4.963
   97    H    SER  10           H        SER  10  -5.853 -12.879   0.860
   98    HA   SER  10           HA       SER  10  -4.171 -14.393   2.590
   99    HB2  SER  10           2HB      SER  10  -5.069 -16.273   1.562
  100    HB3  SER  10           1HB      SER  10  -6.336 -15.082   1.283
  101    HG   SER  10           HG       SER  10  -5.961 -15.895  -0.692
  102    H    ARG  11           H        ARG  11  -3.136 -12.335   0.406
  103    HA   ARG  11           HA       ARG  11  -1.088 -14.104  -0.771
  104    HB2  ARG  11           2HB      ARG  11  -2.544 -11.778  -1.726
  105    HB3  ARG  11           1HB      ARG  11  -0.800 -11.558  -1.877
  106    HG2  ARG  11           2HG      ARG  11  -2.170 -14.095  -2.778
  107    HG3  ARG  11           1HG      ARG  11  -1.988 -12.703  -3.846
  108    HD2  ARG  11           2HD      ARG  11   0.155 -13.232  -4.251
  109    HD3  ARG  11           1HD      ARG  11   0.519 -13.252  -2.531
  110    HE   ARG  11           HE       ARG  11  -0.393 -15.616  -2.586
  111   HH11  ARG  11          1HH2      ARG  11   0.964 -14.064  -5.382
  112   HH12  ARG  11          2HH2      ARG  11   1.424 -15.548  -6.140
  113   HH21  ARG  11          1HH1      ARG  11   0.208 -17.550  -3.589
  114   HH22  ARG  11          2HH1      ARG  11   0.999 -17.517  -5.129
  115    H    CYS  12           H        CYS  12  -1.593 -11.348   1.321
  116    HA   CYS  12           HA       CYS  12   1.119 -10.490   1.441
  117    HB2  CYS  12           2HB      CYS  12  -1.174  -9.370   2.241
  118    HB3  CYS  12           1HB      CYS  12  -0.672 -10.072   3.780
  119    H    THR  13           H        THR  13   2.552 -12.090   1.898
  120    HA   THR  13           HA       THR  13   2.184 -13.540   4.452
  121    HB   THR  13           HB       THR  13   3.392 -15.359   3.568
  122    HG1  THR  13           1HG      THR  13   4.355 -14.999   1.369
  123   HG21  THR  13          31HG      THR  13   1.753 -16.007   2.174
  124   HG22  THR  13          1HG2      THR  13   2.309 -14.885   0.932
  125   HG23  THR  13          2HG2      THR  13   1.171 -14.343   2.166
  126    H    ALA  14           H        ALA  14   3.885 -13.592   5.919
  127    HA   ALA  14           HA       ALA  14   5.517 -11.369   6.189
  128    HB1  ALA  14           1HB      ALA  14   5.150 -12.826   8.071
  129    HB2  ALA  14           2HB      ALA  14   6.881 -12.814   7.740
  130    HB3  ALA  14           3HB      ALA  14   5.897 -14.185   7.232
  131    H    PHE  15           H        PHE  15   5.699 -13.657   3.814
  132    HA   PHE  15           HA       PHE  15   8.614 -13.425   3.483
  133    HB2  PHE  15           2HB      PHE  15   8.416 -15.603   2.972
  134    HB3  PHE  15           1HB      PHE  15   6.658 -15.495   2.945
  135    HD1  PHE  15           2HD      PHE  15   9.549 -14.292   0.863
  136    HD2  PHE  15           1HD      PHE  15   5.637 -16.061   0.936
  137    HE1  PHE  15           2HE      PHE  15   9.580 -14.457  -1.611
  138    HE2  PHE  15           1HE      PHE  15   5.665 -16.226  -1.539
  139    HZ   PHE  15           HZ       PHE  15   7.638 -15.424  -2.813
  140    H    GLN  16           H        GLN  16   5.546 -12.498   2.096
  141    HA   GLN  16           HA       GLN  16   6.725 -11.582  -0.395
  142    HB2  GLN  16           2HB      GLN  16   3.958 -11.574   0.779
  143    HB3  GLN  16           1HB      GLN  16   4.333 -10.584  -0.632
  144    HG2  GLN  16           2HG      GLN  16   4.828 -13.568  -0.426
  145    HG3  GLN  16           1HG      GLN  16   3.469 -12.827  -1.271
  146   HE21  GLN  16          1HE2      GLN  16   4.037 -11.388  -3.162
  147   HE22  GLN  16          2HE2      GLN  16   5.475 -11.686  -4.013
  148    H    CYS  17           H        CYS  17   5.473 -10.173   2.604
  149    HA   CYS  17           HA       CYS  17   5.709  -7.456   1.811
  150    HB2  CYS  17           2HB      CYS  17   5.037  -8.919   4.214
  151    HB3  CYS  17           1HB      CYS  17   6.111  -7.572   4.593
  152    H    LYS  18           H        LYS  18   8.042  -9.724   2.052
  153    HA   LYS  18           HA       LYS  18  10.120  -7.767   2.849
  154    HB2  LYS  18           2HB      LYS  18   9.769 -10.673   3.427
  155    HB3  LYS  18           1HB      LYS  18  11.408 -10.096   3.144
  156    HG2  LYS  18           2HG      LYS  18   9.924  -8.316   4.915
  157    HG3  LYS  18           1HG      LYS  18  10.008  -9.958   5.545
  158    HD2  LYS  18           2HD      LYS  18  11.958  -8.709   6.314
  159    HD3  LYS  18           1HD      LYS  18  12.473  -9.943   5.165
  160    HE2  LYS  18           2HE      LYS  18  12.701  -8.338   3.403
  161    HE3  LYS  18           1HE      LYS  18  11.878  -7.093   4.343
  162    HZ1  LYS  18           3HZ      LYS  18  14.206  -6.691   4.455
  163    HZ2  LYS  18           1HZ      LYS  18  14.533  -8.295   4.896
  164    HZ3  LYS  18           2HZ      LYS  18  13.718  -7.268   5.976
  165    H    HIS  19           H        HIS  19   9.252 -10.434   0.713
  166    HA   HIS  19           HA       HIS  19  11.615 -10.048  -0.933
  167    HB2  HIS  19           2HB      HIS  19   9.233 -11.884  -1.246
  168    HB3  HIS  19           1HB      HIS  19  10.696 -11.930  -2.233
  169    HD1  HIS  19           1HD      HIS  19  10.363 -11.558   1.548
  170    HD2  HIS  19           2HD      HIS  19  12.031 -14.153  -1.256
  171    HE1  HIS  19           1HE      HIS  19  11.651 -13.298   2.861
  172    HE2  HIS  19           2HE      HIS  19  12.677 -14.886   1.165
  173    H    SER  20           H        SER  20   8.163  -9.367  -1.038
  174    HA   SER  20           HA       SER  20   8.512  -8.116  -3.688
  175    HB2  SER  20           2HB      SER  20   6.007  -8.170  -3.765
  176    HB3  SER  20           1HB      SER  20   6.752  -9.764  -3.685
  177    HG   SER  20           HG       SER  20   5.381  -9.935  -2.068
  178    H    NLE  21           H        NLE  21   8.543  -5.968  -3.821
  179    HA   NLE  21           HA       NLE  21   8.125  -4.366  -1.448
  180    HB2  NLE  21           1HB      NLE  21   8.579  -3.178  -4.155
  181    HB3  NLE  21           2HB      NLE  21   9.886  -4.073  -3.380
  182    HG2  NLE  21           1HG      NLE  21   9.755  -2.627  -1.415
  183    HG3  NLE  21           2HG      NLE  21   8.361  -1.786  -2.094
  184    HD2  NLE  21           1HD      NLE  21   9.860  -1.207  -4.083
  185    HD3  NLE  21           2HD      NLE  21  11.214  -1.774  -3.104
  186    HE1  NLE  21           3HE      NLE  21  10.404  -0.165  -1.297
  187    HE2  NLE  21           1HE      NLE  21   9.330   0.519  -2.516
  188    HE3  NLE  21           2HE      NLE  21  11.078   0.588  -2.742
  189    H    LYS  22           H        LYS  22   6.404  -5.050  -4.436
  190    HA   LYS  22           HA       LYS  22   4.583  -2.880  -4.312
  191    HB2  LYS  22           2HB      LYS  22   3.871  -5.559  -5.469
  192    HB3  LYS  22           1HB      LYS  22   3.386  -3.956  -6.017
  193    HG2  LYS  22           2HG      LYS  22   5.105  -3.998  -7.469
  194    HG3  LYS  22           1HG      LYS  22   6.205  -3.959  -6.090
  195    HD2  LYS  22           2HD      LYS  22   6.378  -6.324  -6.020
  196    HD3  LYS  22           1HD      LYS  22   4.974  -6.540  -7.066
  197    HE2  LYS  22           2HE      LYS  22   6.281  -6.475  -8.895
  198    HE3  LYS  22           1HE      LYS  22   6.916  -4.900  -8.419
  199    HZ1  LYS  22           3HZ      LYS  22   8.526  -6.872  -8.620
  200    HZ2  LYS  22           1HZ      LYS  22   7.892  -7.363  -7.125
  201    HZ3  LYS  22           2HZ      LYS  22   8.659  -5.853  -7.267
  202    H    TYR  23           H        TYR  23   5.042  -4.668  -1.856
  203    HA   TYR  23           HA       TYR  23   2.210  -5.329  -1.325
  204    HB2  TYR  23           2HB      TYR  23   4.790  -6.412  -0.207
  205    HB3  TYR  23           1HB      TYR  23   3.249  -6.654   0.617
  206    HD1  TYR  23           1HD      TYR  23   4.514  -6.790  -2.923
  207    HD2  TYR  23           2HD      TYR  23   2.208  -8.679   0.170
  208    HE1  TYR  23           1HE      TYR  23   3.983  -8.662  -4.461
  209    HE2  TYR  23           2HE      TYR  23   1.676 -10.549  -1.368
  210    HH   TYR  23           HH       TYR  23   2.361 -11.557  -3.337
  211    H    ARG  24           H        ARG  24   5.117  -3.966   0.215
  212    HA   ARG  24           HA       ARG  24   3.782  -2.982   2.515
  213    HB2  ARG  24           2HB      ARG  24   6.451  -2.605   1.253
  214    HB3  ARG  24           1HB      ARG  24   5.929  -1.406   2.436
  215    HG2  ARG  24           2HG      ARG  24   5.461  -3.229   4.054
  216    HG3  ARG  24           1HG      ARG  24   6.053  -4.403   2.877
  217    HD2  ARG  24           2HD      ARG  24   7.577  -2.348   4.434
  218    HD3  ARG  24           1HD      ARG  24   7.978  -4.035   4.125
  219    HE   ARG  24           HE       ARG  24   8.473  -1.772   2.335
  220   HH11  ARG  24          1HH2      ARG  24   8.413  -5.186   2.892
  221   HH12  ARG  24          2HH2      ARG  24   9.463  -5.560   1.567
  222   HH21  ARG  24          1HH1      ARG  24   9.850  -2.256   0.593
  223   HH22  ARG  24          2HH1      ARG  24  10.274  -3.902   0.264
  224    H    LEU  25           H        LEU  25   3.534  -1.965  -0.669
  225    HA   LEU  25           HA       LEU  25   2.152   0.434   0.123
  226    HB2  LEU  25           2HB      LEU  25   3.647   1.855  -1.447
  227    HB3  LEU  25           1HB      LEU  25   4.218   1.520   0.187
  228    HG   LEU  25           HG       LEU  25   5.347  -0.576  -0.921
  229   HD11  LEU  25          1HD1      LEU  25   4.808   1.253  -3.271
  230   HD12  LEU  25          2HD1      LEU  25   4.376  -0.449  -3.112
  231   HD13  LEU  25          3HD1      LEU  25   6.068   0.020  -3.284
  232   HD21  LEU  25          31HD      LEU  25   6.873   0.918  -0.051
  233   HD22  LEU  25          1HD2      LEU  25   6.173   2.292  -0.907
  234   HD23  LEU  25          2HD2      LEU  25   7.207   1.150  -1.768
  235    H    SER  26           H        SER  26   1.290  -1.845  -1.239
  236    HA   SER  26           HA       SER  26   0.219  -0.618  -3.615
  237    HB2  SER  26           2HB      SER  26   2.541  -2.297  -3.844
  238    HB3  SER  26           1HB      SER  26   1.173  -3.056  -4.652
  239    HG   SER  26           HG       SER  26   0.893  -1.193  -5.851
  240    H    PHE  27           H        PHE  27   0.783  -3.890  -2.275
  241    HA   PHE  27           HA       PHE  27  -2.068  -4.476  -2.709
  242    HB2  PHE  27           2HB      PHE  27   0.016  -6.474  -1.862
  243    HB3  PHE  27           1HB      PHE  27  -1.506  -6.759  -2.688
  244    HD1  PHE  27           1HD      PHE  27  -1.165  -4.345  -4.653
  245    HD2  PHE  27           2HD      PHE  27   1.402  -7.599  -3.516
  246    HE1  PHE  27           1HE      PHE  27  -0.001  -4.190  -6.831
  247    HE2  PHE  27           2HE      PHE  27   2.563  -7.440  -5.697
  248    HZ   PHE  27           HZ       PHE  27   1.862  -5.736  -7.355
  249    H    CYS  28           H        CYS  28   0.420  -4.576  -0.169
  250    HA   CYS  28           HA       CYS  28  -1.686  -5.078   1.828
  251    HB2  CYS  28           2HB      CYS  28   1.306  -5.002   2.267
  252    HB3  CYS  28           1HB      CYS  28   0.077  -5.639   3.358
  253    H    ARG  29           H        ARG  29  -2.340  -2.775   1.170
  254    HA   ARG  29           HA       ARG  29  -0.707  -0.636   2.209
  255    HB2  ARG  29           2HB      ARG  29  -3.608  -0.493   1.390
  256    HB3  ARG  29           1HB      ARG  29  -2.443   0.822   1.454
  257    HG2  ARG  29           2HG      ARG  29  -1.708  -1.490  -0.262
  258    HG3  ARG  29           1HG      ARG  29  -3.045  -0.492  -0.833
  259    HD2  ARG  29           2HD      ARG  29  -0.415   0.075  -1.297
  260    HD3  ARG  29           1HD      ARG  29  -1.690   1.289  -1.268
  261    HE   ARG  29           HE       ARG  29  -0.552   0.749   1.332
  262   HH11  ARG  29          1HH2      ARG  29  -0.256   2.520  -1.624
  263   HH12  ARG  29          2HH2      ARG  29   0.595   3.843  -0.900
  264   HH21  ARG  29          1HH1      ARG  29   0.538   2.472   2.288
  265   HH22  ARG  29          2HH1      ARG  29   1.046   3.817   1.319
  266    H    LYS  30           H        LYS  30  -2.001  -2.894   3.934
  267    HA   LYS  30           HA       LYS  30  -2.489  -1.186   6.200
  268    HB2  LYS  30           2HB      LYS  30  -4.769  -2.644   6.474
  269    HB3  LYS  30           1HB      LYS  30  -4.717  -0.992   5.871
  270    HG2  LYS  30           2HG      LYS  30  -5.977  -2.078   4.231
  271    HG3  LYS  30           1HG      LYS  30  -4.367  -2.141   3.530
  272    HD2  LYS  30           2HD      LYS  30  -4.058  -4.416   4.248
  273    HD3  LYS  30           1HD      LYS  30  -5.516  -4.358   5.237
  274    HE2  LYS  30           2HE      LYS  30  -6.938  -4.340   3.354
  275    HE3  LYS  30           1HE      LYS  30  -5.634  -3.864   2.266
  276    HZ1  LYS  30           3HZ      LYS  30  -6.335  -6.274   2.207
  277    HZ2  LYS  30           1HZ      LYS  30  -5.605  -6.435   3.729
  278    HZ3  LYS  30           2HZ      LYS  30  -4.672  -5.978   2.384
  279    H    THR  31           H        THR  31  -2.485  -4.387   4.780
  280    HA   THR  31           HA       THR  31  -2.503  -5.871   7.190
  281    HB   THR  31           HB       THR  31  -0.985  -7.023   4.942
  282    HG1  THR  31           1HG      THR  31  -3.667  -6.895   4.409
  283   HG21  THR  31          31HG      THR  31  -2.369  -8.909   5.410
  284   HG22  THR  31          1HG2      THR  31  -3.565  -7.913   6.239
  285   HG23  THR  31          2HG2      THR  31  -1.988  -8.196   6.978
  286    H    CYS  32           H        CYS  32   0.149  -4.658   5.152
  287    HA   CYS  32           HA       CYS  32   2.192  -5.721   6.878
  288    HB2  CYS  32           2HB      CYS  32   2.144  -4.792   4.284
  289    HB3  CYS  32           1HB      CYS  32   2.978  -3.497   5.143
  290    H    GLY  33           H        GLY  33   0.028  -3.335   7.369
  291    HA2  GLY  33           2HA      GLY  33  -0.112  -1.700   8.990
  292    HA3  GLY  33           1HA      GLY  33   1.477  -2.204   9.557
  293    H    THR  34           H        THR  34   0.957  -1.285   6.226
  294    HA   THR  34           HA       THR  34   2.857   0.908   6.558
  295    HB   THR  34           HB       THR  34   3.103  -0.640   4.653
  296    HG1  THR  34           1HG      THR  34   2.893   2.044   4.537
  297   HG21  THR  34          31HG      THR  34   0.551  -0.930   4.447
  298   HG22  THR  34          1HG2      THR  34   1.475  -0.840   2.947
  299   HG23  THR  34          2HG2      THR  34   0.582   0.570   3.519
  300    H    CYS  35           H        CYS  35  -0.487   0.435   5.475
  301    HA   CYS  35           HA       CYS  35  -2.014   2.089   4.776
  302    HB2  CYS  35           2HB      CYS  35  -1.718   1.536   7.520
  303    HB3  CYS  35           1HB      CYS  35  -2.023   3.257   7.391
  304    HN1  NH2  36           H2       NH2  36  -1.053   5.691   5.671
  305    HN2  NH2  36           H1       NH2  36  -2.207   4.672   6.381
  Start of MODEL   10
    1    HA   PFX   0           HA       PFX   0 -18.295   9.363  -7.334
    2    H1N  PFX   0           H1N      PFX   0 -19.801   7.555  -6.343
    3    H2N  PFX   0           H2N      PFX   0 -20.527   8.906  -7.074
    4    H3N  PFX   0           H3N      PFX   0 -20.431   8.804  -5.382
    5    H1B  PFX   0           1HB      PFX   0 -19.464  11.249  -6.277
    6    H2B  PFX   0           2HB      PFX   0 -17.803  11.158  -5.692
    7    HD1  PFX   0           HD1      PFX   0 -17.336  10.841  -3.385
    8    HD2  PFX   0           HD2      PFX   0 -21.317  10.230  -4.868
    9    HE1  PFX   0           HE1      PFX   0 -18.173  10.649  -1.061
   10    HE2  PFX   0           HE2      PFX   0 -22.154  10.038  -2.548
   11    HNH  PFX   0           HNH      PFX   0 -16.269   8.125  -6.972
   12    H11  PFX   0          1HNH      PFX   0 -16.258   5.792  -6.851
   13    H21  PFX   0          2HNH      PFX   0 -17.541   5.873  -5.647
   14    H12  PFX   0           1H2      PFX   0 -14.869   5.319  -5.134
   15    H22  PFX   0           2H2      PFX   0 -16.068   5.805  -3.935
   16    H14  PFX   0           1H4      PFX   0 -13.991   6.615  -2.866
   17    H24  PFX   0           2H4      PFX   0 -15.377   7.681  -2.642
   18    H15  PFX   0           1H5      PFX   0 -13.947   9.391  -2.342
   19    H25  PFX   0           2H5      PFX   0 -13.435   9.205  -4.019
   20    H17  PFX   0           1H7      PFX   0 -12.140   8.997  -0.684
   21    H27  PFX   0           2H7      PFX   0 -11.770  10.155  -1.962
   22    H    ARG   1           H        ARG   1 -10.690   7.066  -0.692
   23    HA   ARG   1           HA       ARG   1  -8.556   8.451   0.603
   24    HB2  ARG   1           2HB      ARG   1  -9.609   5.654   0.589
   25    HB3  ARG   1           1HB      ARG   1  -8.010   5.949   1.266
   26    HG2  ARG   1           2HG      ARG   1 -10.288   7.729   2.073
   27    HG3  ARG   1           1HG      ARG   1 -10.156   6.128   2.798
   28    HD2  ARG   1           2HD      ARG   1  -8.820   8.416   3.644
   29    HD3  ARG   1           1HD      ARG   1  -8.435   6.763   4.104
   30    HE   ARG   1           HE       ARG   1  -7.180   8.130   1.790
   31   HH11  ARG   1          1HH2      ARG   1  -7.067   6.050   4.577
   32   HH12  ARG   1          2HH2      ARG   1  -5.393   5.665   4.376
   33   HH21  ARG   1          1HH1      ARG   1  -4.994   7.614   1.543
   34   HH22  ARG   1          2HH1      ARG   1  -4.224   6.546   2.666
   35    H    SER   2           H        SER   2  -6.469   6.694   0.699
   36    HA   SER   2           HA       SER   2  -5.551   6.411  -2.091
   37    HB2  SER   2           2HB      SER   2  -4.627   8.358  -0.251
   38    HB3  SER   2           1HB      SER   2  -3.355   7.148  -0.391
   39    HG   SER   2           HG       SER   2  -4.475   8.832  -2.327
   40    H    CYS   3           H        CYS   3  -6.514   4.579   0.096
   41    HA   CYS   3           HA       CYS   3  -4.210   2.740   0.027
   42    HB2  CYS   3           2HB      CYS   3  -5.790   3.645   2.412
   43    HB3  CYS   3           1HB      CYS   3  -5.112   2.017   2.379
   44    H    ILE   4           H        ILE   4  -4.983   1.238  -1.362
   45    HA   ILE   4           HA       ILE   4  -7.273  -0.336  -0.541
   46    HB   ILE   4           HB       ILE   4  -7.946   0.060  -3.185
   47   HG12  ILE   4          2HG1      ILE   4  -7.530   2.814  -2.027
   48   HG13  ILE   4          1HG1      ILE   4  -6.261   2.044  -2.980
   49   HG21  ILE   4          1HG2      ILE   4  -8.972   1.396  -0.664
   50   HG22  ILE   4          2HG2      ILE   4  -9.543  -0.117  -1.370
   51   HG23  ILE   4          31HG      ILE   4  -9.832   1.411  -2.204
   52   HD11  ILE   4          3HD1      ILE   4  -7.453   2.186  -4.934
   53   HD12  ILE   4          1HD1      ILE   4  -8.209   3.541  -4.096
   54   HD13  ILE   4          2HD1      ILE   4  -9.004   1.967  -4.125
   55    H    ASP   5           H        ASP   5  -7.059  -2.413  -1.159
   56    HA   ASP   5           HA       ASP   5  -4.857  -3.052  -3.026
   57    HB2  ASP   5           2HB      ASP   5  -4.562  -5.114  -1.846
   58    HB3  ASP   5           1HB      ASP   5  -4.663  -3.843  -0.628
   59    H    THR   6           H        THR   6  -5.169  -4.884  -4.447
   60    HA   THR   6           HA       THR   6  -8.022  -5.387  -5.051
   61    HB   THR   6           HB       THR   6  -7.288  -5.621  -7.438
   62    HG1  THR   6           1HG      THR   6  -5.176  -4.362  -7.667
   63   HG21  THR   6          31HG      THR   6  -8.145  -3.459  -6.217
   64   HG22  THR   6          1HG2      THR   6  -7.491  -3.334  -7.850
   65   HG23  THR   6          2HG2      THR   6  -6.492  -2.896  -6.464
   66    H    ILE   7           H        ILE   7  -5.814  -6.860  -3.490
   67    HA   ILE   7           HA       ILE   7  -6.336  -9.468  -4.747
   68    HB   ILE   7           HB       ILE   7  -4.023 -10.176  -4.345
   69   HG12  ILE   7          2HG1      ILE   7  -2.883  -7.532  -3.958
   70   HG13  ILE   7          1HG1      ILE   7  -3.984  -7.939  -2.641
   71   HG21  ILE   7          1HG2      ILE   7  -4.802  -8.945  -6.481
   72   HG22  ILE   7          2HG2      ILE   7  -3.066  -9.068  -6.200
   73   HG23  ILE   7          31HG      ILE   7  -3.910  -7.561  -5.847
   74   HD11  ILE   7          3HD1      ILE   7  -1.920  -9.910  -3.616
   75   HD12  ILE   7          1HD1      ILE   7  -2.773  -9.887  -2.072
   76   HD13  ILE   7          2HD1      ILE   7  -1.522  -8.691  -2.406
   77    HA   PRO   8           HA       PRO   8  -7.415 -10.645  -0.647
   78    HB2  PRO   8           2HB      PRO   8  -6.829 -13.336  -0.774
   79    HB3  PRO   8           1HB      PRO   8  -8.284 -12.599  -1.469
   80    HG2  PRO   8           2HG      PRO   8  -5.773 -13.452  -2.800
   81    HG3  PRO   8           1HG      PRO   8  -7.444 -13.522  -3.382
   82    HD2  PRO   8           2HD      PRO   8  -5.653 -11.622  -4.204
   83    HD3  PRO   8           1HD      PRO   8  -7.407 -11.349  -4.157
   84    H    LYS   9           H        LYS   9  -6.418 -10.615   1.299
   85    HA   LYS   9           HA       LYS   9  -3.671 -10.296   1.598
   86    HB2  LYS   9           2HB      LYS   9  -4.050 -10.556   3.988
   87    HB3  LYS   9           1HB      LYS   9  -5.371  -9.626   3.281
   88    HG2  LYS   9           2HG      LYS   9  -6.292 -12.198   3.006
   89    HG3  LYS   9           1HG      LYS   9  -5.413 -12.294   4.531
   90    HD2  LYS   9           2HD      LYS   9  -7.517 -11.587   5.255
   91    HD3  LYS   9           1HD      LYS   9  -6.673 -10.048   5.072
   92    HE2  LYS   9           2HE      LYS   9  -7.724  -9.598   2.988
   93    HE3  LYS   9           1HE      LYS   9  -8.274 -11.265   2.817
   94    HZ1  LYS   9           3HZ      LYS   9  -9.217  -9.279   4.810
   95    HZ2  LYS   9           1HZ      LYS   9  -9.666 -10.915   4.807
   96    HZ3  LYS   9           2HZ      LYS   9 -10.102  -9.915   3.506
   97    H    SER  10           H        SER  10  -5.435 -13.152   1.042
   98    HA   SER  10           HA       SER  10  -4.030 -15.108   2.427
   99    HB2  SER  10           2HB      SER  10  -5.037 -15.352  -0.414
  100    HB3  SER  10           1HB      SER  10  -4.780 -16.659   0.738
  101    HG   SER  10           HG       SER  10  -6.578 -16.135   1.737
  102    H    ARG  11           H        ARG  11  -3.102 -13.256  -0.396
  103    HA   ARG  11           HA       ARG  11  -0.742 -14.912  -0.865
  104    HB2  ARG  11           2HB      ARG  11  -2.200 -12.814  -2.333
  105    HB3  ARG  11           1HB      ARG  11  -0.445 -12.745  -2.495
  106    HG2  ARG  11           2HG      ARG  11  -2.085 -15.258  -2.919
  107    HG3  ARG  11           1HG      ARG  11  -1.549 -14.196  -4.222
  108    HD2  ARG  11           2HD      ARG  11   0.783 -14.596  -2.830
  109    HD3  ARG  11           1HD      ARG  11  -0.016 -16.154  -2.645
  110    HE   ARG  11           HE       ARG  11   1.162 -15.143  -5.038
  111   HH11  ARG  11          1HH2      ARG  11  -1.517 -16.946  -3.792
  112   HH12  ARG  11          2HH2      ARG  11  -1.743 -17.871  -5.239
  113   HH21  ARG  11          1HH1      ARG  11   0.873 -16.360  -6.937
  114   HH22  ARG  11          2HH1      ARG  11  -0.392 -17.540  -7.017
  115    H    CYS  12           H        CYS  12  -1.655 -12.117   0.894
  116    HA   CYS  12           HA       CYS  12   0.973 -10.914   0.966
  117    HB2  CYS  12           2HB      CYS  12  -1.469  -9.880   1.373
  118    HB3  CYS  12           1HB      CYS  12  -1.053 -10.260   3.045
  119    H    THR  13           H        THR  13   2.338 -12.549   1.719
  120    HA   THR  13           HA       THR  13   1.859 -13.487   4.478
  121    HB   THR  13           HB       THR  13   3.081 -15.403   3.990
  122    HG1  THR  13           1HG      THR  13   4.947 -14.816   3.170
  123   HG21  THR  13          31HG      THR  13   1.047 -15.443   2.671
  124   HG22  THR  13          1HG2      THR  13   2.346 -16.167   1.723
  125   HG23  THR  13          2HG2      THR  13   1.820 -14.517   1.384
  126    H    ALA  14           H        ALA  14   3.859 -13.773   5.799
  127    HA   ALA  14           HA       ALA  14   5.203 -11.328   6.134
  128    HB1  ALA  14           1HB      ALA  14   5.653 -14.114   7.167
  129    HB2  ALA  14           2HB      ALA  14   5.156 -12.668   8.048
  130    HB3  ALA  14           3HB      ALA  14   6.826 -12.840   7.506
  131    H    PHE  15           H        PHE  15   5.564 -13.614   3.752
  132    HA   PHE  15           HA       PHE  15   8.430 -13.098   3.350
  133    HB2  PHE  15           2HB      PHE  15   8.396 -15.265   2.757
  134    HB3  PHE  15           1HB      PHE  15   6.635 -15.298   2.763
  135    HD1  PHE  15           2HD      PHE  15   9.602 -14.373   0.703
  136    HD2  PHE  15           1HD      PHE  15   5.404 -15.278   0.731
  137    HE1  PHE  15           2HE      PHE  15   9.602 -14.446  -1.775
  138    HE2  PHE  15           1HE      PHE  15   5.403 -15.351  -1.749
  139    HZ   PHE  15           HZ       PHE  15   7.503 -14.935  -3.001
  140    H    GLN  16           H        GLN  16   5.336 -12.941   1.584
  141    HA   GLN  16           HA       GLN  16   6.336 -11.665  -0.718
  142    HB2  GLN  16           2HB      GLN  16   4.012 -12.784  -0.181
  143    HB3  GLN  16           1HB      GLN  16   3.565 -11.140   0.278
  144    HG2  GLN  16           2HG      GLN  16   3.032 -11.505  -2.068
  145    HG3  GLN  16           1HG      GLN  16   4.345 -10.339  -1.937
  146   HE21  GLN  16          1HE2      GLN  16   6.185 -10.796  -3.162
  147   HE22  GLN  16          2HE2      GLN  16   6.548 -12.313  -3.829
  148    H    CYS  17           H        CYS  17   5.439 -10.483   2.433
  149    HA   CYS  17           HA       CYS  17   5.538  -7.694   1.541
  150    HB2  CYS  17           2HB      CYS  17   4.014  -8.983   3.445
  151    HB3  CYS  17           1HB      CYS  17   5.250  -8.176   4.411
  152    H    LYS  18           H        LYS  18   7.867  -9.717   1.882
  153    HA   LYS  18           HA       LYS  18   9.596  -7.849   3.381
  154    HB2  LYS  18           2HB      LYS  18   9.131  -9.904   4.721
  155    HB3  LYS  18           1HB      LYS  18   9.844 -10.865   3.424
  156    HG2  LYS  18           2HG      LYS  18  11.967  -9.630   3.671
  157    HG3  LYS  18           1HG      LYS  18  11.258  -8.671   4.970
  158    HD2  LYS  18           2HD      LYS  18  10.715 -11.108   5.943
  159    HD3  LYS  18           1HD      LYS  18  12.132 -11.524   4.978
  160    HE2  LYS  18           2HE      LYS  18  11.939  -9.542   7.249
  161    HE3  LYS  18           1HE      LYS  18  13.008 -10.937   7.106
  162    HZ1  LYS  18           3HZ      LYS  18  14.107  -8.782   6.663
  163    HZ2  LYS  18           1HZ      LYS  18  13.104  -8.577   5.312
  164    HZ3  LYS  18           2HZ      LYS  18  14.205  -9.869   5.361
  165    H    HIS  19           H        HIS  19   9.235 -10.221   0.815
  166    HA   HIS  19           HA       HIS  19  11.905  -9.619  -0.230
  167    HB2  HIS  19           2HB      HIS  19   9.801 -11.534  -1.267
  168    HB3  HIS  19           1HB      HIS  19  11.474 -11.423  -1.814
  169    HD1  HIS  19           1HD      HIS  19   9.829 -11.708   1.628
  170    HD2  HIS  19           2HD      HIS  19  12.935 -13.402  -0.577
  171    HE1  HIS  19           1HE      HIS  19  10.918 -13.429   3.132
  172    HE2  HIS  19           2HE      HIS  19  12.818 -14.468   1.803
  173    H    SER  20           H        SER  20   8.542  -8.936  -0.797
  174    HA   SER  20           HA       SER  20   9.240  -7.509  -3.290
  175    HB2  SER  20           2HB      SER  20   6.901  -9.078  -2.445
  176    HB3  SER  20           1HB      SER  20   6.502  -7.543  -3.210
  177    HG   SER  20           HG       SER  20   8.277  -8.342  -4.759
  178    H    NLE  21           H        NLE  21   8.975  -5.341  -3.400
  179    HA   NLE  21           HA       NLE  21   8.195  -3.964  -0.941
  180    HB2  NLE  21           1HB      NLE  21  10.237  -3.500  -2.682
  181    HB3  NLE  21           2HB      NLE  21   9.579  -2.293  -1.582
  182    HG2  NLE  21           1HG      NLE  21   9.750  -1.443  -3.912
  183    HG3  NLE  21           2HG      NLE  21   8.083  -1.463  -3.339
  184    HD2  NLE  21           1HD      NLE  21   7.584  -2.670  -5.183
  185    HD3  NLE  21           2HD      NLE  21   8.473  -4.003  -4.449
  186    HE1  NLE  21           3HE      NLE  21  10.500  -3.383  -5.570
  187    HE2  NLE  21           1HE      NLE  21   9.821  -1.837  -6.079
  188    HE3  NLE  21           2HE      NLE  21   9.229  -3.338  -6.792
  189    H    LYS  22           H        LYS  22   6.869  -4.772  -3.991
  190    HA   LYS  22           HA       LYS  22   5.029  -2.565  -4.191
  191    HB2  LYS  22           2HB      LYS  22   3.865  -4.381  -5.752
  192    HB3  LYS  22           1HB      LYS  22   5.294  -3.492  -6.275
  193    HG2  LYS  22           2HG      LYS  22   6.700  -5.314  -5.994
  194    HG3  LYS  22           1HG      LYS  22   5.680  -6.039  -4.748
  195    HD2  LYS  22           2HD      LYS  22   4.340  -7.092  -6.267
  196    HD3  LYS  22           1HD      LYS  22   4.438  -5.765  -7.425
  197    HE2  LYS  22           2HE      LYS  22   5.630  -8.059  -7.950
  198    HE3  LYS  22           1HE      LYS  22   6.429  -6.538  -8.352
  199    HZ1  LYS  22           3HZ      LYS  22   7.842  -8.162  -7.135
  200    HZ2  LYS  22           1HZ      LYS  22   6.826  -7.977  -5.789
  201    HZ3  LYS  22           2HZ      LYS  22   7.710  -6.648  -6.374
  202    H    TYR  23           H        TYR  23   5.227  -5.143  -2.106
  203    HA   TYR  23           HA       TYR  23   2.313  -5.392  -1.806
  204    HB2  TYR  23           2HB      TYR  23   4.669  -6.997  -0.912
  205    HB3  TYR  23           1HB      TYR  23   3.198  -7.054   0.060
  206    HD1  TYR  23           2HD      TYR  23   4.213  -7.160  -3.555
  207    HD2  TYR  23           1HD      TYR  23   1.608  -8.659  -0.487
  208    HE1  TYR  23           2HE      TYR  23   3.198  -8.733  -5.184
  209    HE2  TYR  23           1HE      TYR  23   0.594 -10.231  -2.114
  210    HH   TYR  23           HH       TYR  23   1.686 -11.316  -4.540
  211    H    ARG  24           H        ARG  24   5.197  -4.196  -0.217
  212    HA   ARG  24           HA       ARG  24   3.882  -3.600   2.274
  213    HB2  ARG  24           2HB      ARG  24   6.487  -2.437   1.297
  214    HB3  ARG  24           1HB      ARG  24   5.961  -2.688   2.963
  215    HG2  ARG  24           2HG      ARG  24   6.107  -5.078   2.732
  216    HG3  ARG  24           1HG      ARG  24   6.364  -4.951   0.992
  217    HD2  ARG  24           2HD      ARG  24   8.244  -4.125   3.209
  218    HD3  ARG  24           1HD      ARG  24   8.523  -5.320   1.945
  219    HE   ARG  24           HE       ARG  24   8.119  -3.018   0.543
  220   HH11  ARG  24          1HH2      ARG  24  10.119  -3.924   3.219
  221   HH12  ARG  24          2HH2      ARG  24  11.390  -2.816   2.822
  222   HH21  ARG  24          1HH1      ARG  24   9.783  -1.564   0.015
  223   HH22  ARG  24          2HH1      ARG  24  11.200  -1.480   1.009
  224    H    LEU  25           H        LEU  25   3.965  -2.074  -0.777
  225    HA   LEU  25           HA       LEU  25   2.710   0.303   0.383
  226    HB2  LEU  25           2HB      LEU  25   4.707   0.932  -1.704
  227    HB3  LEU  25           1HB      LEU  25   4.254   1.839  -0.267
  228    HG   LEU  25           HG       LEU  25   5.840  -0.727  -0.069
  229   HD11  LEU  25          1HD1      LEU  25   6.796   2.082  -0.609
  230   HD12  LEU  25          2HD1      LEU  25   7.224   0.599  -1.462
  231   HD13  LEU  25          3HD1      LEU  25   7.823   0.881   0.173
  232   HD21  LEU  25          31HD      LEU  25   6.368   1.407   1.833
  233   HD22  LEU  25          1HD2      LEU  25   5.841  -0.247   2.140
  234   HD23  LEU  25          2HD2      LEU  25   4.651   1.009   1.795
  235    H    SER  26           H        SER  26   1.596  -1.842  -1.208
  236    HA   SER  26           HA       SER  26   0.398  -0.221  -3.272
  237    HB2  SER  26           2HB      SER  26   2.665  -1.670  -4.021
  238    HB3  SER  26           1HB      SER  26   1.303  -2.624  -4.599
  239    HG   SER  26           HG       SER  26   1.944  -1.011  -6.098
  240    H    PHE  27           H        PHE  27   0.870  -3.613  -2.287
  241    HA   PHE  27           HA       PHE  27  -1.985  -4.070  -2.827
  242    HB2  PHE  27           2HB      PHE  27   0.286  -6.009  -2.382
  243    HB3  PHE  27           1HB      PHE  27  -1.392  -6.472  -2.678
  244    HD1  PHE  27           1HD      PHE  27  -2.531  -5.499  -4.799
  245    HD2  PHE  27           2HD      PHE  27   1.717  -5.569  -4.193
  246    HE1  PHE  27           1HE      PHE  27  -2.179  -5.226  -7.241
  247    HE2  PHE  27           2HE      PHE  27   2.072  -5.298  -6.633
  248    HZ   PHE  27           HZ       PHE  27   0.122  -5.126  -8.157
  249    H    CYS  28           H        CYS  28   0.377  -4.215  -0.195
  250    HA   CYS  28           HA       CYS  28  -1.850  -4.926   1.609
  251    HB2  CYS  28           2HB      CYS  28   0.877  -5.849   1.443
  252    HB3  CYS  28           1HB      CYS  28   0.540  -5.184   3.038
  253    H    ARG  29           H        ARG  29  -2.317  -2.549   1.261
  254    HA   ARG  29           HA       ARG  29  -0.630  -0.722   2.767
  255    HB2  ARG  29           2HB      ARG  29  -2.925   0.667   2.231
  256    HB3  ARG  29           1HB      ARG  29  -1.524   0.620   1.179
  257    HG2  ARG  29           2HG      ARG  29  -3.682  -1.485   0.998
  258    HG3  ARG  29           1HG      ARG  29  -3.849   0.053   0.162
  259    HD2  ARG  29           2HD      ARG  29  -2.046  -2.222  -0.424
  260    HD3  ARG  29           1HD      ARG  29  -2.789  -1.064  -1.515
  261    HE   ARG  29           HE       ARG  29  -0.190  -0.841  -0.267
  262   HH11  ARG  29          1HH2      ARG  29  -2.876   0.793  -1.714
  263   HH12  ARG  29          2HH2      ARG  29  -1.962   2.199  -2.149
  264   HH21  ARG  29          1HH1      ARG  29   1.014   1.000  -0.834
  265   HH22  ARG  29          2HH1      ARG  29   0.238   2.317  -1.650
  266    H    LYS  30           H        LYS  30  -1.526  -2.818   4.347
  267    HA   LYS  30           HA       LYS  30  -2.777  -1.416   6.503
  268    HB2  LYS  30           2HB      LYS  30  -4.813  -2.806   6.628
  269    HB3  LYS  30           1HB      LYS  30  -4.785  -1.808   5.173
  270    HG2  LYS  30           2HG      LYS  30  -3.563  -3.946   4.167
  271    HG3  LYS  30           1HG      LYS  30  -4.453  -4.762   5.452
  272    HD2  LYS  30           2HD      LYS  30  -6.489  -3.380   4.562
  273    HD3  LYS  30           1HD      LYS  30  -5.517  -3.234   3.095
  274    HE2  LYS  30           2HE      LYS  30  -6.556  -5.737   4.411
  275    HE3  LYS  30           1HE      LYS  30  -6.788  -5.196   2.748
  276    HZ1  LYS  30           3HZ      LYS  30  -4.603  -5.713   2.196
  277    HZ2  LYS  30           1HZ      LYS  30  -5.079  -7.016   3.171
  278    HZ3  LYS  30           2HZ      LYS  30  -4.098  -5.787   3.816
  279    H    THR  31           H        THR  31  -2.284  -4.610   5.081
  280    HA   THR  31           HA       THR  31  -2.018  -6.032   7.518
  281    HB   THR  31           HB       THR  31  -0.473  -7.114   5.284
  282    HG1  THR  31           1HG      THR  31  -2.509  -7.423   4.087
  283   HG21  THR  31          31HG      THR  31  -1.877  -9.042   5.698
  284   HG22  THR  31          1HG2      THR  31  -3.017  -8.066   6.623
  285   HG23  THR  31          2HG2      THR  31  -1.399  -8.367   7.256
  286    H    CYS  32           H        CYS  32   0.450  -4.922   5.198
  287    HA   CYS  32           HA       CYS  32   2.663  -5.566   6.864
  288    HB2  CYS  32           2HB      CYS  32   2.251  -4.559   4.242
  289    HB3  CYS  32           1HB      CYS  32   3.287  -3.406   5.080
  290    H    GLY  33           H        GLY  33   0.299  -3.574   7.606
  291    HA2  GLY  33           2HA      GLY  33   0.052  -1.667   8.879
  292    HA3  GLY  33           1HA      GLY  33   1.569  -2.166   9.626
  293    H    THR  34           H        THR  34   1.290  -1.458   6.221
  294    HA   THR  34           HA       THR  34   3.303   0.635   6.484
  295    HB   THR  34           HB       THR  34   3.486  -1.057   4.691
  296    HG1  THR  34           1HG      THR  34   2.955   1.592   3.828
  297   HG21  THR  34          31HG      THR  34   0.782  -0.792   4.468
  298   HG22  THR  34          1HG2      THR  34   1.806  -1.513   3.226
  299   HG23  THR  34          2HG2      THR  34   1.330   0.182   3.102
  300    H    CYS  35           H        CYS  35  -0.117   0.329   5.868
  301    HA   CYS  35           HA       CYS  35  -0.295   3.271   5.716
  302    HB2  CYS  35           2HB      CYS  35  -0.828   2.774   3.517
  303    HB3  CYS  35           1HB      CYS  35  -1.543   1.216   3.935
  304    HN1  NH2  36           H2       NH2  36  -3.027   0.957   7.692
  305    HN2  NH2  36           H1       NH2  36  -2.005   0.247   6.538
  Start of MODEL   11
    1    HA   PFX   0           HA       PFX   0  -7.876  17.201  -0.230
    2    H1N  PFX   0           H1N      PFX   0  -7.272  15.254   0.792
    3    H2N  PFX   0           H2N      PFX   0  -6.911  16.384   2.008
    4    H3N  PFX   0           H3N      PFX   0  -5.667  15.741   1.045
    5    H1B  PFX   0           1HB      PFX   0  -5.394  18.641   0.660
    6    H2B  PFX   0           2HB      PFX   0  -6.733  18.454   1.792
    7    HD1  PFX   0           HD1      PFX   0  -8.179  20.269   1.871
    8    HD2  PFX   0           HD2      PFX   0  -6.352  19.227  -1.870
    9    HE1  PFX   0           HE1      PFX   0  -9.374  22.138   0.769
   10    HE2  PFX   0           HE2      PFX   0  -7.548  21.093  -2.974
   11    HNH  PFX   0           HNH      PFX   0  -6.692  17.425  -2.926
   12    H11  PFX   0          1HNH      PFX   0  -8.145  15.448  -2.874
   13    H21  PFX   0          2HNH      PFX   0  -6.991  14.719  -1.761
   14    H12  PFX   0           1H2      PFX   0  -6.366  15.468  -4.632
   15    H22  PFX   0           2H2      PFX   0  -6.778  13.841  -4.089
   16    H14  PFX   0           1H4      PFX   0  -3.313  15.018  -4.648
   17    H24  PFX   0           2H4      PFX   0  -4.687  14.293  -5.482
   18    H15  PFX   0           1H5      PFX   0  -2.498  12.985  -3.932
   19    H25  PFX   0           2H5      PFX   0  -3.316  12.444  -5.399
   20    H17  PFX   0           1H7      PFX   0  -4.912  12.001  -1.617
   21    H27  PFX   0           2H7      PFX   0  -3.608  13.127  -1.995
   22    H    ARG   1           H        ARG   1  -4.550   9.906  -1.405
   23    HA   ARG   1           HA       ARG   1  -2.352   8.830  -2.939
   24    HB2  ARG   1           2HB      ARG   1  -1.912   9.050  -0.227
   25    HB3  ARG   1           1HB      ARG   1  -2.547   7.415  -0.366
   26    HG2  ARG   1           2HG      ARG   1  -0.441   8.243  -2.329
   27    HG3  ARG   1           1HG      ARG   1   0.056   7.944  -0.669
   28    HD2  ARG   1           2HD      ARG   1  -1.202   5.737  -0.813
   29    HD3  ARG   1           1HD      ARG   1  -1.336   6.027  -2.546
   30    HE   ARG   1           HE       ARG   1   1.363   6.195  -1.472
   31   HH11  ARG   1          1HH2      ARG   1  -1.119   4.256  -2.901
   32   HH12  ARG   1          2HH2      ARG   1  -0.025   3.073  -3.535
   33   HH21  ARG   1          1HH1      ARG   1   2.807   4.648  -2.297
   34   HH22  ARG   1          2HH1      ARG   1   2.200   3.293  -3.191
   35    H    SER   2           H        SER   2  -2.831   6.182  -1.542
   36    HA   SER   2           HA       SER   2  -5.597   5.564  -2.085
   37    HB2  SER   2           2HB      SER   2  -4.701   3.719  -3.758
   38    HB3  SER   2           1HB      SER   2  -5.091   5.340  -4.327
   39    HG   SER   2           HG       SER   2  -3.089   5.304  -4.986
   40    H    CYS   3           H        CYS   3  -5.194   5.041   0.202
   41    HA   CYS   3           HA       CYS   3  -3.469   2.815   0.843
   42    HB2  CYS   3           2HB      CYS   3  -4.169   4.764   2.385
   43    HB3  CYS   3           1HB      CYS   3  -5.677   3.876   2.589
   44    H    ILE   4           H        ILE   4  -4.632   1.601  -0.986
   45    HA   ILE   4           HA       ILE   4  -6.590  -0.173   0.268
   46    HB   ILE   4           HB       ILE   4  -7.501   0.279  -2.394
   47   HG12  ILE   4          2HG1      ILE   4  -7.339   2.822  -0.742
   48   HG13  ILE   4          1HG1      ILE   4  -6.287   2.482  -2.118
   49   HG21  ILE   4          1HG2      ILE   4  -8.767   1.231   0.185
   50   HG22  ILE   4          2HG2      ILE   4  -8.737  -0.469  -0.287
   51   HG23  ILE   4          31HG      ILE   4  -9.579   0.711  -1.292
   52   HD11  ILE   4          3HD1      ILE   4  -7.913   2.987  -3.607
   53   HD12  ILE   4          1HD1      ILE   4  -8.784   3.696  -2.248
   54   HD13  ILE   4          2HD1      ILE   4  -9.112   2.033  -2.733
   55    H    ASP   5           H        ASP   5  -6.370  -2.257  -0.369
   56    HA   ASP   5           HA       ASP   5  -4.312  -2.827  -2.400
   57    HB2  ASP   5           2HB      ASP   5  -5.473  -4.807  -0.451
   58    HB3  ASP   5           1HB      ASP   5  -3.951  -4.900  -1.330
   59    H    THR   6           H        THR   6  -4.701  -5.040  -3.467
   60    HA   THR   6           HA       THR   6  -7.497  -5.572  -4.132
   61    HB   THR   6           HB       THR   6  -6.494  -3.778  -5.718
   62    HG1  THR   6           1HG      THR   6  -7.784  -6.170  -6.359
   63   HG21  THR   6          31HG      THR   6  -5.305  -6.076  -7.196
   64   HG22  THR   6          1HG2      THR   6  -4.377  -5.413  -5.852
   65   HG23  THR   6          2HG2      THR   6  -4.840  -4.375  -7.199
   66    H    ILE   7           H        ILE   7  -5.008  -6.746  -2.879
   67    HA   ILE   7           HA       ILE   7  -4.663  -9.137  -4.575
   68    HB   ILE   7           HB       ILE   7  -2.729  -7.630  -3.796
   69   HG12  ILE   7          2HG1      ILE   7  -2.896 -10.608  -3.681
   70   HG13  ILE   7          1HG1      ILE   7  -1.948  -9.578  -4.752
   71   HG21  ILE   7          1HG2      ILE   7  -3.069  -9.259  -1.270
   72   HG22  ILE   7          2HG2      ILE   7  -3.649  -7.600  -1.416
   73   HG23  ILE   7          31HG      ILE   7  -1.926  -7.949  -1.559
   74   HD11  ILE   7          3HD1      ILE   7  -0.681  -8.943  -2.524
   75   HD12  ILE   7          1HD1      ILE   7  -0.281 -10.438  -3.369
   76   HD13  ILE   7          2HD1      ILE   7  -1.334 -10.477  -1.956
   77    HA   PRO   8           HA       PRO   8  -7.374 -11.438  -1.839
   78    HB2  PRO   8           2HB      PRO   8  -5.209 -13.454  -2.382
   79    HB3  PRO   8           1HB      PRO   8  -6.971 -13.680  -2.360
   80    HG2  PRO   8           2HG      PRO   8  -5.619 -13.413  -4.650
   81    HG3  PRO   8           1HG      PRO   8  -7.251 -12.753  -4.442
   82    HD2  PRO   8           2HD      PRO   8  -4.686 -11.317  -4.678
   83    HD3  PRO   8           1HD      PRO   8  -6.338 -10.711  -4.916
   84    H    LYS   9           H        LYS   9  -6.720 -10.053  -0.053
   85    HA   LYS   9           HA       LYS   9  -4.726  -9.715   1.545
   86    HB2  LYS   9           2HB      LYS   9  -6.670 -10.961   3.285
   87    HB3  LYS   9           1HB      LYS   9  -6.264  -9.254   3.108
   88    HG2  LYS   9           2HG      LYS   9  -7.780  -9.022   1.233
   89    HG3  LYS   9           1HG      LYS   9  -8.082 -10.761   1.207
   90    HD2  LYS   9           2HD      LYS   9  -9.244 -10.694   3.287
   91    HD3  LYS   9           1HD      LYS   9  -8.676  -9.061   3.637
   92    HE2  LYS   9           2HE      LYS   9  -9.981  -8.912   1.134
   93    HE3  LYS   9           1HE      LYS   9 -11.024  -9.884   2.171
   94    HZ1  LYS   9           3HZ      LYS   9 -10.094  -7.116   2.557
   95    HZ2  LYS   9           1HZ      LYS   9 -10.556  -8.052   3.893
   96    HZ3  LYS   9           2HZ      LYS   9 -11.672  -7.739   2.651
   97    H    SER  10           H        SER  10  -6.238 -12.925   1.357
   98    HA   SER  10           HA       SER  10  -4.529 -14.162   3.257
   99    HB2  SER  10           2HB      SER  10  -6.688 -15.133   2.598
  100    HB3  SER  10           1HB      SER  10  -6.077 -15.398   0.966
  101    HG   SER  10           HG       SER  10  -5.021 -17.082   1.660
  102    H    ARG  11           H        ARG  11  -3.184 -12.561   1.157
  103    HA   ARG  11           HA       ARG  11  -1.347 -14.664   0.195
  104    HB2  ARG  11           2HB      ARG  11  -2.643 -12.439  -1.297
  105    HB3  ARG  11           1HB      ARG  11  -0.962 -12.806  -1.685
  106    HG2  ARG  11           2HG      ARG  11  -3.061 -14.972  -1.526
  107    HG3  ARG  11           1HG      ARG  11  -2.768 -14.073  -3.015
  108    HD2  ARG  11           2HD      ARG  11  -0.245 -14.697  -2.513
  109    HD3  ARG  11           1HD      ARG  11  -0.978 -15.996  -1.577
  110    HE   ARG  11           HE       ARG  11  -2.254 -16.062  -4.024
  111   HH11  ARG  11          1HH2      ARG  11   0.995 -16.216  -2.847
  112   HH12  ARG  11          2HH2      ARG  11   1.563 -17.221  -4.139
  113   HH21  ARG  11          1HH1      ARG  11  -1.519 -17.378  -5.724
  114   HH22  ARG  11          2HH1      ARG  11   0.139 -17.878  -5.769
  115    H    CYS  12           H        CYS  12  -1.817 -11.524   1.611
  116    HA   CYS  12           HA       CYS  12   0.901 -10.633   1.382
  117    HB2  CYS  12           2HB      CYS  12  -1.243  -9.241   1.864
  118    HB3  CYS  12           1HB      CYS  12  -0.988  -9.724   3.540
  119    H    THR  13           H        THR  13   2.145 -12.414   2.085
  120    HA   THR  13           HA       THR  13   1.908 -13.154   4.924
  121    HB   THR  13           HB       THR  13   3.187 -15.091   4.403
  122    HG1  THR  13           1HG      THR  13   3.596 -14.419   1.752
  123   HG21  THR  13          31HG      THR  13   1.733 -14.928   1.819
  124   HG22  THR  13          1HG2      THR  13   0.777 -14.648   3.274
  125   HG23  THR  13          2HG2      THR  13   1.660 -16.162   3.077
  126    H    ALA  14           H        ALA  14   3.992 -13.469   6.102
  127    HA   ALA  14           HA       ALA  14   5.476 -11.060   6.164
  128    HB1  ALA  14           1HB      ALA  14   7.060 -12.970   7.428
  129    HB2  ALA  14           2HB      ALA  14   5.418 -13.580   7.629
  130    HB3  ALA  14           3HB      ALA  14   5.833 -11.960   8.196
  131    H    PHE  15           H        PHE  15   5.523 -13.420   3.896
  132    HA   PHE  15           HA       PHE  15   8.416 -13.230   3.369
  133    HB2  PHE  15           2HB      PHE  15   8.010 -15.460   3.083
  134    HB3  PHE  15           1HB      PHE  15   6.294 -15.210   2.767
  135    HD1  PHE  15           2HD      PHE  15   9.451 -14.000   1.121
  136    HD2  PHE  15           1HD      PHE  15   5.691 -16.030   0.679
  137    HE1  PHE  15           2HE      PHE  15   9.856 -14.220  -1.316
  138    HE2  PHE  15           1HE      PHE  15   6.096 -16.250  -1.757
  139    HZ   PHE  15           HZ       PHE  15   8.179 -15.350  -2.755
  140    H    GLN  16           H        GLN  16   5.257 -12.830   1.783
  141    HA   GLN  16           HA       GLN  16   6.318 -11.750  -0.634
  142    HB2  GLN  16           2HB      GLN  16   3.639 -12.070   0.599
  143    HB3  GLN  16           1HB      GLN  16   3.800 -10.790  -0.607
  144    HG2  GLN  16           2HG      GLN  16   4.745 -13.630  -1.069
  145    HG3  GLN  16           1HG      GLN  16   3.143 -13.060  -1.527
  146   HE21  GLN  16          1HE2      GLN  16   5.330 -10.495  -1.799
  147   HE22  GLN  16          2HE2      GLN  16   5.657 -10.625  -3.460
  148    H    CYS  17           H        CYS  17   5.276 -10.384   2.424
  149    HA   CYS  17           HA       CYS  17   5.428  -7.652   1.468
  150    HB2  CYS  17           2HB      CYS  17   3.780  -8.113   3.152
  151    HB3  CYS  17           1HB      CYS  17   4.985  -8.850   4.208
  152    H    LYS  18           H        LYS  18   7.801  -9.706   1.773
  153    HA   LYS  18           HA       LYS  18   9.629  -7.753   3.039
  154    HB2  LYS  18           2HB      LYS  18   9.151 -10.519   3.707
  155    HB3  LYS  18           1HB      LYS  18  10.816 -10.312   3.164
  156    HG2  LYS  18           2HG      LYS  18   9.526  -8.486   5.192
  157    HG3  LYS  18           1HG      LYS  18  10.412  -9.941   5.646
  158    HD2  LYS  18           2HD      LYS  18  12.455  -9.098   4.869
  159    HD3  LYS  18           1HD      LYS  18  11.676  -7.921   3.811
  160    HE2  LYS  18           2HE      LYS  18  11.638  -6.365   5.443
  161    HE3  LYS  18           1HE      LYS  18  10.917  -7.497   6.586
  162    HZ1  LYS  18           3HZ      LYS  18  13.133  -6.695   7.262
  163    HZ2  LYS  18           1HZ      LYS  18  13.800  -7.431   5.887
  164    HZ3  LYS  18           2HZ      LYS  18  13.065  -8.384   7.086
  165    H    HIS  19           H        HIS  19   9.242 -10.345   0.685
  166    HA   HIS  19           HA       HIS  19  11.771  -9.747  -0.600
  167    HB2  HIS  19           2HB      HIS  19   9.550 -11.672  -1.290
  168    HB3  HIS  19           1HB      HIS  19  11.115 -11.594  -2.100
  169    HD1  HIS  19           1HD      HIS  19  10.279 -11.458   1.600
  170    HD2  HIS  19           2HD      HIS  19  12.510 -13.753  -1.060
  171    HE1  HIS  19           1HE      HIS  19  11.521 -13.162   3.000
  172    HE2  HIS  19           2HE      HIS  19  12.890 -14.572   1.380
  173    H    SER  20           H        SER  20   8.431  -8.899  -0.940
  174    HA   SER  20           HA       SER  20   9.021  -7.641  -3.560
  175    HB2  SER  20           2HB      SER  20   6.324  -8.428  -2.440
  176    HB3  SER  20           1HB      SER  20   6.646  -7.769  -4.040
  177    HG   SER  20           HG       SER  20   8.173  -9.687  -4.130
  178    H    NLE  21           H        NLE  21   8.893  -5.492  -3.710
  179    HA   NLE  21           HA       NLE  21   8.324  -3.958  -1.310
  180    HB2  NLE  21           1HB      NLE  21   9.613  -3.443  -3.950
  181    HB3  NLE  21           2HB      NLE  21  10.186  -3.065  -2.330
  182    HG2  NLE  21           1HG      NLE  21   8.406  -1.298  -2.180
  183    HG3  NLE  21           2HG      NLE  21   8.016  -1.618  -3.870
  184    HD2  NLE  21           1HD      NLE  21  10.340  -1.067  -4.510
  185    HD3  NLE  21           2HD      NLE  21  10.726  -0.748  -2.810
  186    HE1  NLE  21           3HE      NLE  21  10.111   1.265  -4.350
  187    HE2  NLE  21           1HE      NLE  21   9.380   1.179  -2.750
  188    HE3  NLE  21           2HE      NLE  21   8.452   0.694  -4.170
  189    H    LYS  22           H        LYS  22   6.899  -4.546  -4.460
  190    HA   LYS  22           HA       LYS  22   5.043  -2.446  -4.550
  191    HB2  LYS  22           2HB      LYS  22   3.723  -4.001  -6.000
  192    HB3  LYS  22           1HB      LYS  22   5.422  -3.897  -6.460
  193    HG2  LYS  22           2HG      LYS  22   5.720  -5.911  -4.810
  194    HG3  LYS  22           1HG      LYS  22   3.987  -6.128  -5.060
  195    HD2  LYS  22           2HD      LYS  22   4.958  -7.462  -6.730
  196    HD3  LYS  22           1HD      LYS  22   4.530  -5.975  -7.580
  197    HE2  LYS  22           2HE      LYS  22   7.118  -5.574  -6.480
  198    HE3  LYS  22           1HE      LYS  22   7.130  -7.163  -7.250
  199    HZ1  LYS  22           3HZ      LYS  22   6.974  -6.265  -9.270
  200    HZ2  LYS  22           1HZ      LYS  22   7.419  -4.801  -8.530
  201    HZ3  LYS  22           2HZ      LYS  22   5.777  -5.155  -8.790
  202    H    TYR  23           H        TYR  23   5.239  -5.124  -2.440
  203    HA   TYR  23           HA       TYR  23   2.424  -5.306  -1.850
  204    HB2  TYR  23           2HB      TYR  23   4.913  -6.437  -0.610
  205    HB3  TYR  23           1HB      TYR  23   3.368  -6.555   0.220
  206    HD1  TYR  23           2HD      TYR  23   4.750  -7.037  -3.220
  207    HD2  TYR  23           1HD      TYR  23   2.072  -8.449  -0.190
  208    HE1  TYR  23           2HE      TYR  23   4.115  -8.945  -4.680
  209    HE2  TYR  23           1HE      TYR  23   1.431 -10.356  -1.630
  210    HH   TYR  23           HH       TYR  23   1.604 -11.256  -3.670
  211    H    ARG  24           H        ARG  24   5.204  -4.102   0.030
  212    HA   ARG  24           HA       ARG  24   3.730  -3.060   2.160
  213    HB2  ARG  24           2HB      ARG  24   6.362  -2.026   1.100
  214    HB3  ARG  24           1HB      ARG  24   5.716  -1.779   2.720
  215    HG2  ARG  24           2HG      ARG  24   7.218  -3.601   2.950
  216    HG3  ARG  24           1HG      ARG  24   5.618  -4.341   2.890
  217    HD2  ARG  24           2HD      ARG  24   6.066  -5.412   0.950
  218    HD3  ARG  24           1HD      ARG  24   6.781  -3.973   0.230
  219    HE   ARG  24           HE       ARG  24   8.195  -6.103   1.580
  220   HH11  ARG  24          1HH2      ARG  24   8.145  -2.781   0.630
  221   HH12  ARG  24          2HH2      ARG  24   9.868  -2.611   0.620
  222   HH21  ARG  24          1HH1      ARG  24  10.453  -5.893   1.560
  223   HH22  ARG  24          2HH1      ARG  24  11.174  -4.377   1.140
  224    H    LEU  25           H        LEU  25   3.683  -1.902  -1.030
  225    HA   LEU  25           HA       LEU  25   2.340   0.513  -0.090
  226    HB2  LEU  25           2HB      LEU  25   3.713   1.928  -1.690
  227    HB3  LEU  25           1HB      LEU  25   4.526   1.406  -0.220
  228    HG   LEU  25           HG       LEU  25   5.113  -0.681  -1.860
  229   HD11  LEU  25          1HD1      LEU  25   5.827   0.374  -4.030
  230   HD12  LEU  25          2HD1      LEU  25   4.912   1.809  -3.570
  231   HD13  LEU  25          3HD1      LEU  25   4.077   0.276  -3.820
  232   HD21  LEU  25          31HD      LEU  25   7.275   0.722  -2.320
  233   HD22  LEU  25          1HD2      LEU  25   6.860   0.316  -0.650
  234   HD23  LEU  25          2HD2      LEU  25   6.505   1.924  -1.280
  235    H    SER  26           H        SER  26   1.469  -1.876  -1.550
  236    HA   SER  26           HA       SER  26   0.008  -0.488  -3.610
  237    HB2  SER  26           2HB      SER  26   2.412  -1.485  -4.470
  238    HB3  SER  26           1HB      SER  26   1.315  -2.815  -4.830
  239    HG   SER  26           HG       SER  26   1.106  -1.526  -6.550
  240    H    PHE  27           H        PHE  27   1.005  -3.811  -2.750
  241    HA   PHE  27           HA       PHE  27  -1.776  -4.695  -3.060
  242    HB2  PHE  27           2HB      PHE  27   0.640  -6.398  -2.480
  243    HB3  PHE  27           1HB      PHE  27  -0.896  -6.893  -3.170
  244    HD1  PHE  27           1HD      PHE  27  -0.987  -4.207  -4.950
  245    HD2  PHE  27           2HD      PHE  27   1.815  -7.419  -4.400
  246    HE1  PHE  27           1HE      PHE  27  -0.092  -3.821  -7.230
  247    HE2  PHE  27           2HE      PHE  27   2.708  -7.028  -6.680
  248    HZ   PHE  27           HZ       PHE  27   1.755  -5.231  -8.090
  249    H    CYS  28           H        CYS  28   0.405  -3.837  -0.560
  250    HA   CYS  28           HA       CYS  28  -1.463  -5.038   1.380
  251    HB2  CYS  28           2HB      CYS  28   1.554  -4.976   1.560
  252    HB3  CYS  28           1HB      CYS  28   0.485  -5.424   2.890
  253    H    ARG  29           H        ARG  29  -2.096  -2.605   0.750
  254    HA   ARG  29           HA       ARG  29  -0.649  -0.568   2.190
  255    HB2  ARG  29           2HB      ARG  29  -3.476  -0.374   1.150
  256    HB3  ARG  29           1HB      ARG  29  -2.332   0.936   1.430
  257    HG2  ARG  29           2HG      ARG  29  -1.954  -1.275  -0.600
  258    HG3  ARG  29           1HG      ARG  29  -2.540   0.344  -0.970
  259    HD2  ARG  29           2HD      ARG  29   0.196  -0.502  -0.050
  260    HD3  ARG  29           1HD      ARG  29  -0.244   0.520  -1.420
  261    HE   ARG  29           HE       ARG  29  -0.800   1.532   1.270
  262   HH11  ARG  29          1HH2      ARG  29   1.103   1.543  -1.610
  263   HH12  ARG  29          2HH2      ARG  29   1.829   3.081  -1.290
  264   HH21  ARG  29          1HH1      ARG  29   0.144   3.550   1.700
  265   HH22  ARG  29          2HH1      ARG  29   1.289   4.217   0.580
  266    H    LYS  30           H        LYS  30  -1.495  -2.839   3.790
  267    HA   LYS  30           HA       LYS  30  -2.461  -1.501   6.070
  268    HB2  LYS  30           2HB      LYS  30  -4.696  -2.826   6.150
  269    HB3  LYS  30           1HB      LYS  30  -4.627  -1.339   5.200
  270    HG2  LYS  30           2HG      LYS  30  -5.115  -2.467   3.310
  271    HG3  LYS  30           1HG      LYS  30  -3.753  -3.557   3.570
  272    HD2  LYS  30           2HD      LYS  30  -5.106  -4.959   5.050
  273    HD3  LYS  30           1HD      LYS  30  -6.465  -3.844   4.890
  274    HE2  LYS  30           2HE      LYS  30  -7.085  -5.300   3.230
  275    HE3  LYS  30           1HE      LYS  30  -5.985  -4.308   2.280
  276    HZ1  LYS  30           3HZ      LYS  30  -5.142  -6.367   1.870
  277    HZ2  LYS  30           1HZ      LYS  30  -5.586  -6.988   3.390
  278    HZ3  LYS  30           2HZ      LYS  30  -4.234  -5.968   3.250
  279    H    THR  31           H        THR  31  -2.556  -4.611   4.360
  280    HA   THR  31           HA       THR  31  -2.640  -6.414   6.410
  281    HB   THR  31           HB       THR  31  -0.630  -7.444   4.770
  282    HG1  THR  31           1HG      THR  31  -1.493  -5.279   3.630
  283   HG21  THR  31          31HG      THR  31  -2.737  -8.400   3.550
  284   HG22  THR  31          1HG2      THR  31  -3.633  -7.548   4.800
  285   HG23  THR  31          2HG2      THR  31  -2.473  -8.802   5.250
  286    H    CYS  32           H        CYS  32   0.468  -5.341   5.030
  287    HA   CYS  32           HA       CYS  32   1.967  -6.198   7.300
  288    HB2  CYS  32           2HB      CYS  32   2.504  -5.212   4.680
  289    HB3  CYS  32           1HB      CYS  32   3.371  -4.185   5.830
  290    H    GLY  33           H        GLY  33  -0.293  -4.048   7.450
  291    HA2  GLY  33           2HA      GLY  33  -0.718  -2.112   8.640
  292    HA3  GLY  33           1HA      GLY  33   0.554  -2.688   9.710
  293    H    THR  34           H        THR  34   0.907  -1.825   6.310
  294    HA   THR  34           HA       THR  34   3.096  -0.032   6.960
  295    HB   THR  34           HB       THR  34   3.107  -1.596   4.990
  296    HG1  THR  34           1HG      THR  34   3.700   1.063   5.060
  297   HG21  THR  34          31HG      THR  34   0.618  -0.904   4.500
  298   HG22  THR  34          1HG2      THR  34   1.702  -1.274   3.160
  299   HG23  THR  34          2HG2      THR  34   1.367   0.404   3.590
  300    H    CYS  35           H        CYS  35  -0.236   0.207   5.850
  301    HA   CYS  35           HA       CYS  35  -0.078   3.128   6.230
  302    HB2  CYS  35           2HB      CYS  35  -0.028   2.940   3.880
  303    HB3  CYS  35           1HB      CYS  35  -1.218   1.640   3.880
  304    HN1  NH2  36           H2       NH2  36  -3.187   3.031   7.850
  305    HN2  NH2  36           H1       NH2  36  -1.807   3.930   7.440
  Start of MODEL   12
    1    HA   PFX   0           HA       PFX   0  -2.353  19.249   3.627
    2    H1N  PFX   0           H1N      PFX   0  -2.415  21.049   2.259
    3    H2N  PFX   0           H2N      PFX   0  -2.455  20.124   0.835
    4    H3N  PFX   0           H3N      PFX   0  -0.995  20.321   1.683
    5    H1B  PFX   0           1HB      PFX   0  -4.425  18.675   2.911
    6    H2B  PFX   0           2HB      PFX   0  -3.620  17.365   2.045
    7    HD1  PFX   0           HD1      PFX   0  -5.516  20.409   1.732
    8    HD2  PFX   0           HD2      PFX   0  -2.765  17.837  -0.326
    9    HE1  PFX   0           HE1      PFX   0  -6.178  21.429  -0.427
   10    HE2  PFX   0           HE2      PFX   0  -3.426  18.855  -2.485
   11    HNH  PFX   0           HNH      PFX   0  -2.088  16.148   2.146
   12    H11  PFX   0          1HNH      PFX   0  -1.409  16.679   4.794
   13    H21  PFX   0          2HNH      PFX   0   0.093  16.290   3.960
   14    H12  PFX   0           1H2      PFX   0  -2.204  14.536   4.643
   15    H22  PFX   0           2H2      PFX   0  -0.485  14.154   4.538
   16    H14  PFX   0           1H4      PFX   0  -1.459  12.264   3.680
   17    H24  PFX   0           2H4      PFX   0  -1.476  12.192   1.918
   18    H15  PFX   0           1H5      PFX   0  -3.840  13.418   2.308
   19    H25  PFX   0           2H5      PFX   0  -3.740  12.526   3.827
   20    H17  PFX   0           1H7      PFX   0  -5.772  11.779   2.555
   21    H27  PFX   0           2H7      PFX   0  -5.078  10.441   3.472
   22    H    ARG   1           H        ARG   1  -7.445  10.469   2.208
   23    HA   ARG   1           HA       ARG   1  -7.138   7.763   2.501
   24    HB2  ARG   1           2HB      ARG   1  -9.487   8.966   1.033
   25    HB3  ARG   1           1HB      ARG   1  -9.467   7.527   2.051
   26    HG2  ARG   1           2HG      ARG   1  -8.930  10.357   3.008
   27    HG3  ARG   1           1HG      ARG   1 -10.435   9.468   3.249
   28    HD2  ARG   1           2HD      ARG   1  -7.705   8.785   4.359
   29    HD3  ARG   1           1HD      ARG   1  -9.144   9.239   5.266
   30    HE   ARG   1           HE       ARG   1  -9.995   7.026   4.005
   31   HH11  ARG   1          1HH2      ARG   1  -7.063   7.765   5.687
   32   HH12  ARG   1          2HH2      ARG   1  -6.807   6.143   6.237
   33   HH21  ARG   1          1HH1      ARG   1  -9.666   4.895   4.723
   34   HH22  ARG   1          2HH1      ARG   1  -8.280   4.519   5.691
   35    H    SER   2           H        SER   2  -6.270   6.267   1.237
   36    HA   SER   2           HA       SER   2  -7.111   5.612  -1.319
   37    HB2  SER   2           2HB      SER   2  -4.896   7.626  -1.266
   38    HB3  SER   2           1HB      SER   2  -4.915   6.393  -2.523
   39    HG   SER   2           HG       SER   2  -7.084   7.071  -2.975
   40    H    CYS   3           H        CYS   3  -6.123   4.486   1.198
   41    HA   CYS   3           HA       CYS   3  -3.869   2.872   0.164
   42    HB2  CYS   3           2HB      CYS   3  -4.512   3.922   2.885
   43    HB3  CYS   3           1HB      CYS   3  -3.705   2.358   2.763
   44    H    ILE   4           H        ILE   4  -5.154   1.333  -0.869
   45    HA   ILE   4           HA       ILE   4  -6.510  -0.530   0.955
   46    HB   ILE   4           HB       ILE   4  -7.836  -0.253  -1.651
   47   HG12  ILE   4          2HG1      ILE   4  -7.245   2.148  -1.064
   48   HG13  ILE   4          1HG1      ILE   4  -8.969   1.819  -1.202
   49   HG21  ILE   4          1HG2      ILE   4  -9.838  -0.361  -0.165
   50   HG22  ILE   4          2HG2      ILE   4  -8.765  -0.325   1.234
   51   HG23  ILE   4          31HG      ILE   4  -8.705  -1.684   0.114
   52   HD11  ILE   4          3HD1      ILE   4  -9.315   2.433   0.932
   53   HD12  ILE   4          1HD1      ILE   4  -7.628   2.936   1.013
   54   HD13  ILE   4          2HD1      ILE   4  -8.087   1.306   1.501
   55    H    ASP   5           H        ASP   5  -6.672  -2.681   0.126
   56    HA   ASP   5           HA       ASP   5  -4.458  -3.372  -1.625
   57    HB2  ASP   5           2HB      ASP   5  -5.060  -5.705  -1.027
   58    HB3  ASP   5           1HB      ASP   5  -4.789  -4.693   0.391
   59    H    THR   6           H        THR   6  -4.783  -4.962  -3.391
   60    HA   THR   6           HA       THR   6  -7.418  -4.664  -4.696
   61    HB   THR   6           HB       THR   6  -6.384  -4.243  -6.810
   62    HG1  THR   6           1HG      THR   6  -3.903  -4.013  -6.528
   63   HG21  THR   6          31HG      THR   6  -6.425  -2.410  -4.927
   64   HG22  THR   6          1HG2      THR   6  -5.563  -2.096  -6.434
   65   HG23  THR   6          2HG2      THR   6  -4.670  -2.582  -4.992
   66    H    ILE   7           H        ILE   7  -5.151  -6.749  -3.473
   67    HA   ILE   7           HA       ILE   7  -6.189  -8.962  -5.130
   68    HB   ILE   7           HB       ILE   7  -3.927 -10.021  -4.980
   69   HG12  ILE   7          2HG1      ILE   7  -2.252  -7.843  -4.593
   70   HG13  ILE   7          1HG1      ILE   7  -3.492  -7.618  -3.359
   71   HG21  ILE   7          1HG2      ILE   7  -3.893  -9.166  -7.070
   72   HG22  ILE   7          2HG2      ILE   7  -2.961  -7.826  -6.402
   73   HG23  ILE   7          31HG      ILE   7  -4.714  -7.693  -6.553
   74   HD11  ILE   7          3HD1      ILE   7  -3.147 -10.100  -2.792
   75   HD12  ILE   7          1HD1      ILE   7  -1.852  -8.995  -2.327
   76   HD13  ILE   7          2HD1      ILE   7  -1.680 -10.001  -3.766
   77    HA   PRO   8           HA       PRO   8  -7.373 -11.142  -1.511
   78    HB2  PRO   8           2HB      PRO   8  -5.478 -13.265  -2.455
   79    HB3  PRO   8           1HB      PRO   8  -7.163 -13.415  -1.921
   80    HG2  PRO   8           2HG      PRO   8  -6.473 -13.448  -4.512
   81    HG3  PRO   8           1HG      PRO   8  -8.006 -12.772  -3.942
   82    HD2  PRO   8           2HD      PRO   8  -5.655 -11.369  -5.041
   83    HD3  PRO   8           1HD      PRO   8  -7.332 -10.803  -4.880
   84    H    LYS   9           H        LYS   9  -6.618 -10.486   0.422
   85    HA   LYS   9           HA       LYS   9  -4.010  -9.784   1.067
   86    HB2  LYS   9           2HB      LYS   9  -6.490 -10.333   2.551
   87    HB3  LYS   9           1HB      LYS   9  -5.015 -10.586   3.484
   88    HG2  LYS   9           2HG      LYS   9  -4.335  -8.361   3.268
   89    HG3  LYS   9           1HG      LYS   9  -5.311  -8.100   1.822
   90    HD2  LYS   9           2HD      LYS   9  -7.208  -7.653   3.017
   91    HD3  LYS   9           1HD      LYS   9  -6.813  -8.825   4.273
   92    HE2  LYS   9           2HE      LYS   9  -6.730  -6.291   4.874
   93    HE3  LYS   9           1HE      LYS   9  -5.408  -7.326   5.411
   94    HZ1  LYS   9           3HZ      LYS   9  -5.008  -6.287   2.773
   95    HZ2  LYS   9           1HZ      LYS   9  -3.969  -6.262   4.112
   96    HZ3  LYS   9           2HZ      LYS   9  -5.155  -5.058   3.937
   97    H    SER  10           H        SER  10  -5.395 -12.912   0.742
   98    HA   SER  10           HA       SER  10  -3.695 -14.373   2.484
   99    HB2  SER  10           2HB      SER  10  -4.838 -16.175   1.730
  100    HB3  SER  10           1HB      SER  10  -5.875 -14.981   0.951
  101    HG   SER  10           HG       SER  10  -4.532 -15.160  -0.896
  102    H    ARG  11           H        ARG  11  -3.109 -12.800  -0.484
  103    HA   ARG  11           HA       ARG  11  -0.854 -14.507  -1.217
  104    HB2  ARG  11           2HB      ARG  11  -2.394 -12.326  -2.493
  105    HB3  ARG  11           1HB      ARG  11  -0.681 -12.391  -2.899
  106    HG2  ARG  11           2HG      ARG  11  -2.400 -14.871  -2.978
  107    HG3  ARG  11           1HG      ARG  11  -2.319 -13.775  -4.357
  108    HD2  ARG  11           2HD      ARG  11  -0.592 -15.221  -4.890
  109    HD3  ARG  11           1HD      ARG  11   0.296 -14.012  -3.970
  110    HE   ARG  11           HE       ARG  11  -0.724 -16.141  -2.318
  111   HH11  ARG  11          1HH2      ARG  11   1.791 -15.136  -4.473
  112   HH12  ARG  11          2HH2      ARG  11   2.981 -16.202  -3.802
  113   HH21  ARG  11          1HH1      ARG  11   0.829 -17.546  -1.437
  114   HH22  ARG  11          2HH1      ARG  11   2.436 -17.567  -2.085
  115    H    CYS  12           H        CYS  12  -1.406 -11.995   0.907
  116    HA   CYS  12           HA       CYS  12   1.302 -10.871   0.617
  117    HB2  CYS  12           2HB      CYS  12  -0.735  -9.363   0.780
  118    HB3  CYS  12           1HB      CYS  12  -0.897  -9.907   2.449
  119    H    THR  13           H        THR  13   2.349 -12.762   1.476
  120    HA   THR  13           HA       THR  13   1.802 -13.492   4.246
  121    HB   THR  13           HB       THR  13   3.139 -15.355   3.884
  122    HG1  THR  13           1HG      THR  13   4.528 -13.576   2.274
  123   HG21  THR  13          31HG      THR  13   2.293 -16.319   1.956
  124   HG22  THR  13          1HG2      THR  13   2.567 -14.872   0.987
  125   HG23  THR  13          2HG2      THR  13   1.211 -14.936   2.111
  126    H    ALA  14           H        ALA  14   3.580 -13.595   5.818
  127    HA   ALA  14           HA       ALA  14   4.836 -11.106   6.172
  128    HB1  ALA  14           1HB      ALA  14   4.341 -12.815   7.968
  129    HB2  ALA  14           2HB      ALA  14   5.954 -12.104   8.048
  130    HB3  ALA  14           3HB      ALA  14   5.736 -13.725   7.389
  131    H    PHE  15           H        PHE  15   5.587 -13.601   4.060
  132    HA   PHE  15           HA       PHE  15   8.460 -13.017   4.012
  133    HB2  PHE  15           2HB      PHE  15   8.690 -15.119   3.263
  134    HB3  PHE  15           1HB      PHE  15   6.965 -15.338   3.534
  135    HD1  PHE  15           2HD      PHE  15   9.245 -13.772   0.982
  136    HD2  PHE  15           1HD      PHE  15   5.699 -16.080   1.729
  137    HE1  PHE  15           2HE      PHE  15   8.896 -14.028  -1.459
  138    HE2  PHE  15           1HE      PHE  15   5.349 -16.333  -0.713
  139    HZ   PHE  15           HZ       PHE  15   6.949 -15.308  -2.307
  140    H    GLN  16           H        GLN  16   5.559 -12.715   2.011
  141    HA   GLN  16           HA       GLN  16   6.857 -11.639  -0.278
  142    HB2  GLN  16           2HB      GLN  16   4.347 -12.545   0.253
  143    HB3  GLN  16           1HB      GLN  16   4.078 -10.802   0.267
  144    HG2  GLN  16           2HG      GLN  16   3.766 -11.515  -1.989
  145    HG3  GLN  16           1HG      GLN  16   5.330 -10.705  -1.940
  146   HE21  GLN  16          1HE2      GLN  16   3.819 -13.958  -1.925
  147   HE22  GLN  16          2HE2      GLN  16   5.183 -14.761  -2.539
  148    H    CYS  17           H        CYS  17   5.662 -10.297   2.715
  149    HA   CYS  17           HA       CYS  17   5.667  -7.552   1.899
  150    HB2  CYS  17           2HB      CYS  17   5.016  -9.068   4.250
  151    HB3  CYS  17           1HB      CYS  17   6.074  -7.731   4.698
  152    H    LYS  18           H        LYS  18   8.166  -9.609   2.011
  153    HA   LYS  18           HA       LYS  18  10.059  -7.472   2.762
  154    HB2  LYS  18           2HB      LYS  18   9.810  -9.456   4.437
  155    HB3  LYS  18           1HB      LYS  18  10.709 -10.372   3.227
  156    HG2  LYS  18           2HG      LYS  18  12.035  -7.866   3.554
  157    HG3  LYS  18           1HG      LYS  18  11.722  -8.515   5.163
  158    HD2  LYS  18           2HD      LYS  18  12.735 -10.672   4.473
  159    HD3  LYS  18           1HD      LYS  18  13.091  -9.982   2.889
  160    HE2  LYS  18           2HE      LYS  18  14.045  -8.214   4.965
  161    HE3  LYS  18           1HE      LYS  18  14.693  -9.836   5.211
  162    HZ1  LYS  18           3HZ      LYS  18  14.778  -9.220   2.472
  163    HZ2  LYS  18           1HZ      LYS  18  16.071  -9.526   3.526
  164    HZ3  LYS  18           2HZ      LYS  18  15.492  -7.940   3.333
  165    H    HIS  19           H        HIS  19   9.374 -10.348   0.851
  166    HA   HIS  19           HA       HIS  19  11.763 -10.003  -0.780
  167    HB2  HIS  19           2HB      HIS  19   9.441 -11.930  -1.052
  168    HB3  HIS  19           1HB      HIS  19  10.933 -11.978  -1.992
  169    HD1  HIS  19           1HD      HIS  19  10.298 -11.591   1.760
  170    HD2  HIS  19           2HD      HIS  19  12.488 -13.961  -0.880
  171    HE1  HIS  19           1HE      HIS  19  11.654 -13.187   3.185
  172    HE2  HIS  19           2HE      HIS  19  12.992 -14.640   1.591
  173    H    SER  20           H        SER  20   8.573  -8.849  -0.695
  174    HA   SER  20           HA       SER  20   8.856  -7.812  -3.443
  175    HB2  SER  20           2HB      SER  20   7.205  -9.779  -3.215
  176    HB3  SER  20           1HB      SER  20   6.187  -8.651  -2.323
  177    HG   SER  20           HG       SER  20   7.242  -7.659  -4.663
  178    H    NLE  21           H        NLE  21   8.843  -5.670  -3.403
  179    HA   NLE  21           HA       NLE  21   7.998  -4.220  -1.056
  180    HB2  NLE  21           1HB      NLE  21   8.604  -2.219  -2.530
  181    HB3  NLE  21           2HB      NLE  21   9.124  -3.400  -3.732
  182    HG2  NLE  21           1HG      NLE  21  10.676  -4.391  -2.090
  183    HG3  NLE  21           2HG      NLE  21  10.139  -3.229  -0.875
  184    HD2  NLE  21           1HD      NLE  21  11.031  -1.385  -2.137
  185    HD3  NLE  21           2HD      NLE  21  11.337  -2.414  -3.537
  186    HE1  NLE  21           3HE      NLE  21  12.928  -3.747  -2.101
  187    HE2  NLE  21           1HE      NLE  21  12.718  -2.533  -0.839
  188    HE3  NLE  21           2HE      NLE  21  13.440  -2.084  -2.384
  189    H    LYS  22           H        LYS  22   6.810  -4.688  -4.357
  190    HA   LYS  22           HA       LYS  22   4.757  -2.779  -4.356
  191    HB2  LYS  22           2HB      LYS  22   3.652  -4.544  -5.955
  192    HB3  LYS  22           1HB      LYS  22   5.129  -3.715  -6.446
  193    HG2  LYS  22           2HG      LYS  22   6.331  -5.629  -6.417
  194    HG3  LYS  22           1HG      LYS  22   5.667  -6.112  -4.856
  195    HD2  LYS  22           2HD      LYS  22   3.817  -7.175  -5.824
  196    HD3  LYS  22           1HD      LYS  22   3.966  -6.274  -7.332
  197    HE2  LYS  22           2HE      LYS  22   4.900  -8.843  -6.916
  198    HE3  LYS  22           1HE      LYS  22   5.433  -7.762  -8.204
  199    HZ1  LYS  22           3HZ      LYS  22   7.043  -8.820  -6.331
  200    HZ2  LYS  22           1HZ      LYS  22   6.702  -7.303  -5.654
  201    HZ3  LYS  22           2HZ      LYS  22   7.384  -7.404  -7.206
  202    H    TYR  23           H        TYR  23   5.133  -5.091  -2.126
  203    HA   TYR  23           HA       TYR  23   2.251  -5.676  -1.859
  204    HB2  TYR  23           2HB      TYR  23   4.750  -7.041  -0.967
  205    HB3  TYR  23           1HB      TYR  23   3.324  -7.190   0.057
  206    HD1  TYR  23           1HD      TYR  23   4.390  -7.488  -3.526
  207    HD2  TYR  23           2HD      TYR  23   1.701  -8.800  -0.443
  208    HE1  TYR  23           1HE      TYR  23   3.465  -9.203  -5.061
  209    HE2  TYR  23           2HE      TYR  23   0.776 -10.513  -1.980
  210    HH   TYR  23           HH       TYR  23   2.219 -11.134  -5.122
  211    H    ARG  24           H        ARG  24   5.039  -4.264  -0.267
  212    HA   ARG  24           HA       ARG  24   3.597  -3.620   2.158
  213    HB2  ARG  24           2HB      ARG  24   6.255  -2.460   1.374
  214    HB3  ARG  24           1HB      ARG  24   5.641  -2.824   2.985
  215    HG2  ARG  24           2HG      ARG  24   5.953  -5.155   2.707
  216    HG3  ARG  24           1HG      ARG  24   6.103  -5.017   0.958
  217    HD2  ARG  24           2HD      ARG  24   8.103  -4.240   3.074
  218    HD3  ARG  24           1HD      ARG  24   8.326  -5.310   1.694
  219    HE   ARG  24           HE       ARG  24   7.788  -2.953   0.492
  220   HH11  ARG  24          1HH2      ARG  24   9.903  -3.882   3.067
  221   HH12  ARG  24          2HH2      ARG  24  11.073  -2.648   2.736
  222   HH21  ARG  24          1HH1      ARG  24   9.313  -1.332   0.052
  223   HH22  ARG  24          2HH1      ARG  24  10.739  -1.205   1.027
  224    H    LEU  25           H        LEU  25   3.684  -2.274  -0.910
  225    HA   LEU  25           HA       LEU  25   2.529   0.205   0.096
  226    HB2  LEU  25           2HB      LEU  25   4.050   1.613  -1.279
  227    HB3  LEU  25           1HB      LEU  25   4.878   0.788   0.037
  228    HG   LEU  25           HG       LEU  25   5.149  -1.097  -1.865
  229   HD11  LEU  25          1HD1      LEU  25   4.491   1.390  -3.311
  230   HD12  LEU  25          2HD1      LEU  25   4.482  -0.279  -3.872
  231   HD13  LEU  25          3HD1      LEU  25   5.992   0.627  -3.831
  232   HD21  LEU  25          31HD      LEU  25   6.817   1.264  -1.091
  233   HD22  LEU  25          1HD2      LEU  25   7.383   0.223  -2.397
  234   HD23  LEU  25          2HD2      LEU  25   7.098  -0.451  -0.792
  235    H    SER  26           H        SER  26   1.436  -2.003  -1.368
  236    HA   SER  26           HA       SER  26   0.269  -0.529  -3.557
  237    HB2  SER  26           2HB      SER  26   2.520  -2.130  -4.135
  238    HB3  SER  26           1HB      SER  26   1.115  -3.024  -4.713
  239    HG   SER  26           HG       SER  26   0.510  -0.778  -5.539
  240    H    PHE  27           H        PHE  27   0.735  -3.878  -2.399
  241    HA   PHE  27           HA       PHE  27  -2.149  -4.358  -2.772
  242    HB2  PHE  27           2HB      PHE  27  -0.024  -6.384  -2.073
  243    HB3  PHE  27           1HB      PHE  27  -1.637  -6.691  -2.702
  244    HD1  PHE  27           1HD      PHE  27  -1.222  -4.079  -4.647
  245    HD2  PHE  27           2HD      PHE  27   0.833  -7.794  -3.965
  246    HE1  PHE  27           1HE      PHE  27  -0.319  -4.002  -6.946
  247    HE2  PHE  27           2HE      PHE  27   1.733  -7.712  -6.273
  248    HZ   PHE  27           HZ       PHE  27   1.158  -5.817  -7.762
  249    H    CYS  28           H        CYS  28   0.385  -4.510  -0.294
  250    HA   CYS  28           HA       CYS  28  -1.702  -5.006   1.732
  251    HB2  CYS  28           2HB      CYS  28   1.207  -5.062   2.403
  252    HB3  CYS  28           1HB      CYS  28  -0.114  -6.031   3.051
  253    H    ARG  29           H        ARG  29  -2.236  -2.664   1.217
  254    HA   ARG  29           HA       ARG  29  -0.440  -0.652   2.238
  255    HB2  ARG  29           2HB      ARG  29  -3.360  -0.215   1.690
  256    HB3  ARG  29           1HB      ARG  29  -2.022   0.916   1.519
  257    HG2  ARG  29           2HG      ARG  29  -2.132  -1.577  -0.170
  258    HG3  ARG  29           1HG      ARG  29  -3.033  -0.139  -0.632
  259    HD2  ARG  29           2HD      ARG  29  -0.056  -0.231  -0.088
  260    HD3  ARG  29           1HD      ARG  29  -0.797  -0.183  -1.682
  261    HE   ARG  29           HE       ARG  29  -1.562   2.057  -1.194
  262   HH11  ARG  29          1HH2      ARG  29   0.589   0.645   1.138
  263   HH12  ARG  29          2HH2      ARG  29   1.051   2.166   1.822
  264   HH21  ARG  29          1HH1      ARG  29  -0.956   4.041  -0.287
  265   HH22  ARG  29          2HH1      ARG  29   0.179   4.081   1.022
  266    H    LYS  30           H        LYS  30  -2.314  -2.893   3.768
  267    HA   LYS  30           HA       LYS  30  -2.576  -1.179   6.152
  268    HB2  LYS  30           2HB      LYS  30  -4.720  -3.160   5.410
  269    HB3  LYS  30           1HB      LYS  30  -4.791  -1.855   6.593
  270    HG2  LYS  30           2HG      LYS  30  -4.964  -0.193   4.928
  271    HG3  LYS  30           1HG      LYS  30  -4.359  -1.265   3.667
  272    HD2  LYS  30           2HD      LYS  30  -7.003  -1.603   5.108
  273    HD3  LYS  30           1HD      LYS  30  -6.808  -0.935   3.486
  274    HE2  LYS  30           2HE      LYS  30  -6.597  -3.749   4.410
  275    HE3  LYS  30           1HE      LYS  30  -7.152  -3.111   2.863
  276    HZ1  LYS  30           3HZ      LYS  30  -4.312  -3.084   3.714
  277    HZ2  LYS  30           1HZ      LYS  30  -4.930  -2.746   2.172
  278    HZ3  LYS  30           2HZ      LYS  30  -4.996  -4.330   2.784
  279    H    THR  31           H        THR  31  -2.647  -4.477   4.842
  280    HA   THR  31           HA       THR  31  -2.515  -5.904   7.228
  281    HB   THR  31           HB       THR  31  -1.788  -6.429   4.402
  282    HG1  THR  31           1HG      THR  31  -3.787  -6.909   5.697
  283   HG21  THR  31          31HG      THR  31   0.233  -7.260   5.415
  284   HG22  THR  31          1HG2      THR  31  -0.797  -8.652   5.073
  285   HG23  THR  31          2HG2      THR  31  -0.675  -8.027   6.717
  286    H    CYS  32           H        CYS  32   0.207  -4.935   5.133
  287    HA   CYS  32           HA       CYS  32   2.183  -5.600   7.100
  288    HB2  CYS  32           2HB      CYS  32   2.169  -4.899   4.370
  289    HB3  CYS  32           1HB      CYS  32   3.092  -3.636   5.184
  290    H    GLY  33           H        GLY  33  -0.116  -3.563   7.540
  291    HA2  GLY  33           2HA      GLY  33  -0.423  -1.484   8.514
  292    HA3  GLY  33           1HA      GLY  33   0.925  -2.010   9.523
  293    H    THR  34           H        THR  34   0.887  -1.279   6.047
  294    HA   THR  34           HA       THR  34   3.153   0.535   6.470
  295    HB   THR  34           HB       THR  34   3.149  -1.236   4.666
  296    HG1  THR  34           1HG      THR  34   3.741   1.432   4.462
  297   HG21  THR  34          31HG      THR  34   1.713  -1.128   2.869
  298   HG22  THR  34          1HG2      THR  34   1.517   0.621   3.000
  299   HG23  THR  34          2HG2      THR  34   0.662  -0.449   4.112
  300    H    CYS  35           H        CYS  35  -0.188   0.761   6.269
  301    HA   CYS  35           HA       CYS  35   0.013   3.651   5.782
  302    HB2  CYS  35           2HB      CYS  35  -0.815   2.103   3.741
  303    HB3  CYS  35           1HB      CYS  35  -2.349   2.313   4.586
  304    HN1  NH2  36           H2       NH2  36  -2.541   4.127   8.156
  305    HN2  NH2  36           H1       NH2  36  -1.456   4.853   7.072
  Start of MODEL   13
    1    HA   PFX   0           HA       PFX   0   3.321  18.108   1.692
    2    H1N  PFX   0           H1N      PFX   0   3.105  20.279   1.469
    3    H2N  PFX   0           H2N      PFX   0   2.518  20.412   3.057
    4    H3N  PFX   0           H3N      PFX   0   1.439  20.172   1.766
    5    H1B  PFX   0           1HB      PFX   0   3.504  18.868   4.165
    6    H2B  PFX   0           2HB      PFX   0   3.220  17.157   3.848
    7    HD1  PFX   0           HD1      PFX   0   1.588  16.145   5.144
    8    HD2  PFX   0           HD2      PFX   0   1.183  20.300   4.162
    9    HE1  PFX   0           HE1      PFX   0  -0.510  16.247   6.455
   10    HE2  PFX   0           HE2      PFX   0  -0.917  20.409   5.472
   11    HNH  PFX   0           HNH      PFX   0   1.157  16.137   2.992
   12    H11  PFX   0          1HNH      PFX   0   1.998  15.208   0.676
   13    H21  PFX   0          2HNH      PFX   0   0.557  16.058   0.122
   14    H12  PFX   0           1H2      PFX   0   0.467  13.993   2.329
   15    H22  PFX   0           2H2      PFX   0   0.268  13.571   0.628
   16    H14  PFX   0           1H4      PFX   0  -1.836  13.359   0.004
   17    H24  PFX   0           2H4      PFX   0  -3.150  14.055   0.953
   18    H15  PFX   0           1H5      PFX   0  -2.582  12.772   2.872
   19    H25  PFX   0           2H5      PFX   0  -1.004  12.340   2.212
   20    H17  PFX   0           1H7      PFX   0  -4.239  11.160   2.660
   21    H27  PFX   0           2H7      PFX   0  -2.781  10.309   3.170
   22    H    ARG   1           H        ARG   1  -5.457  10.363   0.974
   23    HA   ARG   1           HA       ARG   1  -6.228   7.892   2.062
   24    HB2  ARG   1           2HB      ARG   1  -7.663   9.776   0.975
   25    HB3  ARG   1           1HB      ARG   1  -7.348   8.910  -0.530
   26    HG2  ARG   1           2HG      ARG   1  -8.053   6.913   1.307
   27    HG3  ARG   1           1HG      ARG   1  -9.181   8.233   1.618
   28    HD2  ARG   1           2HD      ARG   1  -8.647   6.880  -1.036
   29    HD3  ARG   1           1HD      ARG   1 -10.140   6.831  -0.103
   30    HE   ARG   1           HE       ARG   1 -10.053   9.409  -0.505
   31   HH11  ARG   1          1HH2      ARG   1  -9.039   6.894  -2.662
   32   HH12  ARG   1          2HH2      ARG   1  -9.350   7.812  -4.096
   33   HH21  ARG   1          1HH1      ARG   1 -10.458  10.616  -2.381
   34   HH22  ARG   1          2HH1      ARG   1 -10.148   9.922  -3.938
   35    H    SER   2           H        SER   2  -4.238   6.646   1.569
   36    HA   SER   2           HA       SER   2  -4.424   5.453  -1.125
   37    HB2  SER   2           2HB      SER   2  -2.231   5.776  -1.489
   38    HB3  SER   2           1HB      SER   2  -2.255   6.863  -0.104
   39    HG   SER   2           HG       SER   2  -1.667   4.087  -0.156
   40    H    CYS   3           H        CYS   3  -5.664   4.675   1.455
   41    HA   CYS   3           HA       CYS   3  -4.264   2.172   2.085
   42    HB2  CYS   3           2HB      CYS   3  -6.318   3.849   3.438
   43    HB3  CYS   3           1HB      CYS   3  -6.400   2.110   3.710
   44    H    ILE   4           H        ILE   4  -4.833   1.532  -0.217
   45    HA   ILE   4           HA       ILE   4  -7.382   0.063  -0.162
   46    HB   ILE   4           HB       ILE   4  -7.205   0.773  -2.800
   47   HG12  ILE   4          2HG1      ILE   4  -6.522   3.232  -1.154
   48   HG13  ILE   4          1HG1      ILE   4  -5.370   2.385  -2.187
   49   HG21  ILE   4          1HG2      ILE   4  -8.737   1.776  -0.429
   50   HG22  ILE   4          2HG2      ILE   4  -9.314   0.884  -1.837
   51   HG23  ILE   4          31HG      ILE   4  -8.940   2.602  -1.975
   52   HD11  ILE   4          3HD1      ILE   4  -6.208   3.336  -4.054
   53   HD12  ILE   4          1HD1      ILE   4  -7.094   4.426  -2.986
   54   HD13  ILE   4          2HD1      ILE   4  -7.865   2.956  -3.586
   55    H    ASP   5           H        ASP   5  -7.080  -1.995  -0.664
   56    HA   ASP   5           HA       ASP   5  -4.614  -2.770  -2.087
   57    HB2  ASP   5           2HB      ASP   5  -4.990  -5.001  -1.046
   58    HB3  ASP   5           1HB      ASP   5  -4.746  -3.713   0.132
   59    H    THR   6           H        THR   6  -4.767  -4.695  -3.445
   60    HA   THR   6           HA       THR   6  -7.396  -5.202  -4.650
   61    HB   THR   6           HB       THR   6  -6.454  -4.909  -6.918
   62    HG1  THR   6           1HG      THR   6  -4.294  -3.500  -5.920
   63   HG21  THR   6          31HG      THR   6  -7.617  -3.035  -5.721
   64   HG22  THR   6          1HG2      THR   6  -6.445  -2.480  -6.919
   65   HG23  THR   6          2HG2      THR   6  -6.036  -2.450  -5.204
   66    H    ILE   7           H        ILE   7  -5.486  -6.627  -2.920
   67    HA   ILE   7           HA       ILE   7  -4.985  -8.970  -4.656
   68    HB   ILE   7           HB       ILE   7  -3.020  -7.426  -3.800
   69   HG12  ILE   7          2HG1      ILE   7  -3.095 -10.433  -3.929
   70   HG13  ILE   7          1HG1      ILE   7  -2.458  -9.297  -5.114
   71   HG21  ILE   7          1HG2      ILE   7  -2.096  -8.166  -1.668
   72   HG22  ILE   7          2HG2      ILE   7  -3.362  -9.376  -1.502
   73   HG23  ILE   7          31HG      ILE   7  -3.766  -7.661  -1.414
   74   HD11  ILE   7          3HD1      ILE   7  -1.271  -9.856  -2.382
   75   HD12  ILE   7          1HD1      ILE   7  -0.642  -8.698  -3.553
   76   HD13  ILE   7          2HD1      ILE   7  -0.630 -10.419  -3.922
   77    HA   PRO   8           HA       PRO   8  -7.611 -10.980  -1.627
   78    HB2  PRO   8           2HB      PRO   8  -6.237 -13.489  -2.003
   79    HB3  PRO   8           1HB      PRO   8  -7.849 -13.023  -2.562
   80    HG2  PRO   8           2HG      PRO   8  -5.399 -13.230  -4.057
   81    HG3  PRO   8           1HG      PRO   8  -7.046 -12.967  -4.643
   82    HD2  PRO   8           2HD      PRO   8  -4.987 -11.085  -4.672
   83    HD3  PRO   8           1HD      PRO   8  -6.711 -10.723  -4.870
   84    H    LYS   9           H        LYS   9  -6.577  -9.782   0.062
   85    HA   LYS   9           HA       LYS   9  -4.460  -9.646   1.446
   86    HB2  LYS   9           2HB      LYS   9  -6.158 -10.983   3.359
   87    HB3  LYS   9           1HB      LYS   9  -5.759  -9.273   3.228
   88    HG2  LYS   9           2HG      LYS   9  -8.135  -9.433   2.985
   89    HG3  LYS   9           1HG      LYS   9  -7.496  -9.126   1.374
   90    HD2  LYS   9           2HD      LYS   9  -8.845 -10.907   0.844
   91    HD3  LYS   9           1HD      LYS   9  -7.431 -11.823   1.361
   92    HE2  LYS   9           2HE      LYS   9  -8.367 -11.990   3.639
   93    HE3  LYS   9           1HE      LYS   9  -9.781 -11.070   3.123
   94    HZ1  LYS   9           3HZ      LYS   9 -10.154 -12.828   1.426
   95    HZ2  LYS   9           1HZ      LYS   9 -10.330 -13.362   3.026
   96    HZ3  LYS   9           2HZ      LYS   9  -8.921 -13.740   2.158
   97    H    SER  10           H        SER  10  -6.119 -12.801   1.481
   98    HA   SER  10           HA       SER  10  -4.372 -14.262   3.022
   99    HB2  SER  10           2HB      SER  10  -6.067 -14.995   0.656
  100    HB3  SER  10           1HB      SER  10  -5.044 -16.200   1.433
  101    HG   SER  10           HG       SER  10  -6.088 -15.635   3.414
  102    H    ARG  11           H        ARG  11  -3.423 -12.543   0.373
  103    HA   ARG  11           HA       ARG  11  -1.391 -14.508  -0.432
  104    HB2  ARG  11           2HB      ARG  11  -2.865 -12.451  -1.832
  105    HB3  ARG  11           1HB      ARG  11  -1.130 -12.205  -2.022
  106    HG2  ARG  11           2HG      ARG  11  -1.013 -14.733  -2.549
  107    HG3  ARG  11           1HG      ARG  11  -2.763 -14.643  -2.745
  108    HD2  ARG  11           2HD      ARG  11  -2.619 -13.388  -4.668
  109    HD3  ARG  11           1HD      ARG  11  -1.130 -12.592  -4.166
  110    HE   ARG  11           HE       ARG  11  -0.986 -15.445  -4.850
  111   HH11  ARG  11          1HH2      ARG  11  -0.420 -12.124  -5.647
  112   HH12  ARG  11          2HH2      ARG  11   0.743 -12.477  -6.881
  113   HH21  ARG  11          1HH1      ARG  11   0.542 -15.910  -6.462
  114   HH22  ARG  11          2HH1      ARG  11   1.294 -14.618  -7.335
  115    H    CYS  12           H        CYS  12  -1.807 -11.655   1.417
  116    HA   CYS  12           HA       CYS  12   0.937 -10.751   1.208
  117    HB2  CYS  12           2HB      CYS  12  -1.290  -9.991   3.107
  118    HB3  CYS  12           1HB      CYS  12   0.277  -9.189   3.027
  119    H    THR  13           H        THR  13   2.279 -12.385   1.864
  120    HA   THR  13           HA       THR  13   1.872 -13.571   4.522
  121    HB   THR  13           HB       THR  13   3.160 -15.340   3.818
  122    HG1  THR  13           1HG      THR  13   5.014 -15.035   2.871
  123   HG21  THR  13          31HG      THR  13   2.445 -15.967   1.673
  124   HG22  THR  13          1HG2      THR  13   2.556 -14.321   1.052
  125   HG23  THR  13          2HG2      THR  13   1.245 -14.764   2.145
  126    H    ALA  14           H        ALA  14   3.698 -13.702   6.006
  127    HA   ALA  14           HA       ALA  14   4.892 -11.225   6.535
  128    HB1  ALA  14           1HB      ALA  14   4.681 -13.606   7.881
  129    HB2  ALA  14           2HB      ALA  14   5.669 -12.242   8.404
  130    HB3  ALA  14           3HB      ALA  14   6.402 -13.563   7.494
  131    H    PHE  15           H        PHE  15   5.641 -13.556   4.205
  132    HA   PHE  15           HA       PHE  15   8.461 -12.802   3.991
  133    HB2  PHE  15           2HB      PHE  15   8.324 -15.059   3.558
  134    HB3  PHE  15           1HB      PHE  15   6.723 -14.933   2.834
  135    HD1  PHE  15           2HD      PHE  15   6.517 -13.795   0.545
  136    HD2  PHE  15           1HD      PHE  15  10.267 -15.064   2.208
  137    HE1  PHE  15           2HE      PHE  15   7.538 -13.728  -1.712
  138    HE2  PHE  15           1HE      PHE  15  11.289 -15.000  -0.051
  139    HZ   PHE  15           HZ       PHE  15   9.925 -14.331  -2.011
  140    H    GLN  16           H        GLN  16   5.423 -12.522   2.176
  141    HA   GLN  16           HA       GLN  16   6.583 -11.209  -0.072
  142    HB2  GLN  16           2HB      GLN  16   3.977 -12.070   0.768
  143    HB3  GLN  16           1HB      GLN  16   3.877 -10.395   0.232
  144    HG2  GLN  16           2HG      GLN  16   3.579 -11.585  -1.755
  145    HG3  GLN  16           1HG      GLN  16   5.298 -11.219  -1.803
  146   HE21  GLN  16          1HE2      GLN  16   5.619 -13.162  -3.166
  147   HE22  GLN  16          2HE2      GLN  16   5.599 -14.708  -2.464
  148    H    CYS  17           H        CYS  17   5.344 -10.200   3.012
  149    HA   CYS  17           HA       CYS  17   5.198  -7.390   2.464
  150    HB2  CYS  17           2HB      CYS  17   5.114  -9.130   4.906
  151    HB3  CYS  17           1HB      CYS  17   5.419  -7.408   5.116
  152    H    LYS  18           H        LYS  18   7.762  -8.846   1.804
  153    HA   LYS  18           HA       LYS  18   9.522  -6.775   2.739
  154    HB2  LYS  18           2HB      LYS  18   9.278  -8.915   4.467
  155    HB3  LYS  18           1HB      LYS  18  10.731  -9.305   3.543
  156    HG2  LYS  18           2HG      LYS  18  11.562  -6.971   3.999
  157    HG3  LYS  18           1HG      LYS  18  10.182  -6.746   5.075
  158    HD2  LYS  18           2HD      LYS  18  10.935  -8.734   6.387
  159    HD3  LYS  18           1HD      LYS  18  12.365  -8.831   5.358
  160    HE2  LYS  18           2HE      LYS  18  13.040  -6.573   6.044
  161    HE3  LYS  18           1HE      LYS  18  11.591  -6.427   7.039
  162    HZ1  LYS  18           3HZ      LYS  18  12.452  -8.567   8.133
  163    HZ2  LYS  18           1HZ      LYS  18  13.200  -7.098   8.535
  164    HZ3  LYS  18           2HZ      LYS  18  13.946  -8.156   7.435
  165    H    HIS  19           H        HIS  19   8.899  -9.550   0.746
  166    HA   HIS  19           HA       HIS  19  11.528  -9.228  -0.550
  167    HB2  HIS  19           2HB      HIS  19   9.538 -11.481  -0.849
  168    HB3  HIS  19           1HB      HIS  19  11.177 -11.430  -1.499
  169    HD1  HIS  19           1HD      HIS  19   9.806 -10.630   1.974
  170    HD2  HIS  19           2HD      HIS  19  12.699 -13.023   0.164
  171    HE1  HIS  19           1HE      HIS  19  11.042 -11.790   3.846
  172    HE2  HIS  19           2HE      HIS  19  12.807 -13.262   2.763
  173    H    SER  20           H        SER  20   8.229  -8.459  -1.035
  174    HA   SER  20           HA       SER  20   8.766  -8.072  -3.925
  175    HB2  SER  20           2HB      SER  20   6.160  -8.796  -2.576
  176    HB3  SER  20           1HB      SER  20   6.312  -8.356  -4.275
  177    HG   SER  20           HG       SER  20   8.070 -10.285  -3.350
  178    H    NLE  21           H        NLE  21   9.623  -5.995  -2.951
  179    HA   NLE  21           HA       NLE  21   8.743  -3.950  -1.694
  180    HB2  NLE  21           1HB      NLE  21   9.094  -3.555  -4.665
  181    HB3  NLE  21           2HB      NLE  21  10.436  -3.837  -3.557
  182    HG2  NLE  21           1HG      NLE  21   8.712  -1.792  -2.478
  183    HG3  NLE  21           2HG      NLE  21   9.149  -1.372  -4.133
  184    HD2  NLE  21           1HD      NLE  21  11.245  -2.335  -2.198
  185    HD3  NLE  21           2HD      NLE  21  10.737  -0.648  -2.197
  186    HE1  NLE  21           3HE      NLE  21  11.281  -0.488  -4.604
  187    HE2  NLE  21           1HE      NLE  21  11.800  -2.174  -4.595
  188    HE3  NLE  21           2HE      NLE  21  12.694  -0.972  -3.664
  189    H    LYS  22           H        LYS  22   7.005  -4.781  -4.710
  190    HA   LYS  22           HA       LYS  22   5.050  -2.752  -4.286
  191    HB2  LYS  22           2HB      LYS  22   3.978  -3.511  -6.233
  192    HB3  LYS  22           1HB      LYS  22   5.686  -3.801  -6.521
  193    HG2  LYS  22           2HG      LYS  22   4.177  -6.053  -5.291
  194    HG3  LYS  22           1HG      LYS  22   3.772  -5.658  -6.953
  195    HD2  LYS  22           2HD      LYS  22   6.666  -5.736  -6.385
  196    HD3  LYS  22           1HD      LYS  22   5.841  -7.284  -6.233
  197    HE2  LYS  22           2HE      LYS  22   6.527  -7.132  -8.516
  198    HE3  LYS  22           1HE      LYS  22   4.796  -6.801  -8.512
  199    HZ1  LYS  22           3HZ      LYS  22   7.038  -4.982  -8.973
  200    HZ2  LYS  22           1HZ      LYS  22   5.668  -4.356  -8.194
  201    HZ3  LYS  22           2HZ      LYS  22   5.523  -5.051  -9.738
  202    H    TYR  23           H        TYR  23   5.363  -4.477  -1.971
  203    HA   TYR  23           HA       TYR  23   2.583  -5.481  -1.841
  204    HB2  TYR  23           2HB      TYR  23   5.122  -6.690  -0.866
  205    HB3  TYR  23           1HB      TYR  23   3.688  -6.888   0.141
  206    HD1  TYR  23           1HD      TYR  23   4.699  -7.108  -3.473
  207    HD2  TYR  23           2HD      TYR  23   2.249  -8.690  -0.328
  208    HE1  TYR  23           1HE      TYR  23   3.874  -8.867  -5.004
  209    HE2  TYR  23           2HE      TYR  23   1.414 -10.443  -1.861
  210    HH   TYR  23           HH       TYR  23   2.774 -10.862  -5.086
  211    H    ARG  24           H        ARG  24   5.253  -4.109   0.137
  212    HA   ARG  24           HA       ARG  24   3.648  -3.453   2.376
  213    HB2  ARG  24           2HB      ARG  24   6.228  -2.275   1.338
  214    HB3  ARG  24           1HB      ARG  24   5.467  -1.735   2.831
  215    HG2  ARG  24           2HG      ARG  24   6.230  -3.526   3.965
  216    HG3  ARG  24           1HG      ARG  24   5.652  -4.639   2.724
  217    HD2  ARG  24           2HD      ARG  24   8.226  -3.040   2.618
  218    HD3  ARG  24           1HD      ARG  24   8.097  -4.779   2.888
  219    HE   ARG  24           HE       ARG  24   7.620  -3.372   0.363
  220   HH11  ARG  24          1HH2      ARG  24   7.738  -6.259   2.226
  221   HH12  ARG  24          2HH2      ARG  24   7.423  -7.308   0.884
  222   HH21  ARG  24          1HH1      ARG  24   7.169  -4.735  -1.387
  223   HH22  ARG  24          2HH1      ARG  24   7.094  -6.444  -1.148
  224    H    LEU  25           H        LEU  25   4.074  -1.892  -0.725
  225    HA   LEU  25           HA       LEU  25   2.152   0.165   0.119
  226    HB2  LEU  25           2HB      LEU  25   3.490   1.948  -0.874
  227    HB3  LEU  25           1HB      LEU  25   4.397   1.141   0.406
  228    HG   LEU  25           HG       LEU  25   4.835  -0.209  -2.113
  229   HD11  LEU  25          1HD1      LEU  25   5.689   2.697  -2.069
  230   HD12  LEU  25          2HD1      LEU  25   4.282   2.124  -2.964
  231   HD13  LEU  25          3HD1      LEU  25   5.892   1.537  -3.383
  232   HD21  LEU  25          31HD      LEU  25   6.613   1.367  -0.224
  233   HD22  LEU  25          1HD2      LEU  25   7.206   0.348  -1.535
  234   HD23  LEU  25          2HD2      LEU  25   6.328  -0.373  -0.187
  235    H    SER  26           H        SER  26   1.356  -1.903  -1.402
  236    HA   SER  26           HA       SER  26   0.565  -0.578  -3.831
  237    HB2  SER  26           2HB      SER  26   2.763  -2.509  -3.899
  238    HB3  SER  26           1HB      SER  26   1.432  -2.945  -4.964
  239    HG   SER  26           HG       SER  26   2.710  -1.567  -6.109
  240    H    PHE  27           H        PHE  27   0.926  -3.878  -2.560
  241    HA   PHE  27           HA       PHE  27  -1.901  -4.394  -3.175
  242    HB2  PHE  27           2HB      PHE  27   0.234  -6.337  -2.315
  243    HB3  PHE  27           1HB      PHE  27  -1.314  -6.704  -3.034
  244    HD1  PHE  27           1HD      PHE  27  -1.205  -4.364  -5.138
  245    HD2  PHE  27           2HD      PHE  27   1.552  -7.441  -3.965
  246    HE1  PHE  27           1HE      PHE  27  -0.140  -4.260  -7.365
  247    HE2  PHE  27           2HE      PHE  27   2.614  -7.342  -6.199
  248    HZ   PHE  27           HZ       PHE  27   1.768  -5.750  -7.902
  249    H    CYS  28           H        CYS  28   0.409  -5.030  -0.525
  250    HA   CYS  28           HA       CYS  28  -1.838  -5.381   1.304
  251    HB2  CYS  28           2HB      CYS  28   1.038  -5.530   2.115
  252    HB3  CYS  28           1HB      CYS  28  -0.346  -6.396   2.779
  253    H    ARG  29           H        ARG  29  -2.299  -3.049   0.854
  254    HA   ARG  29           HA       ARG  29  -0.640  -1.004   1.877
  255    HB2  ARG  29           2HB      ARG  29  -3.607  -1.130   1.352
  256    HB3  ARG  29           1HB      ARG  29  -2.726   0.352   1.713
  257    HG2  ARG  29           2HG      ARG  29  -1.322  -1.049  -0.356
  258    HG3  ARG  29           1HG      ARG  29  -3.025  -0.965  -0.807
  259    HD2  ARG  29           2HD      ARG  29  -1.439   1.012  -1.454
  260    HD3  ARG  29           1HD      ARG  29  -3.043   1.368  -0.827
  261    HE   ARG  29           HE       ARG  29  -2.005   1.857   1.322
  262   HH11  ARG  29          1HH2      ARG  29   0.118   1.474  -1.400
  263   HH12  ARG  29          2HH2      ARG  29   1.429   2.322  -0.655
  264   HH21  ARG  29          1HH1      ARG  29  -0.289   2.948   2.288
  265   HH22  ARG  29          2HH1      ARG  29   1.201   3.156   1.427
  266    H    LYS  30           H        LYS  30  -2.260  -3.419   3.529
  267    HA   LYS  30           HA       LYS  30  -2.249  -1.812   5.994
  268    HB2  LYS  30           2HB      LYS  30  -4.357  -3.886   5.829
  269    HB3  LYS  30           1HB      LYS  30  -4.383  -2.313   6.613
  270    HG2  LYS  30           2HG      LYS  30  -5.691  -1.632   4.908
  271    HG3  LYS  30           1HG      LYS  30  -4.257  -1.687   3.896
  272    HD2  LYS  30           2HD      LYS  30  -6.136  -4.017   4.369
  273    HD3  LYS  30           1HD      LYS  30  -6.126  -3.002   2.927
  274    HE2  LYS  30           2HE      LYS  30  -3.701  -3.644   2.605
  275    HE3  LYS  30           1HE      LYS  30  -3.910  -4.817   3.903
  276    HZ1  LYS  30           3HZ      LYS  30  -6.032  -5.093   2.096
  277    HZ2  LYS  30           1HZ      LYS  30  -4.815  -6.214   2.471
  278    HZ3  LYS  30           2HZ      LYS  30  -4.583  -5.098   1.211
  279    H    THR  31           H        THR  31  -2.446  -5.100   4.637
  280    HA   THR  31           HA       THR  31  -1.940  -6.566   6.916
  281    HB   THR  31           HB       THR  31  -0.428  -7.664   4.707
  282    HG1  THR  31           1HG      THR  31  -1.837  -6.159   3.589
  283   HG21  THR  31          31HG      THR  31  -2.332  -9.358   4.898
  284   HG22  THR  31          1HG2      THR  31  -2.985  -8.336   6.177
  285   HG23  THR  31          2HG2      THR  31  -1.399  -9.083   6.368
  286    H    CYS  32           H        CYS  32   0.585  -5.548   4.582
  287    HA   CYS  32           HA       CYS  32   2.779  -6.241   6.156
  288    HB2  CYS  32           2HB      CYS  32   2.487  -3.934   4.219
  289    HB3  CYS  32           1HB      CYS  32   4.020  -4.470   4.898
  290    H    GLY  33           H        GLY  33   0.335  -4.196   6.938
  291    HA2  GLY  33           2HA      GLY  33   0.015  -2.754   8.702
  292    HA3  GLY  33           1HA      GLY  33   1.622  -3.202   9.275
  293    H    THR  34           H        THR  34   0.915  -1.904   6.076
  294    HA   THR  34           HA       THR  34   2.784   0.283   6.638
  295    HB   THR  34           HB       THR  34   3.103  -0.974   4.578
  296    HG1  THR  34           1HG      THR  34   3.569   1.261   4.589
  297   HG21  THR  34          31HG      THR  34   0.933  -0.018   3.005
  298   HG22  THR  34          1HG2      THR  34   0.255  -0.778   4.445
  299   HG23  THR  34          2HG2      THR  34   1.339  -1.691   3.395
  300    H    CYS  35           H        CYS  35  -0.650  -0.145   5.856
  301    HA   CYS  35           HA       CYS  35  -1.493   2.326   5.144
  302    HB2  CYS  35           2HB      CYS  35  -2.657   0.178   6.752
  303    HB3  CYS  35           1HB      CYS  35  -3.317   1.766   7.131
  304    HN1  NH2  36           H2       NH2  36  -0.404   3.034   9.020
  305    HN2  NH2  36           H1       NH2  36  -0.478   1.440   8.444
  Start of MODEL   14
    1    HA   PFX   0           HA       PFX   0  -5.648  18.390   0.056
    2    H1N  PFX   0           H1N      PFX   0  -7.838  19.965   0.029
    3    H2N  PFX   0           H2N      PFX   0  -7.885  19.276  -1.523
    4    H3N  PFX   0           H3N      PFX   0  -6.509  20.130  -1.011
    5    H1B  PFX   0           1HB      PFX   0  -7.152  16.841   1.400
    6    H2B  PFX   0           2HB      PFX   0  -8.499  17.879   0.936
    7    HD1  PFX   0           HD1      PFX   0  -5.274  17.760   2.764
    8    HD2  PFX   0           HD2      PFX   0  -8.800  20.051   1.905
    9    HE1  PFX   0           HE1      PFX   0  -4.687  19.343   4.578
   10    HE2  PFX   0           HE2      PFX   0  -8.216  21.634   3.718
   11    HNH  PFX   0           HNH      PFX   0  -4.869  17.182  -1.589
   12    H11  PFX   0          1HNH      PFX   0  -4.670  15.304  -2.905
   13    H21  PFX   0          2HNH      PFX   0  -6.294  15.677  -3.476
   14    H12  PFX   0           1H2      PFX   0  -7.307  14.279  -1.918
   15    H22  PFX   0           2H2      PFX   0  -5.963  14.403  -0.782
   16    H14  PFX   0           1H4      PFX   0  -5.606  12.169  -4.242
   17    H24  PFX   0           2H4      PFX   0  -6.616  13.611  -4.144
   18    H15  PFX   0           1H5      PFX   0  -7.350  10.845  -3.719
   19    H25  PFX   0           2H5      PFX   0  -8.392  12.263  -3.820
   20    H17  PFX   0           1H7      PFX   0  -6.929  10.863  -0.210
   21    H27  PFX   0           2H7      PFX   0  -5.938  10.771  -1.666
   22    H    ARG   1           H        ARG   1  -7.888   9.070   0.343
   23    HA   ARG   1           HA       ARG   1  -7.837   6.759   0.367
   24    HB2  ARG   1           2HB      ARG   1 -10.067   7.596  -0.789
   25    HB3  ARG   1           1HB      ARG   1  -9.360   6.813  -2.205
   26    HG2  ARG   1           2HG      ARG   1  -9.304   4.695  -1.152
   27    HG3  ARG   1           1HG      ARG   1  -9.519   5.390   0.454
   28    HD2  ARG   1           2HD      ARG   1 -11.640   4.491  -0.111
   29    HD3  ARG   1           1HD      ARG   1 -11.794   6.225  -0.375
   30    HE   ARG   1           HE       ARG   1 -11.222   5.571  -2.820
   31   HH11  ARG   1          1HH2      ARG   1 -13.001   3.648  -0.543
   32   HH12  ARG   1          2HH2      ARG   1 -13.936   2.843  -1.757
   33   HH21  ARG   1          1HH1      ARG   1 -12.455   4.514  -4.402
   34   HH22  ARG   1          2HH1      ARG   1 -13.628   3.329  -3.932
   35    H    SER   2           H        SER   2  -5.483   6.867  -0.199
   36    HA   SER   2           HA       SER   2  -4.972   5.812  -2.910
   37    HB2  SER   2           2HB      SER   2  -2.575   6.445  -2.408
   38    HB3  SER   2           1HB      SER   2  -3.689   7.803  -2.529
   39    HG   SER   2           HG       SER   2  -3.891   7.428  -0.128
   40    H    CYS   3           H        CYS   3  -5.493   4.792   0.150
   41    HA   CYS   3           HA       CYS   3  -3.528   2.590   0.015
   42    HB2  CYS   3           2HB      CYS   3  -4.214   4.268   2.121
   43    HB3  CYS   3           1HB      CYS   3  -5.100   2.785   2.465
   44    H    ILE   4           H        ILE   4  -4.551   1.107  -1.306
   45    HA   ILE   4           HA       ILE   4  -6.766  -0.333  -0.135
   46    HB   ILE   4           HB       ILE   4  -7.782   0.001  -2.682
   47   HG12  ILE   4          2HG1      ILE   4  -7.114   2.757  -1.640
   48   HG13  ILE   4          1HG1      ILE   4  -6.070   1.937  -2.803
   49   HG21  ILE   4          1HG2      ILE   4  -9.362   1.641  -1.358
   50   HG22  ILE   4          2HG2      ILE   4  -8.407   1.128   0.031
   51   HG23  ILE   4          31HG      ILE   4  -9.301  -0.063  -0.910
   52   HD11  ILE   4          3HD1      ILE   4  -8.786   1.688  -3.687
   53   HD12  ILE   4          1HD1      ILE   4  -7.450   2.521  -4.480
   54   HD13  ILE   4          2HD1      ILE   4  -8.466   3.385  -3.326
   55    H    ASP   5           H        ASP   5  -6.477  -2.420  -0.525
   56    HA   ASP   5           HA       ASP   5  -4.461  -3.281  -2.417
   57    HB2  ASP   5           2HB      ASP   5  -4.875  -5.511  -1.498
   58    HB3  ASP   5           1HB      ASP   5  -4.667  -4.343  -0.193
   59    H    THR   6           H        THR   6  -4.889  -4.995  -3.991
   60    HA   THR   6           HA       THR   6  -7.658  -4.989  -5.014
   61    HB   THR   6           HB       THR   6  -6.689  -4.917  -7.326
   62    HG1  THR   6           1HG      THR   6  -4.480  -3.898  -7.211
   63   HG21  THR   6          31HG      THR   6  -7.478  -2.895  -5.836
   64   HG22  THR   6          1HG2      THR   6  -6.665  -2.590  -7.371
   65   HG23  THR   6          2HG2      THR   6  -5.767  -2.469  -5.858
   66    H    ILE   7           H        ILE   7  -5.540  -6.831  -3.585
   67    HA   ILE   7           HA       ILE   7  -6.183  -9.186  -5.238
   68    HB   ILE   7           HB       ILE   7  -4.025  -9.679  -5.561
   69   HG12  ILE   7          2HG1      ILE   7  -4.010 -10.671  -3.253
   70   HG13  ILE   7          1HG1      ILE   7  -2.445 -10.030  -3.741
   71   HG21  ILE   7          1HG2      ILE   7  -3.457  -7.119  -4.044
   72   HG22  ILE   7          2HG2      ILE   7  -3.851  -7.224  -5.760
   73   HG23  ILE   7          31HG      ILE   7  -2.353  -7.931  -5.154
   74   HD11  ILE   7          3HD1      ILE   7  -3.889  -7.895  -2.525
   75   HD12  ILE   7          1HD1      ILE   7  -2.430  -8.694  -1.937
   76   HD13  ILE   7          2HD1      ILE   7  -4.013  -9.300  -1.464
   77    HA   PRO   8           HA       PRO   8  -7.901 -11.017  -1.659
   78    HB2  PRO   8           2HB      PRO   8  -6.723 -13.577  -1.924
   79    HB3  PRO   8           1HB      PRO   8  -8.285 -13.058  -2.576
   80    HG2  PRO   8           2HG      PRO   8  -5.689 -13.363  -3.926
   81    HG3  PRO   8           1HG      PRO   8  -7.329 -13.454  -4.585
   82    HD2  PRO   8           2HD      PRO   8  -5.660 -11.328  -5.020
   83    HD3  PRO   8           1HD      PRO   8  -7.432 -11.187  -5.006
   84    H    LYS   9           H        LYS   9  -7.000 -10.130   0.166
   85    HA   LYS   9           HA       LYS   9  -4.500  -9.870   1.064
   86    HB2  LYS   9           2HB      LYS   9  -6.996 -10.623   2.540
   87    HB3  LYS   9           1HB      LYS   9  -5.465 -10.546   3.414
   88    HG2  LYS   9           2HG      LYS   9  -5.119  -8.238   2.528
   89    HG3  LYS   9           1HG      LYS   9  -6.712  -8.320   1.775
   90    HD2  LYS   9           2HD      LYS   9  -7.023  -7.194   3.864
   91    HD3  LYS   9           1HD      LYS   9  -7.646  -8.828   4.090
   92    HE2  LYS   9           2HE      LYS   9  -6.098  -7.886   5.932
   93    HE3  LYS   9           1HE      LYS   9  -5.744  -9.504   5.328
   94    HZ1  LYS   9           3HZ      LYS   9  -4.010  -8.686   3.991
   95    HZ2  LYS   9           1HZ      LYS   9  -3.803  -7.939   5.500
   96    HZ3  LYS   9           2HZ      LYS   9  -4.484  -7.068   4.209
   97    H    SER  10           H        SER  10  -6.123 -12.907   0.640
   98    HA   SER  10           HA       SER  10  -4.442 -14.522   2.261
   99    HB2  SER  10           2HB      SER  10  -5.381 -16.394   1.037
  100    HB3  SER  10           1HB      SER  10  -6.661 -15.232   1.374
  101    HG   SER  10           HG       SER  10  -6.192 -16.178  -0.912
  102    H    ARG  11           H        ARG  11  -3.245 -12.552   0.227
  103    HA   ARG  11           HA       ARG  11  -1.389 -14.467  -1.057
  104    HB2  ARG  11           2HB      ARG  11  -2.672 -11.964  -2.033
  105    HB3  ARG  11           1HB      ARG  11  -1.002 -12.252  -2.517
  106    HG2  ARG  11           2HG      ARG  11  -2.721 -14.628  -2.758
  107    HG3  ARG  11           1HG      ARG  11  -3.211 -13.289  -3.795
  108    HD2  ARG  11           2HD      ARG  11  -0.426 -14.476  -3.644
  109    HD3  ARG  11           1HD      ARG  11  -1.580 -14.728  -4.947
  110    HE   ARG  11           HE       ARG  11  -0.330 -12.122  -4.294
  111   HH11  ARG  11          1HH2      ARG  11  -1.853 -14.340  -6.490
  112   HH12  ARG  11          2HH2      ARG  11  -1.635 -13.322  -7.871
  113   HH21  ARG  11          1HH1      ARG  11  -0.057 -10.795  -6.103
  114   HH22  ARG  11          2HH1      ARG  11  -0.626 -11.317  -7.654
  115    H    CYS  12           H        CYS  12  -1.764 -12.044   1.257
  116    HA   CYS  12           HA       CYS  12   0.926 -10.976   1.094
  117    HB2  CYS  12           2HB      CYS  12  -1.446 -10.543   2.868
  118    HB3  CYS  12           1HB      CYS  12   0.150 -10.048   3.435
  119    H    THR  13           H        THR  13   2.450 -12.490   1.495
  120    HA   THR  13           HA       THR  13   2.167 -14.100   3.957
  121    HB   THR  13           HB       THR  13   3.387 -15.790   2.962
  122    HG1  THR  13           1HG      THR  13   4.466 -14.580   0.815
  123   HG21  THR  13          31HG      THR  13   1.316 -14.850   1.514
  124   HG22  THR  13          1HG2      THR  13   2.251 -16.260   1.029
  125   HG23  THR  13          2HG2      THR  13   2.601 -14.680   0.318
  126    H    ALA  14           H        ALA  14   4.131 -14.450   5.224
  127    HA   ALA  14           HA       ALA  14   5.421 -12.070   5.936
  128    HB1  ALA  14           1HB      ALA  14   5.389 -14.760   6.842
  129    HB2  ALA  14           2HB      ALA  14   6.021 -13.340   7.676
  130    HB3  ALA  14           3HB      ALA  14   7.076 -14.290   6.634
  131    H    PHE  15           H        PHE  15   5.849 -13.940   3.216
  132    HA   PHE  15           HA       PHE  15   8.701 -13.350   2.910
  133    HB2  PHE  15           2HB      PHE  15   8.427 -15.460   2.063
  134    HB3  PHE  15           1HB      PHE  15   6.749 -15.170   1.606
  135    HD1  PHE  15           2HD      PHE  15  10.171 -13.890   0.736
  136    HD2  PHE  15           1HD      PHE  15   6.274 -15.020  -0.669
  137    HE1  PHE  15           2HE      PHE  15  10.883 -13.450  -1.599
  138    HE2  PHE  15           1HE      PHE  15   6.984 -14.580  -3.003
  139    HZ   PHE  15           HZ       PHE  15   9.289 -13.790  -3.468
  140    H    GLN  16           H        GLN  16   5.558 -12.420   1.659
  141    HA   GLN  16           HA       GLN  16   6.600 -10.840  -0.511
  142    HB2  GLN  16           2HB      GLN  16   3.866 -10.870   0.793
  143    HB3  GLN  16           1HB      GLN  16   4.266 -10.050  -0.717
  144    HG2  GLN  16           2HG      GLN  16   4.864 -12.980  -0.384
  145    HG3  GLN  16           1HG      GLN  16   3.240 -12.450  -0.819
  146   HE21  GLN  16          1HE2      GLN  16   6.617 -12.520  -1.932
  147   HE22  GLN  16          2HE2      GLN  16   6.265 -12.140  -3.550
  148    H    CYS  17           H        CYS  17   5.416 -10.190   2.760
  149    HA   CYS  17           HA       CYS  17   5.648  -7.340   2.552
  150    HB2  CYS  17           2HB      CYS  17   4.139  -8.590   4.143
  151    HB3  CYS  17           1HB      CYS  17   5.578  -9.010   5.070
  152    H    LYS  18           H        LYS  18   7.990  -9.620   2.520
  153    HA   LYS  18           HA       LYS  18   9.905  -7.900   3.975
  154    HB2  LYS  18           2HB      LYS  18   9.775 -10.900   3.695
  155    HB3  LYS  18           1HB      LYS  18  11.267 -10.070   4.138
  156    HG2  LYS  18           2HG      LYS  18   9.761  -8.880   5.929
  157    HG3  LYS  18           1HG      LYS  18   8.685 -10.250   5.661
  158    HD2  LYS  18           2HD      LYS  18  10.539 -11.810   6.155
  159    HD3  LYS  18           1HD      LYS  18  11.610 -10.440   6.434
  160    HE2  LYS  18           2HE      LYS  18   9.081 -10.340   7.952
  161    HE3  LYS  18           1HE      LYS  18  10.152 -11.670   8.396
  162    HZ1  LYS  18           3HZ      LYS  18  10.831  -9.890   9.715
  163    HZ2  LYS  18           1HZ      LYS  18  10.706  -8.770   8.449
  164    HZ3  LYS  18           2HZ      LYS  18  11.963  -9.910   8.448
  165    H    HIS  19           H        HIS  19   9.300  -9.910   1.156
  166    HA   HIS  19           HA       HIS  19  11.798  -8.940  -0.067
  167    HB2  HIS  19           2HB      HIS  19   9.995 -11.180  -0.999
  168    HB3  HIS  19           1HB      HIS  19  11.613 -10.800  -1.592
  169    HD1  HIS  19           1HD      HIS  19  10.084 -11.420   1.860
  170    HD2  HIS  19           2HD      HIS  19  13.454 -12.440  -0.372
  171    HE1  HIS  19           1HE      HIS  19  11.499 -12.910   3.340
  172    HE2  HIS  19           2HE      HIS  19  13.560 -13.540   1.994
  173    H    SER  20           H        SER  20   8.315  -9.300  -0.667
  174    HA   SER  20           HA       SER  20   8.475  -7.790  -3.142
  175    HB2  SER  20           2HB      SER  20   6.040  -8.700  -1.594
  176    HB3  SER  20           1HB      SER  20   6.065  -8.100  -3.249
  177    HG   SER  20           HG       SER  20   7.607 -10.320  -2.394
  178    H    NLE  21           H        NLE  21   8.580  -5.650  -3.185
  179    HA   NLE  21           HA       NLE  21   7.971  -4.080  -0.841
  180    HB2  NLE  21           1HB      NLE  21   9.068  -3.480  -3.579
  181    HB3  NLE  21           2HB      NLE  21   9.875  -3.340  -2.017
  182    HG2  NLE  21           1HG      NLE  21   8.032  -1.580  -1.487
  183    HG3  NLE  21           2HG      NLE  21   7.798  -1.540  -3.237
  184    HD2  NLE  21           1HD      NLE  21  10.373  -1.230  -3.357
  185    HD3  NLE  21           2HD      NLE  21  10.258  -0.810  -1.650
  186    HE1  NLE  21           3HE      NLE  21   8.235   0.570  -3.231
  187    HE2  NLE  21           1HE      NLE  21   9.861   0.910  -3.819
  188    HE3  NLE  21           2HE      NLE  21   9.445   1.230  -2.137
  189    H    LYS  22           H        LYS  22   6.557  -4.660  -4.008
  190    HA   LYS  22           HA       LYS  22   4.633  -2.600  -4.003
  191    HB2  LYS  22           2HB      LYS  22   3.366  -4.200  -5.530
  192    HB3  LYS  22           1HB      LYS  22   4.997  -3.760  -6.039
  193    HG2  LYS  22           2HG      LYS  22   5.392  -5.980  -4.392
  194    HG3  LYS  22           1HG      LYS  22   3.939  -6.380  -5.299
  195    HD2  LYS  22           2HD      LYS  22   5.086  -5.850  -7.401
  196    HD3  LYS  22           1HD      LYS  22   6.542  -5.420  -6.502
  197    HE2  LYS  22           2HE      LYS  22   5.232  -8.160  -6.417
  198    HE3  LYS  22           1HE      LYS  22   6.618  -7.750  -7.429
  199    HZ1  LYS  22           3HZ      LYS  22   6.699  -8.610  -4.835
  200    HZ2  LYS  22           1HZ      LYS  22   7.000  -6.950  -4.718
  201    HZ3  LYS  22           2HZ      LYS  22   7.983  -7.920  -5.706
  202    H    TYR  23           H        TYR  23   4.946  -5.300  -2.002
  203    HA   TYR  23           HA       TYR  23   2.096  -5.660  -1.535
  204    HB2  TYR  23           2HB      TYR  23   4.613  -6.910  -0.533
  205    HB3  TYR  23           1HB      TYR  23   3.187  -7.000   0.502
  206    HD1  TYR  23           2HD      TYR  23   4.018  -7.350  -3.151
  207    HD2  TYR  23           1HD      TYR  23   1.812  -8.850   0.214
  208    HE1  TYR  23           2HE      TYR  23   3.100  -9.160  -4.565
  209    HE2  TYR  23           1HE      TYR  23   0.892 -10.670  -1.201
  210    HH   TYR  23           HH       TYR  23   2.149 -11.600  -4.018
  211    H    ARG  24           H        ARG  24   4.880  -4.240   0.173
  212    HA   ARG  24           HA       ARG  24   3.346  -3.410   2.447
  213    HB2  ARG  24           2HB      ARG  24   5.972  -2.210   1.598
  214    HB3  ARG  24           1HB      ARG  24   5.330  -2.410   3.228
  215    HG2  ARG  24           2HG      ARG  24   5.482  -4.880   2.957
  216    HG3  ARG  24           1HG      ARG  24   6.206  -4.640   1.367
  217    HD2  ARG  24           2HD      ARG  24   7.338  -3.940   4.072
  218    HD3  ARG  24           1HD      ARG  24   8.064  -4.910   2.800
  219    HE   ARG  24           HE       ARG  24   7.830  -1.970   2.789
  220   HH11  ARG  24          1HH2      ARG  24   9.077  -4.940   1.503
  221   HH12  ARG  24          2HH2      ARG  24  10.219  -4.160   0.463
  222   HH21  ARG  24          1HH1      ARG  24   9.320  -0.960   1.418
  223   HH22  ARG  24          2HH1      ARG  24  10.354  -1.910   0.410
  224    H    LEU  25           H        LEU  25   2.861  -2.370  -0.561
  225    HA   LEU  25           HA       LEU  25   1.747   0.110   0.295
  226    HB2  LEU  25           2HB      LEU  25   3.175   1.680  -0.716
  227    HB3  LEU  25           1HB      LEU  25   4.246   0.590   0.148
  228    HG   LEU  25           HG       LEU  25   3.938  -0.610  -2.358
  229   HD11  LEU  25          1HD1      LEU  25   3.911   0.950  -4.013
  230   HD12  LEU  25          2HD1      LEU  25   4.888   2.080  -3.086
  231   HD13  LEU  25          3HD1      LEU  25   3.152   1.980  -2.806
  232   HD21  LEU  25          31HD      LEU  25   6.281  -0.170  -2.564
  233   HD22  LEU  25          1HD2      LEU  25   5.957  -0.360  -0.843
  234   HD23  LEU  25          2HD2      LEU  25   6.177   1.240  -1.531
  235    H    SER  26           H        SER  26   0.967  -2.260  -1.254
  236    HA   SER  26           HA       SER  26  -0.391  -0.850  -3.382
  237    HB2  SER  26           2HB      SER  26   2.046  -1.940  -4.097
  238    HB3  SER  26           1HB      SER  26   0.915  -3.220  -4.520
  239    HG   SER  26           HG       SER  26   0.323  -2.030  -6.137
  240    H    PHE  27           H        PHE  27   0.565  -4.190  -2.609
  241    HA   PHE  27           HA       PHE  27  -2.259  -4.990  -2.797
  242    HB2  PHE  27           2HB      PHE  27   0.165  -6.780  -2.594
  243    HB3  PHE  27           1HB      PHE  27  -1.457  -7.210  -3.143
  244    HD1  PHE  27           1HD      PHE  27  -2.370  -5.510  -5.058
  245    HD2  PHE  27           2HD      PHE  27   1.745  -6.450  -4.281
  246    HE1  PHE  27           1HE      PHE  27  -1.783  -4.850  -7.373
  247    HE2  PHE  27           2HE      PHE  27   2.327  -5.790  -6.596
  248    HZ   PHE  27           HZ       PHE  27   0.573  -4.990  -8.142
  249    H    CYS  28           H        CYS  28   0.151  -4.270  -0.556
  250    HA   CYS  28           HA       CYS  28  -1.497  -5.310   1.646
  251    HB2  CYS  28           2HB      CYS  28   1.006  -6.420   0.921
  252    HB3  CYS  28           1HB      CYS  28   1.295  -5.440   2.358
  253    H    ARG  29           H        ARG  29  -1.390  -2.780   0.493
  254    HA   ARG  29           HA       ARG  29   0.386  -1.010   1.797
  255    HB2  ARG  29           2HB      ARG  29  -1.724   0.570   1.127
  256    HB3  ARG  29           1HB      ARG  29  -0.430   0.120   0.025
  257    HG2  ARG  29           2HG      ARG  29  -2.674  -0.260  -0.960
  258    HG3  ARG  29           1HG      ARG  29  -1.764  -1.760  -0.804
  259    HD2  ARG  29           2HD      ARG  29  -4.265  -1.660   0.006
  260    HD3  ARG  29           1HD      ARG  29  -3.076  -2.530   0.970
  261    HE   ARG  29           HE       ARG  29  -2.912  -0.150   2.124
  262   HH11  ARG  29          1HH2      ARG  29  -5.688  -1.850   0.952
  263   HH12  ARG  29          2HH2      ARG  29  -6.780  -1.130   2.084
  264   HH21  ARG  29          1HH1      ARG  29  -4.335   0.790   3.607
  265   HH22  ARG  29          2HH1      ARG  29  -6.013   0.360   3.593
  266    H    LYS  30           H        LYS  30  -0.865  -2.770   3.693
  267    HA   LYS  30           HA       LYS  30  -1.640  -0.820   5.652
  268    HB2  LYS  30           2HB      LYS  30  -3.904  -1.540   6.042
  269    HB3  LYS  30           1HB      LYS  30  -3.757  -1.110   4.340
  270    HG2  LYS  30           2HG      LYS  30  -3.266  -3.590   3.915
  271    HG3  LYS  30           1HG      LYS  30  -3.831  -3.870   5.563
  272    HD2  LYS  30           2HD      LYS  30  -5.997  -3.600   4.975
  273    HD3  LYS  30           1HD      LYS  30  -5.645  -2.150   4.032
  274    HE2  LYS  30           2HE      LYS  30  -6.527  -4.080   2.664
  275    HE3  LYS  30           1HE      LYS  30  -4.959  -3.470   2.130
  276    HZ1  LYS  30           3HZ      LYS  30  -5.412  -6.030   2.548
  277    HZ2  LYS  30           1HZ      LYS  30  -4.962  -5.600   4.126
  278    HZ3  LYS  30           2HZ      LYS  30  -3.893  -5.320   2.835
  279    H    THR  31           H        THR  31  -1.942  -4.240   4.791
  280    HA   THR  31           HA       THR  31  -1.883  -5.370   7.326
  281    HB   THR  31           HB       THR  31  -0.260  -6.760   5.281
  282    HG1  THR  31           1HG      THR  31  -2.878  -6.940   4.663
  283   HG21  THR  31          31HG      THR  31  -2.726  -7.470   6.893
  284   HG22  THR  31          1HG2      THR  31  -1.062  -7.850   7.331
  285   HG23  THR  31          2HG2      THR  31  -1.792  -8.600   5.908
  286    H    CYS  32           H        CYS  32   0.871  -4.670   5.183
  287    HA   CYS  32           HA       CYS  32   2.894  -5.380   7.019
  288    HB2  CYS  32           2HB      CYS  32   2.869  -3.460   4.681
  289    HB3  CYS  32           1HB      CYS  32   4.326  -3.850   5.591
  290    H    GLY  33           H        GLY  33   0.566  -3.170   7.431
  291    HA2  GLY  33           2HA      GLY  33   0.269  -1.390   8.848
  292    HA3  GLY  33           1HA      GLY  33   1.776  -1.870   9.623
  293    H    THR  34           H        THR  34   1.491  -1.060   6.226
  294    HA   THR  34           HA       THR  34   3.593   0.890   6.454
  295    HB   THR  34           HB       THR  34   3.603  -0.350   4.444
  296    HG1  THR  34           1HG      THR  34   4.052   1.450   3.522
  297   HG21  THR  34          31HG      THR  34   1.111   0.420   3.230
  298   HG22  THR  34          1HG2      THR  34   0.796  -0.350   4.773
  299   HG23  THR  34          2HG2      THR  34   1.725  -1.190   3.536
  300    H    CYS  35           H        CYS  35   0.126   1.060   5.600
  301    HA   CYS  35           HA       CYS  35   0.104   3.890   5.347
  302    HB2  CYS  35           2HB      CYS  35  -1.776   1.730   5.089
  303    HB3  CYS  35           1HB      CYS  35  -2.493   3.040   6.025
  304    HN1  NH2  36           H2       NH2  36  -0.800   2.960   9.227
  305    HN2  NH2  36           H1       NH2  36  -0.722   1.730   8.066
  Start of MODEL   15
    1    HA   PFX   0           HA       PFX   0  -2.752  17.219   4.605
    2    H1N  PFX   0           H1N      PFX   0  -1.485  19.522   3.248
    3    H2N  PFX   0           H2N      PFX   0  -0.617  18.495   4.288
    4    H3N  PFX   0           H3N      PFX   0  -1.940  19.384   4.876
    5    H1B  PFX   0           1HB      PFX   0  -3.706  18.056   1.975
    6    H2B  PFX   0           2HB      PFX   0  -3.757  19.374   3.147
    7    HD1  PFX   0           HD1      PFX   0  -4.982  15.986   2.344
    8    HD2  PFX   0           HD2      PFX   0  -5.182  19.259   5.113
    9    HE1  PFX   0           HE1      PFX   0  -6.986  14.976   3.391
   10    HE2  PFX   0           HE2      PFX   0  -7.189  18.253   6.159
   11    HNH  PFX   0           HNH      PFX   0  -1.131  18.085   1.371
   12    H11  PFX   0          1HNH      PFX   0  -2.065  17.055  -0.493
   13    H21  PFX   0          2HNH      PFX   0  -2.934  15.964   0.583
   14    H12  PFX   0           1H2      PFX   0  -0.693  14.821   1.015
   15    H22  PFX   0           2H2      PFX   0  -0.060  15.761  -0.338
   16    H14  PFX   0           1H4      PFX   0   0.481  13.726  -0.999
   17    H24  PFX   0           2H4      PFX   0  -0.403  13.798  -2.525
   18    H15  PFX   0           1H5      PFX   0  -0.876  11.796  -0.295
   19    H25  PFX   0           2H5      PFX   0  -0.079  11.460  -1.833
   20    H17  PFX   0           1H7      PFX   0  -3.576  10.531  -1.184
   21    H27  PFX   0           2H7      PFX   0  -1.918   9.939  -1.066
   22    H    ARG   1           H        ARG   1  -4.677   9.295  -2.472
   23    HA   ARG   1           HA       ARG   1  -4.987   7.366  -3.699
   24    HB2  ARG   1           2HB      ARG   1  -3.882   9.430  -5.448
   25    HB3  ARG   1           1HB      ARG   1  -3.557   7.798  -6.034
   26    HG2  ARG   1           2HG      ARG   1  -6.308   8.568  -5.076
   27    HG3  ARG   1           1HG      ARG   1  -5.794   8.917  -6.728
   28    HD2  ARG   1           2HD      ARG   1  -5.792   6.187  -5.412
   29    HD3  ARG   1           1HD      ARG   1  -6.941   6.744  -6.623
   30    HE   ARG   1           HE       ARG   1  -4.118   6.070  -7.087
   31   HH11  ARG   1          1HH2      ARG   1  -7.179   7.210  -8.229
   32   HH12  ARG   1          2HH2      ARG   1  -6.806   6.949  -9.901
   33   HH21  ARG   1          1HH1      ARG   1  -3.623   5.729  -9.279
   34   HH22  ARG   1          2HH1      ARG   1  -4.795   6.114 -10.490
   35    H    SER   2           H        SER   2  -3.623   6.192  -2.134
   36    HA   SER   2           HA       SER   2  -1.448   4.855  -3.515
   37    HB2  SER   2           2HB      SER   2   0.254   5.835  -2.445
   38    HB3  SER   2           1HB      SER   2  -0.888   6.937  -1.682
   39    HG   SER   2           HG       SER   2   0.147   4.485  -0.757
   40    H    CYS   3           H        CYS   3  -3.585   5.119  -0.793
   41    HA   CYS   3           HA       CYS   3  -2.939   2.466   0.204
   42    HB2  CYS   3           2HB      CYS   3  -3.713   4.617   1.536
   43    HB3  CYS   3           1HB      CYS   3  -5.319   4.004   1.142
   44    H    ILE   4           H        ILE   4  -3.521   1.161  -1.585
   45    HA   ILE   4           HA       ILE   4  -6.348   0.488  -1.639
   46    HB   ILE   4           HB       ILE   4  -5.226   0.777  -4.355
   47   HG12  ILE   4          2HG1      ILE   4  -6.109   3.194  -2.743
   48   HG13  ILE   4          1HG1      ILE   4  -4.445   2.863  -3.226
   49   HG21  ILE   4          1HG2      ILE   4  -7.846   1.881  -3.444
   50   HG22  ILE   4          2HG2      ILE   4  -7.636   0.131  -3.393
   51   HG23  ILE   4          31HG      ILE   4  -7.450   0.997  -4.918
   52   HD11  ILE   4          3HD1      ILE   4  -5.788   2.610  -5.610
   53   HD12  ILE   4          1HD1      ILE   4  -4.953   4.070  -5.082
   54   HD13  ILE   4          2HD1      ILE   4  -6.689   3.903  -4.823
   55    H    ASP   5           H        ASP   5  -6.736  -1.599  -2.241
   56    HA   ASP   5           HA       ASP   5  -4.475  -3.234  -3.187
   57    HB2  ASP   5           2HB      ASP   5  -5.152  -5.005  -1.549
   58    HB3  ASP   5           1HB      ASP   5  -4.482  -3.559  -0.795
   59    H    THR   6           H        THR   6  -5.232  -5.410  -3.943
   60    HA   THR   6           HA       THR   6  -8.053  -5.627  -4.621
   61    HB   THR   6           HB       THR   6  -6.935  -4.169  -6.398
   62    HG1  THR   6           1HG      THR   6  -8.618  -4.939  -7.359
   63   HG21  THR   6          31HG      THR   6  -5.868  -6.681  -7.586
   64   HG22  THR   6          1HG2      THR   6  -4.924  -5.947  -6.290
   65   HG23  THR   6          2HG2      THR   6  -5.286  -5.024  -7.749
   66    H    ILE   7           H        ILE   7  -5.588  -7.057  -3.337
   67    HA   ILE   7           HA       ILE   7  -6.177  -9.674  -4.571
   68    HB   ILE   7           HB       ILE   7  -3.794 -10.302  -4.025
   69   HG12  ILE   7          2HG1      ILE   7  -2.785  -7.596  -4.150
   70   HG13  ILE   7          1HG1      ILE   7  -3.862  -7.767  -2.764
   71   HG21  ILE   7          1HG2      ILE   7  -2.905  -9.279  -6.044
   72   HG22  ILE   7          2HG2      ILE   7  -4.120  -8.004  -5.977
   73   HG23  ILE   7          31HG      ILE   7  -4.605  -9.666  -6.312
   74   HD11  ILE   7          3HD1      ILE   7  -2.587  -9.895  -2.190
   75   HD12  ILE   7          1HD1      ILE   7  -1.681  -8.394  -1.996
   76   HD13  ILE   7          2HD1      ILE   7  -1.407  -9.414  -3.410
   77    HA   PRO   8           HA       PRO   8  -7.597 -10.824  -0.515
   78    HB2  PRO   8           2HB      PRO   8  -6.228 -13.394  -1.204
   79    HB3  PRO   8           1HB      PRO   8  -7.868 -13.121  -0.587
   80    HG2  PRO   8           2HG      PRO   8  -7.364 -13.687  -3.165
   81    HG3  PRO   8           1HG      PRO   8  -8.716 -12.667  -2.650
   82    HD2  PRO   8           2HD      PRO   8  -6.237 -11.894  -4.054
   83    HD3  PRO   8           1HD      PRO   8  -7.779 -11.021  -3.926
   84    H    LYS   9           H        LYS   9  -6.712 -10.790   1.518
   85    HA   LYS   9           HA       LYS   9  -3.993 -10.112   1.861
   86    HB2  LYS   9           2HB      LYS   9  -6.137 -11.000   3.795
   87    HB3  LYS   9           1HB      LYS   9  -4.509 -10.573   4.321
   88    HG2  LYS   9           2HG      LYS   9  -5.417  -8.478   4.478
   89    HG3  LYS   9           1HG      LYS   9  -5.058  -8.432   2.751
   90    HD2  LYS   9           2HD      LYS   9  -7.362  -7.736   3.076
   91    HD3  LYS   9           1HD      LYS   9  -7.362  -9.324   2.310
   92    HE2  LYS   9           2HE      LYS   9  -8.221 -10.365   4.157
   93    HE3  LYS   9           1HE      LYS   9  -7.350  -9.317   5.276
   94    HZ1  LYS   9           3HZ      LYS   9  -9.267  -8.264   5.561
   95    HZ2  LYS   9           1HZ      LYS   9 -10.003  -9.070   4.262
   96    HZ3  LYS   9           2HZ      LYS   9  -9.100  -7.659   3.982
   97    H    SER  10           H        SER  10  -5.457 -13.093   1.302
   98    HA   SER  10           HA       SER  10  -3.861 -14.832   2.863
   99    HB2  SER  10           2HB      SER  10  -5.657 -15.080   0.524
  100    HB3  SER  10           1HB      SER  10  -4.439 -16.342   0.690
  101    HG   SER  10           HG       SER  10  -6.205 -16.953   1.885
  102    H    ARG  11           H        ARG  11  -3.289 -13.124  -0.118
  103    HA   ARG  11           HA       ARG  11  -0.951 -14.704  -0.805
  104    HB2  ARG  11           2HB      ARG  11  -2.507 -12.505  -2.052
  105    HB3  ARG  11           1HB      ARG  11  -0.792 -12.582  -2.454
  106    HG2  ARG  11           2HG      ARG  11  -1.023 -14.910  -3.161
  107    HG3  ARG  11           1HG      ARG  11  -2.718 -14.916  -2.673
  108    HD2  ARG  11           2HD      ARG  11  -2.952 -12.892  -4.292
  109    HD3  ARG  11           1HD      ARG  11  -1.425 -13.454  -4.967
  110    HE   ARG  11           HE       ARG  11  -2.896 -15.712  -4.988
  111   HH11  ARG  11          1HH2      ARG  11  -3.573 -12.455  -5.951
  112   HH12  ARG  11          2HH2      ARG  11  -4.677 -12.909  -7.207
  113   HH21  ARG  11          1HH1      ARG  11  -4.342 -16.314  -6.634
  114   HH22  ARG  11          2HH1      ARG  11  -5.110 -15.095  -7.595
  115    H    CYS  12           H        CYS  12  -1.689 -11.930   1.087
  116    HA   CYS  12           HA       CYS  12   0.986 -10.805   0.946
  117    HB2  CYS  12           2HB      CYS  12  -1.591  -9.914   1.829
  118    HB3  CYS  12           1HB      CYS  12  -0.446  -9.748   3.160
  119    H    THR  13           H        THR  13   2.363 -12.398   1.711
  120    HA   THR  13           HA       THR  13   1.958 -13.264   4.508
  121    HB   THR  13           HB       THR  13   3.147 -15.235   4.020
  122    HG1  THR  13           1HG      THR  13   4.403 -13.617   2.299
  123   HG21  THR  13          31HG      THR  13   1.493 -14.426   1.618
  124   HG22  THR  13          1HG2      THR  13   0.973 -15.373   3.011
  125   HG23  THR  13          2HG2      THR  13   2.114 -16.059   1.855
  126    H    ALA  14           H        ALA  14   4.072 -13.681   5.682
  127    HA   ALA  14           HA       ALA  14   5.535 -11.271   5.872
  128    HB1  ALA  14           1HB      ALA  14   6.669 -12.268   7.625
  129    HB2  ALA  14           2HB      ALA  14   6.700 -13.850   6.846
  130    HB3  ALA  14           3HB      ALA  14   5.211 -13.258   7.582
  131    H    PHE  15           H        PHE  15   5.601 -13.561   3.513
  132    HA   PHE  15           HA       PHE  15   8.480 -13.322   2.963
  133    HB2  PHE  15           2HB      PHE  15   8.036 -15.517   2.508
  134    HB3  PHE  15           1HB      PHE  15   6.330 -15.212   2.185
  135    HD1  PHE  15           2HD      PHE  15   9.673 -14.283   0.734
  136    HD2  PHE  15           1HD      PHE  15   5.616 -15.479  -0.008
  137    HE1  PHE  15           2HE      PHE  15  10.125 -14.303  -1.705
  138    HE2  PHE  15           1HE      PHE  15   6.066 -15.498  -2.447
  139    HZ   PHE  15           HZ       PHE  15   8.321 -14.911  -3.295
  140    H    GLN  16           H        GLN  16   5.327 -12.786   1.412
  141    HA   GLN  16           HA       GLN  16   6.438 -11.447  -0.870
  142    HB2  GLN  16           2HB      GLN  16   3.726 -12.041   0.188
  143    HB3  GLN  16           1HB      GLN  16   3.868 -10.657  -0.895
  144    HG2  GLN  16           2HG      GLN  16   5.144 -13.287  -1.608
  145    HG3  GLN  16           1HG      GLN  16   3.435 -13.007  -1.934
  146   HE21  GLN  16          1HE2      GLN  16   6.714 -11.810  -2.689
  147   HE22  GLN  16          2HE2      GLN  16   6.262 -10.993  -4.107
  148    H    CYS  17           H        CYS  17   5.127 -10.478   2.240
  149    HA   CYS  17           HA       CYS  17   5.263  -7.645   1.591
  150    HB2  CYS  17           2HB      CYS  17   3.648  -9.042   3.254
  151    HB3  CYS  17           1HB      CYS  17   4.880  -8.510   4.397
  152    H    LYS  18           H        LYS  18   7.656  -9.557   1.789
  153    HA   LYS  18           HA       LYS  18   9.289  -7.774   3.476
  154    HB2  LYS  18           2HB      LYS  18   8.890  -9.804   4.779
  155    HB3  LYS  18           1HB      LYS  18   9.434 -10.798   3.430
  156    HG2  LYS  18           2HG      LYS  18  11.541 -10.617   4.197
  157    HG3  LYS  18           1HG      LYS  18  11.473  -8.883   3.877
  158    HD2  LYS  18           2HD      LYS  18  10.343 -10.094   6.407
  159    HD3  LYS  18           1HD      LYS  18  12.024  -9.572   6.286
  160    HE2  LYS  18           2HE      LYS  18   9.531  -7.883   6.010
  161    HE3  LYS  18           1HE      LYS  18  10.841  -7.702   7.177
  162    HZ1  LYS  18           3HZ      LYS  18  11.582  -6.197   5.711
  163    HZ2  LYS  18           1HZ      LYS  18  10.689  -6.841   4.419
  164    HZ3  LYS  18           2HZ      LYS  18  12.167  -7.549   4.864
  165    H    HIS  19           H        HIS  19   9.094 -10.090   0.825
  166    HA   HIS  19           HA       HIS  19  11.756  -9.289  -0.125
  167    HB2  HIS  19           2HB      HIS  19   9.895 -11.407  -1.222
  168    HB3  HIS  19           1HB      HIS  19  11.585 -11.159  -1.660
  169    HD1  HIS  19           1HD      HIS  19  10.252 -11.027   1.880
  170    HD2  HIS  19           2HD      HIS  19  12.621 -13.497  -0.501
  171    HE1  HIS  19           1HE      HIS  19  11.243 -12.773   3.423
  172    HE2  HIS  19           2HE      HIS  19  12.702 -14.278   1.990
  173    H    SER  20           H        SER  20   8.361  -8.965  -0.841
  174    HA   SER  20           HA       SER  20   9.021  -7.524  -3.335
  175    HB2  SER  20           2HB      SER  20   7.219  -9.549  -2.991
  176    HB3  SER  20           1HB      SER  20   6.193  -8.134  -2.777
  177    HG   SER  20           HG       SER  20   6.615  -7.503  -4.792
  178    H    NLE  21           H        NLE  21   9.004  -5.381  -3.178
  179    HA   NLE  21           HA       NLE  21   7.871  -4.027  -0.907
  180    HB2  NLE  21           1HB      NLE  21   8.466  -2.041  -2.677
  181    HB3  NLE  21           2HB      NLE  21   9.538  -3.327  -3.234
  182    HG2  NLE  21           1HG      NLE  21  10.767  -2.137  -1.563
  183    HG3  NLE  21           2HG      NLE  21  10.214  -3.620  -0.784
  184    HD2  NLE  21           1HD      NLE  21   9.309  -2.296   0.807
  185    HD3  NLE  21           2HD      NLE  21   8.112  -1.827  -0.398
  186    HE1  NLE  21           3HE      NLE  21  10.671  -0.412   0.357
  187    HE2  NLE  21           1HE      NLE  21   9.027   0.228   0.350
  188    HE3  NLE  21           2HE      NLE  21   9.858  -0.087  -1.173
  189    H    LYS  22           H        LYS  22   6.890  -4.682  -4.193
  190    HA   LYS  22           HA       LYS  22   4.897  -2.751  -4.477
  191    HB2  LYS  22           2HB      LYS  22   5.476  -3.820  -6.462
  192    HB3  LYS  22           1HB      LYS  22   5.518  -5.410  -5.711
  193    HG2  LYS  22           2HG      LYS  22   3.594  -5.129  -7.260
  194    HG3  LYS  22           1HG      LYS  22   3.081  -5.473  -5.613
  195    HD2  LYS  22           2HD      LYS  22   1.704  -3.673  -6.068
  196    HD3  LYS  22           1HD      LYS  22   3.103  -2.801  -5.463
  197    HE2  LYS  22           2HE      LYS  22   2.565  -3.398  -8.380
  198    HE3  LYS  22           1HE      LYS  22   2.304  -1.840  -7.595
  199    HZ1  LYS  22           3HZ      LYS  22   4.786  -3.124  -8.385
  200    HZ2  LYS  22           1HZ      LYS  22   4.817  -2.335  -6.884
  201    HZ3  LYS  22           2HZ      LYS  22   4.397  -1.474  -8.287
  202    H    TYR  23           H        TYR  23   5.102  -4.781  -2.027
  203    HA   TYR  23           HA       TYR  23   2.199  -5.327  -1.910
  204    HB2  TYR  23           2HB      TYR  23   4.584  -6.782  -0.853
  205    HB3  TYR  23           1HB      TYR  23   3.073  -6.871   0.051
  206    HD1  TYR  23           1HD      TYR  23   3.877  -6.764  -3.616
  207    HD2  TYR  23           2HD      TYR  23   1.973  -8.875  -0.397
  208    HE1  TYR  23           1HE      TYR  23   3.007  -8.434  -5.227
  209    HE2  TYR  23           2HE      TYR  23   1.100 -10.546  -2.010
  210    HH   TYR  23           HH       TYR  23   2.259 -10.874  -5.117
  211    H    ARG  24           H        ARG  24   4.927  -4.647   0.313
  212    HA   ARG  24           HA       ARG  24   3.224  -3.636   2.365
  213    HB2  ARG  24           2HB      ARG  24   5.481  -2.719   3.248
  214    HB3  ARG  24           1HB      ARG  24   5.262  -4.466   3.148
  215    HG2  ARG  24           2HG      ARG  24   6.235  -3.451   0.623
  216    HG3  ARG  24           1HG      ARG  24   7.297  -2.933   1.933
  217    HD2  ARG  24           2HD      ARG  24   7.328  -5.317   2.748
  218    HD3  ARG  24           1HD      ARG  24   6.450  -5.769   1.289
  219    HE   ARG  24           HE       ARG  24   8.909  -4.290   0.830
  220   HH11  ARG  24          1HH2      ARG  24   7.359  -7.363   1.216
  221   HH12  ARG  24          2HH2      ARG  24   8.571  -8.237   0.340
  222   HH21  ARG  24          1HH1      ARG  24  10.493  -5.426  -0.314
  223   HH22  ARG  24          2HH1      ARG  24  10.349  -7.137  -0.521
  224    H    LEU  25           H        LEU  25   3.584  -2.283  -0.531
  225    HA   LEU  25           HA       LEU  25   3.146   0.388   0.571
  226    HB2  LEU  25           2HB      LEU  25   4.981   1.409  -0.269
  227    HB3  LEU  25           1HB      LEU  25   5.664  -0.208  -0.235
  228    HG   LEU  25           HG       LEU  25   4.505  -0.340  -2.657
  229   HD11  LEU  25          1HD1      LEU  25   3.936   1.650  -3.567
  230   HD12  LEU  25          2HD1      LEU  25   5.494   2.346  -3.129
  231   HD13  LEU  25          3HD1      LEU  25   4.157   2.389  -1.983
  232   HD21  LEU  25          31HD      LEU  25   6.683   0.108  -3.582
  233   HD22  LEU  25          1HD2      LEU  25   6.923  -0.632  -1.999
  234   HD23  LEU  25          2HD2      LEU  25   7.123   1.107  -2.198
  235    H    SER  26           H        SER  26   1.767  -1.863  -1.118
  236    HA   SER  26           HA       SER  26   0.369   0.028  -2.828
  237    HB2  SER  26           2HB      SER  26   1.487  -2.484  -4.039
  238    HB3  SER  26           1HB      SER  26   0.707  -1.143  -4.854
  239    HG   SER  26           HG       SER  26   2.949  -0.973  -5.060
  240    H    PHE  27           H        PHE  27   0.677  -3.525  -2.575
  241    HA   PHE  27           HA       PHE  27  -2.235  -3.745  -2.538
  242    HB2  PHE  27           2HB      PHE  27  -0.198  -5.975  -2.393
  243    HB3  PHE  27           1HB      PHE  27  -1.909  -6.120  -2.779
  244    HD1  PHE  27           2HD      PHE  27  -2.257  -3.788  -4.656
  245    HD2  PHE  27           1HD      PHE  27   0.876  -6.717  -4.342
  246    HE1  PHE  27           2HE      PHE  27  -1.729  -3.483  -7.052
  247    HE2  PHE  27           1HE      PHE  27   1.395  -6.413  -6.744
  248    HZ   PHE  27           HZ       PHE  27   0.095  -4.794  -8.099
  249    H    CYS  28           H        CYS  28   0.502  -4.349  -0.390
  250    HA   CYS  28           HA       CYS  28  -1.285  -5.312   1.700
  251    HB2  CYS  28           2HB      CYS  28   1.423  -5.748   1.057
  252    HB3  CYS  28           1HB      CYS  28   1.421  -4.892   2.597
  253    H    ARG  29           H        ARG  29  -2.220  -2.985   1.296
  254    HA   ARG  29           HA       ARG  29  -0.860  -0.859   2.716
  255    HB2  ARG  29           2HB      ARG  29  -3.738  -0.818   1.845
  256    HB3  ARG  29           1HB      ARG  29  -2.610   0.527   1.980
  257    HG2  ARG  29           2HG      ARG  29  -2.286  -1.748   0.007
  258    HG3  ARG  29           1HG      ARG  29  -3.054  -0.213  -0.390
  259    HD2  ARG  29           2HD      ARG  29  -0.178  -0.806   0.172
  260    HD3  ARG  29           1HD      ARG  29  -0.886   0.249  -1.046
  261    HE   ARG  29           HE       ARG  29  -1.076   1.069   1.768
  262   HH11  ARG  29          1HH2      ARG  29   0.327   1.369  -1.381
  263   HH12  ARG  29          2HH2      ARG  29   0.942   2.964  -1.105
  264   HH21  ARG  29          1HH1      ARG  29  -0.274   3.164   2.134
  265   HH22  ARG  29          2HH1      ARG  29   0.599   3.981   0.881
  266    H    LYS  30           H        LYS  30  -2.015  -3.473   4.047
  267    HA   LYS  30           HA       LYS  30  -3.021  -2.036   6.392
  268    HB2  LYS  30           2HB      LYS  30  -4.644  -4.368   6.143
  269    HB3  LYS  30           1HB      LYS  30  -5.150  -2.681   6.176
  270    HG2  LYS  30           2HG      LYS  30  -5.958  -3.649   4.121
  271    HG3  LYS  30           1HG      LYS  30  -4.635  -2.560   3.710
  272    HD2  LYS  30           2HD      LYS  30  -3.259  -4.264   3.050
  273    HD3  LYS  30           1HD      LYS  30  -3.856  -5.362   4.294
  274    HE2  LYS  30           2HE      LYS  30  -5.538  -6.167   2.963
  275    HE3  LYS  30           1HE      LYS  30  -5.791  -4.614   2.167
  276    HZ1  LYS  30           3HZ      LYS  30  -4.849  -6.119   0.599
  277    HZ2  LYS  30           1HZ      LYS  30  -3.595  -6.543   1.660
  278    HZ3  LYS  30           2HZ      LYS  30  -3.655  -4.978   1.001
  279    H    THR  31           H        THR  31  -1.965  -5.083   4.948
  280    HA   THR  31           HA       THR  31  -1.656  -6.524   7.367
  281    HB   THR  31           HB       THR  31   0.268  -7.201   5.270
  282    HG1  THR  31           1HG      THR  31  -2.488  -6.904   4.709
  283   HG21  THR  31          31HG      THR  31  -2.135  -8.744   6.249
  284   HG22  THR  31          1HG2      THR  31  -0.654  -8.617   7.198
  285   HG23  THR  31          2HG2      THR  31  -0.620  -9.379   5.607
  286    H    CYS  32           H        CYS  32   0.950  -5.264   5.285
  287    HA   CYS  32           HA       CYS  32   2.938  -5.411   7.286
  288    HB2  CYS  32           2HB      CYS  32   2.695  -4.249   4.574
  289    HB3  CYS  32           1HB      CYS  32   3.919  -3.519   5.613
  290    H    GLY  33           H        GLY  33   0.305  -3.742   7.661
  291    HA2  GLY  33           2HA      GLY  33  -0.326  -1.769   8.683
  292    HA3  GLY  33           1HA      GLY  33   1.133  -2.024   9.637
  293    H    THR  34           H        THR  34   0.954  -1.416   6.160
  294    HA   THR  34           HA       THR  34   2.727   0.893   6.519
  295    HB   THR  34           HB       THR  34   3.237  -0.912   4.832
  296    HG1  THR  34           1HG      THR  34   3.658   1.552   4.726
  297   HG21  THR  34          31HG      THR  34   1.006   0.354   3.235
  298   HG22  THR  34          1HG2      THR  34   0.770  -1.117   4.178
  299   HG23  THR  34          2HG2      THR  34   1.929  -1.097   2.850
  300    H    CYS  35           H        CYS  35  -0.487   0.435   6.575
  301    HA   CYS  35           HA       CYS  35  -1.149   3.145   6.205
  302    HB2  CYS  35           2HB      CYS  35  -0.764   2.700   3.833
  303    HB3  CYS  35           1HB      CYS  35  -1.884   1.340   3.890
  304    HN1  NH2  36           H2       NH2  36  -3.499   0.250   7.587
  305    HN2  NH2  36           H1       NH2  36  -1.859   0.039   7.201
  Start of MODEL   16
    1    HA   PFX   0           HA       PFX   0  -6.342  14.770   5.096
    2    H1N  PFX   0           H1N      PFX   0  -4.598  15.782   6.036
    3    H2N  PFX   0           H2N      PFX   0  -4.602  16.745   4.637
    4    H3N  PFX   0           H3N      PFX   0  -3.544  15.421   4.757
    5    H1B  PFX   0           1HB      PFX   0  -6.769  16.307   3.359
    6    H2B  PFX   0           2HB      PFX   0  -6.535  14.782   2.505
    7    HD1  PFX   0           HD1      PFX   0  -5.339  18.157   2.969
    8    HD2  PFX   0           HD2      PFX   0  -4.231  14.262   1.550
    9    HE1  PFX   0           HE1      PFX   0  -3.456  19.154   1.705
   10    HE2  PFX   0           HE2      PFX   0  -2.349  15.256   0.288
   11    HNH  PFX   0           HNH      PFX   0  -3.134  14.132   4.781
   12    H11  PFX   0          1HNH      PFX   0  -3.653  11.318   4.855
   13    H21  PFX   0          2HNH      PFX   0  -2.068  12.086   4.910
   14    H12  PFX   0           1H2      PFX   0  -2.337  12.495   2.400
   15    H22  PFX   0           2H2      PFX   0  -3.715  11.397   2.469
   16    H14  PFX   0           1H4      PFX   0  -3.272   9.256   3.759
   17    H24  PFX   0           2H4      PFX   0  -1.909   8.438   2.993
   18    H15  PFX   0           1H5      PFX   0  -3.346   8.093   1.265
   19    H25  PFX   0           2H5      PFX   0  -3.030   9.783   0.870
   20    H17  PFX   0           1H7      PFX   0  -4.957  10.574   0.146
   21    H27  PFX   0           2H7      PFX   0  -6.500  10.169   0.899
   22    H    ARG   1           H        ARG   1  -5.788   9.736  -1.866
   23    HA   ARG   1           HA       ARG   1  -6.539   7.022  -2.226
   24    HB2  ARG   1           2HB      ARG   1  -5.863   9.321  -3.930
   25    HB3  ARG   1           1HB      ARG   1  -5.450   7.757  -4.635
   26    HG2  ARG   1           2HG      ARG   1  -7.747   8.352  -5.238
   27    HG3  ARG   1           1HG      ARG   1  -7.758   6.961  -4.152
   28    HD2  ARG   1           2HD      ARG   1  -9.433   8.806  -3.606
   29    HD3  ARG   1           1HD      ARG   1  -8.387   8.301  -2.282
   30    HE   ARG   1           HE       ARG   1  -7.136  10.440  -3.605
   31   HH11  ARG   1          1HH2      ARG   1  -9.957   9.731  -1.732
   32   HH12  ARG   1          2HH2      ARG   1 -10.087  11.327  -1.069
   33   HH21  ARG   1          1HH1      ARG   1  -7.299  12.537  -2.736
   34   HH22  ARG   1          2HH1      ARG   1  -8.583  12.913  -1.636
   35    H    SER   2           H        SER   2  -4.834   6.187  -4.311
   36    HA   SER   2           HA       SER   2  -2.884   5.037  -4.691
   37    HB2  SER   2           2HB      SER   2  -1.968   7.392  -3.949
   38    HB3  SER   2           1HB      SER   2  -1.498   6.522  -2.492
   39    HG   SER   2           HG       SER   2   0.182   6.285  -3.870
   40    H    CYS   3           H        CYS   3  -4.411   5.192  -1.690
   41    HA   CYS   3           HA       CYS   3  -2.919   2.855  -0.690
   42    HB2  CYS   3           2HB      CYS   3  -4.239   5.145   0.620
   43    HB3  CYS   3           1HB      CYS   3  -4.459   3.579   1.400
   44    H    ILE   4           H        ILE   4  -3.967   1.199  -1.790
   45    HA   ILE   4           HA       ILE   4  -6.447   0.307  -0.710
   46    HB   ILE   4           HB       ILE   4  -7.591   0.262  -3.030
   47   HG12  ILE   4          2HG1      ILE   4  -5.852   2.696  -3.470
   48   HG13  ILE   4          1HG1      ILE   4  -5.426   1.115  -4.130
   49   HG21  ILE   4          1HG2      ILE   4  -7.444   3.075  -2.050
   50   HG22  ILE   4          2HG2      ILE   4  -7.957   1.845  -0.900
   51   HG23  ILE   4          31HG      ILE   4  -8.855   2.075  -2.000
   52   HD11  ILE   4          3HD1      ILE   4  -8.070   2.518  -4.610
   53   HD12  ILE   4          1HD1      ILE   4  -7.534   1.009  -5.350
   54   HD13  ILE   4          2HD1      ILE   4  -6.718   2.522  -5.750
   55    H    ASP   5           H        ASP   5  -6.720  -1.859  -1.050
   56    HA   ASP   5           HA       ASP   5  -4.553  -3.199  -2.500
   57    HB2  ASP   5           2HB      ASP   5  -5.392  -5.236  -1.340
   58    HB3  ASP   5           1HB      ASP   5  -4.903  -3.950  -0.240
   59    H    THR   6           H        THR   6  -5.127  -5.205  -3.710
   60    HA   THR   6           HA       THR   6  -7.790  -5.140  -4.940
   61    HB   THR   6           HB       THR   6  -6.911  -4.041  -6.720
   62    HG1  THR   6           1HG      THR   6  -7.034  -6.378  -7.270
   63   HG21  THR   6          31HG      THR   6  -4.303  -4.854  -5.490
   64   HG22  THR   6          1HG2      THR   6  -4.903  -3.241  -5.870
   65   HG23  THR   6          2HG2      THR   6  -4.319  -4.292  -7.160
   66    H    ILE   7           H        ILE   7  -5.665  -6.869  -3.300
   67    HA   ILE   7           HA       ILE   7  -6.492  -9.387  -4.580
   68    HB   ILE   7           HB       ILE   7  -4.144 -10.253  -3.930
   69   HG12  ILE   7          2HG1      ILE   7  -3.076  -7.564  -4.470
   70   HG13  ILE   7          1HG1      ILE   7  -3.896  -7.704  -2.910
   71   HG21  ILE   7          1HG2      ILE   7  -4.975  -9.912  -6.260
   72   HG22  ILE   7          2HG2      ILE   7  -3.253  -9.566  -6.110
   73   HG23  ILE   7          31HG      ILE   7  -4.415  -8.241  -6.190
   74   HD11  ILE   7          3HD1      ILE   7  -2.408  -9.305  -2.110
   75   HD12  ILE   7          1HD1      ILE   7  -1.337  -8.326  -3.120
   76   HD13  ILE   7          2HD1      ILE   7  -1.973  -9.851  -3.730
   77    HA   PRO   8           HA       PRO   8  -7.546 -10.574  -0.490
   78    HB2  PRO   8           2HB      PRO   8  -7.109 -13.289  -0.630
   79    HB3  PRO   8           1HB      PRO   8  -8.519 -12.474  -1.330
   80    HG2  PRO   8           2HG      PRO   8  -6.038 -13.441  -2.650
   81    HG3  PRO   8           1HG      PRO   8  -7.710 -13.450  -3.240
   82    HD2  PRO   8           2HD      PRO   8  -5.854 -11.615  -4.070
   83    HD3  PRO   8           1HD      PRO   8  -7.596 -11.271  -4.000
   84    H    LYS   9           H        LYS   9  -6.593 -10.821   1.480
   85    HA   LYS   9           HA       LYS   9  -3.791 -10.592   1.710
   86    HB2  LYS   9           2HB      LYS   9  -4.374 -11.240   4.199
   87    HB3  LYS   9           1HB      LYS   9  -4.865  -9.681   3.530
   88    HG2  LYS   9           2HG      LYS   9  -6.688 -10.908   4.780
   89    HG3  LYS   9           1HG      LYS   9  -7.103 -10.479   3.120
   90    HD2  LYS   9           2HD      LYS   9  -6.726 -12.712   2.350
   91    HD3  LYS   9           1HD      LYS   9  -5.937 -13.171   3.860
   92    HE2  LYS   9           2HE      LYS   9  -8.020 -14.029   4.310
   93    HE3  LYS   9           1HE      LYS   9  -8.313 -12.376   4.850
   94    HZ1  LYS   9           3HZ      LYS   9  -9.937 -12.326   3.360
   95    HZ2  LYS   9           1HZ      LYS   9  -9.445 -13.786   2.650
   96    HZ3  LYS   9           2HZ      LYS   9  -8.744 -12.322   2.150
   97    H    SER  10           H        SER  10  -5.379 -13.193   0.670
   98    HA   SER  10           HA       SER  10  -4.221 -15.295   2.240
   99    HB2  SER  10           2HB      SER  10  -5.003 -15.787  -0.570
  100    HB3  SER  10           1HB      SER  10  -5.358 -16.729   0.860
  101    HG   SER  10           HG       SER  10  -6.467 -14.289   1.040
  102    H    ARG  11           H        ARG  11  -3.210 -13.344  -0.430
  103    HA   ARG  11           HA       ARG  11  -0.956 -15.098  -1.060
  104    HB2  ARG  11           2HB      ARG  11  -1.951 -12.502  -2.250
  105    HB3  ARG  11           1HB      ARG  11  -0.472 -13.306  -2.780
  106    HG2  ARG  11           2HG      ARG  11  -2.148 -15.404  -2.900
  107    HG3  ARG  11           1HG      ARG  11  -3.314 -14.108  -3.180
  108    HD2  ARG  11           2HD      ARG  11  -0.919 -14.870  -4.830
  109    HD3  ARG  11           1HD      ARG  11  -2.577 -14.586  -5.350
  110    HE   ARG  11           HE       ARG  11  -1.982 -12.147  -4.570
  111   HH11  ARG  11          1HH2      ARG  11   0.031 -14.466  -6.170
  112   HH12  ARG  11          2HH2      ARG  11   1.002 -13.277  -6.970
  113   HH21  ARG  11          1HH1      ARG  11  -0.716 -10.583  -5.620
  114   HH22  ARG  11          2HH1      ARG  11   0.576 -11.077  -6.660
  115    H    CYS  12           H        CYS  12  -1.704 -12.537   1.000
  116    HA   CYS  12           HA       CYS  12   0.923 -11.321   1.050
  117    HB2  CYS  12           2HB      CYS  12  -1.483 -10.354   1.700
  118    HB3  CYS  12           1HB      CYS  12  -0.999 -10.939   3.290
  119    H    THR  13           H        THR  13   2.435 -12.843   1.620
  120    HA   THR  13           HA       THR  13   2.040 -14.256   4.180
  121    HB   THR  13           HB       THR  13   3.419 -15.939   3.410
  122    HG1  THR  13           1HG      THR  13   4.564 -14.604   1.300
  123   HG21  THR  13          31HG      THR  13   2.354 -14.690   0.860
  124   HG22  THR  13          1HG2      THR  13   1.470 -15.793   1.910
  125   HG23  THR  13          2HG2      THR  13   2.888 -16.361   1.030
  126    H    ALA  14           H        ALA  14   3.905 -14.419   5.620
  127    HA   ALA  14           HA       ALA  14   5.042 -11.893   6.200
  128    HB1  ALA  14           1HB      ALA  14   4.686 -14.160   7.630
  129    HB2  ALA  14           2HB      ALA  14   5.793 -12.874   8.110
  130    HB3  ALA  14           3HB      ALA  14   6.406 -14.295   7.260
  131    H    PHE  15           H        PHE  15   5.669 -13.532   3.570
  132    HA   PHE  15           HA       PHE  15   8.566 -12.940   3.620
  133    HB2  PHE  15           2HB      PHE  15   8.775 -15.169   3.250
  134    HB3  PHE  15           1HB      PHE  15   7.096 -15.344   2.750
  135    HD1  PHE  15           1HD      PHE  15   6.474 -14.335   0.420
  136    HD2  PHE  15           2HD      PHE  15  10.486 -15.250   1.650
  137    HE1  PHE  15           1HE      PHE  15   7.187 -14.383  -1.940
  138    HE2  PHE  15           2HE      PHE  15  11.200 -15.300  -0.720
  139    HZ   PHE  15           HZ       PHE  15   9.551 -14.868  -2.520
  140    H    GLN  16           H        GLN  16   5.513 -12.712   1.950
  141    HA   GLN  16           HA       GLN  16   6.525 -11.712  -0.510
  142    HB2  GLN  16           2HB      GLN  16   3.879 -12.028   0.760
  143    HB3  GLN  16           1HB      GLN  16   4.001 -10.736  -0.420
  144    HG2  GLN  16           2HG      GLN  16   5.129 -13.442  -1.060
  145    HG3  GLN  16           1HG      GLN  16   3.393 -13.174  -1.200
  146   HE21  GLN  16          1HE2      GLN  16   6.553 -12.107  -2.460
  147   HE22  GLN  16          2HE2      GLN  16   5.929 -11.377  -3.860
  148    H    CYS  17           H        CYS  17   5.324 -10.210   2.450
  149    HA   CYS  17           HA       CYS  17   5.684  -7.523   1.440
  150    HB2  CYS  17           2HB      CYS  17   4.037  -8.526   3.310
  151    HB3  CYS  17           1HB      CYS  17   5.370  -8.016   4.350
  152    H    LYS  18           H        LYS  18   7.862  -9.751   2.110
  153    HA   LYS  18           HA       LYS  18   9.695  -7.909   3.520
  154    HB2  LYS  18           2HB      LYS  18   9.022 -10.553   4.150
  155    HB3  LYS  18           1HB      LYS  18  10.605 -10.664   3.380
  156    HG2  LYS  18           2HG      LYS  18  11.211 -10.264   5.590
  157    HG3  LYS  18           1HG      LYS  18  11.188  -8.625   4.950
  158    HD2  LYS  18           2HD      LYS  18   9.116  -8.127   5.950
  159    HD3  LYS  18           1HD      LYS  18   8.712  -9.829   6.170
  160    HE2  LYS  18           2HE      LYS  18  11.176  -8.836   7.520
  161    HE3  LYS  18           1HE      LYS  18   9.630  -8.312   8.190
  162    HZ1  LYS  18           3HZ      LYS  18   8.944 -10.587   8.390
  163    HZ2  LYS  18           1HZ      LYS  18  10.443 -10.400   9.160
  164    HZ3  LYS  18           2HZ      LYS  18  10.361 -11.137   7.640
  165    H    HIS  19           H        HIS  19   9.153  -9.914   0.730
  166    HA   HIS  19           HA       HIS  19  11.821  -9.210  -0.310
  167    HB2  HIS  19           2HB      HIS  19   9.918 -11.296  -1.390
  168    HB3  HIS  19           1HB      HIS  19  11.620 -11.081  -1.800
  169    HD1  HIS  19           1HD      HIS  19  10.199 -11.002   1.700
  170    HD2  HIS  19           2HD      HIS  19  12.613 -13.441  -0.660
  171    HE1  HIS  19           1HE      HIS  19  11.131 -12.790   3.230
  172    HE2  HIS  19           2HE      HIS  19  12.606 -14.285   1.810
  173    H    SER  20           H        SER  20   8.373  -8.969  -0.860
  174    HA   SER  20           HA       SER  20   8.855  -7.516  -3.380
  175    HB2  SER  20           2HB      SER  20   6.136  -8.321  -2.400
  176    HB3  SER  20           1HB      SER  20   6.698  -8.082  -4.050
  177    HG   SER  20           HG       SER  20   8.011  -9.955  -3.760
  178    H    NLE  21           H        NLE  21   8.954  -5.374  -3.190
  179    HA   NLE  21           HA       NLE  21   8.030  -3.952  -0.900
  180    HB2  NLE  21           1HB      NLE  21   8.349  -2.307  -3.280
  181    HB3  NLE  21           2HB      NLE  21   9.705  -3.413  -3.070
  182    HG2  NLE  21           1HG      NLE  21   8.711  -1.910  -0.670
  183    HG3  NLE  21           2HG      NLE  21   9.684  -1.047  -1.860
  184    HD2  NLE  21           1HD      NLE  21  10.695  -3.719  -1.050
  185    HD3  NLE  21           2HD      NLE  21  10.757  -2.464   0.180
  186    HE1  NLE  21           3HE      NLE  21  11.697  -1.767  -2.570
  187    HE2  NLE  21           1HE      NLE  21  12.743  -2.777  -1.570
  188    HE3  NLE  21           2HE      NLE  21  12.265  -1.175  -1.010
  189    H    LYS  22           H        LYS  22   6.807  -4.426  -4.170
  190    HA   LYS  22           HA       LYS  22   4.678  -2.691  -4.290
  191    HB2  LYS  22           2HB      LYS  22   3.591  -4.846  -5.480
  192    HB3  LYS  22           1HB      LYS  22   4.837  -3.855  -6.240
  193    HG2  LYS  22           2HG      LYS  22   6.525  -5.398  -5.830
  194    HG3  LYS  22           1HG      LYS  22   5.696  -6.084  -4.430
  195    HD2  LYS  22           2HD      LYS  22   5.358  -7.776  -5.970
  196    HD3  LYS  22           1HD      LYS  22   3.921  -6.808  -6.270
  197    HE2  LYS  22           2HE      LYS  22   4.731  -7.062  -8.440
  198    HE3  LYS  22           1HE      LYS  22   5.508  -5.548  -7.970
  199    HZ1  LYS  22           3HZ      LYS  22   6.812  -8.155  -7.490
  200    HZ2  LYS  22           1HZ      LYS  22   7.519  -6.615  -7.570
  201    HZ3  LYS  22           2HZ      LYS  22   6.957  -7.359  -8.990
  202    H    TYR  23           H        TYR  23   5.149  -4.936  -1.880
  203    HA   TYR  23           HA       TYR  23   2.265  -5.298  -1.410
  204    HB2  TYR  23           2HB      TYR  23   4.711  -6.801  -0.630
  205    HB3  TYR  23           1HB      TYR  23   3.384  -6.779   0.520
  206    HD1  TYR  23           2HD      TYR  23   3.507  -6.843  -3.220
  207    HD2  TYR  23           1HD      TYR  23   2.151  -8.757   0.370
  208    HE1  TYR  23           2HE      TYR  23   2.294  -8.529  -4.570
  209    HE2  TYR  23           1HE      TYR  23   0.937 -10.442  -0.980
  210    HH   TYR  23           HH       TYR  23   0.415 -11.132  -3.010
  211    H    ARG  24           H        ARG  24   5.196  -3.898  -0.080
  212    HA   ARG  24           HA       ARG  24   3.933  -3.097   2.400
  213    HB2  ARG  24           2HB      ARG  24   6.618  -2.399   1.190
  214    HB3  ARG  24           1HB      ARG  24   6.088  -1.938   2.810
  215    HG2  ARG  24           2HG      ARG  24   6.074  -4.165   3.570
  216    HG3  ARG  24           1HG      ARG  24   6.034  -4.822   1.940
  217    HD2  ARG  24           2HD      ARG  24   8.378  -3.180   2.240
  218    HD3  ARG  24           1HD      ARG  24   8.314  -4.348   3.560
  219    HE   ARG  24           HE       ARG  24   7.765  -5.842   1.330
  220   HH11  ARG  24          1HH2      ARG  24  10.256  -3.631   2.270
  221   HH12  ARG  24          2HH2      ARG  24  11.484  -4.397   1.320
  222   HH21  ARG  24          1HH1      ARG  24   9.371  -6.853   0.090
  223   HH22  ARG  24          2HH1      ARG  24  10.984  -6.225   0.090
  224    H    LEU  25           H        LEU  25   3.277  -2.029  -0.550
  225    HA   LEU  25           HA       LEU  25   2.319   0.484   0.320
  226    HB2  LEU  25           2HB      LEU  25   3.793   2.011  -0.790
  227    HB3  LEU  25           1HB      LEU  25   4.756   0.997   0.270
  228    HG   LEU  25           HG       LEU  25   4.527  -0.300  -2.280
  229   HD11  LEU  25          1HD1      LEU  25   5.286   2.620  -2.290
  230   HD12  LEU  25          2HD1      LEU  25   4.214   1.761  -3.400
  231   HD13  LEU  25          3HD1      LEU  25   5.957   1.501  -3.470
  232   HD21  LEU  25          31HD      LEU  25   6.966   1.041  -1.100
  233   HD22  LEU  25          1HD2      LEU  25   6.899  -0.414  -2.090
  234   HD23  LEU  25          2HD2      LEU  25   6.309  -0.454  -0.430
  235    H    SER  26           H        SER  26   1.175  -1.630  -1.130
  236    HA   SER  26           HA       SER  26   0.155  -0.137  -3.380
  237    HB2  SER  26           2HB      SER  26   2.326  -1.900  -3.860
  238    HB3  SER  26           1HB      SER  26   0.884  -2.671  -4.510
  239    HG   SER  26           HG       SER  26   2.184  -0.359  -5.280
  240    H    PHE  27           H        PHE  27   0.480  -3.559  -2.520
  241    HA   PHE  27           HA       PHE  27  -2.454  -3.810  -2.630
  242    HB2  PHE  27           2HB      PHE  27  -0.511  -6.097  -2.420
  243    HB3  PHE  27           1HB      PHE  27  -2.140  -6.086  -3.110
  244    HD1  PHE  27           1HD      PHE  27  -2.187  -3.746  -4.810
  245    HD2  PHE  27           2HD      PHE  27   0.992  -6.559  -4.170
  246    HE1  PHE  27           1HE      PHE  27  -1.253  -3.196  -7.040
  247    HE2  PHE  27           2HE      PHE  27   1.921  -6.009  -6.400
  248    HZ   PHE  27           HZ       PHE  27   0.805  -4.328  -7.830
  249    H    CYS  28           H        CYS  28   0.214  -5.180  -0.700
  250    HA   CYS  28           HA       CYS  28  -1.553  -5.540   1.570
  251    HB2  CYS  28           2HB      CYS  28   1.379  -6.089   1.110
  252    HB3  CYS  28           1HB      CYS  28   0.609  -6.311   2.680
  253    H    ARG  29           H        ARG  29  -1.568  -2.930   0.870
  254    HA   ARG  29           HA       ARG  29   0.397  -1.416   2.300
  255    HB2  ARG  29           2HB      ARG  29  -1.368   0.433   1.800
  256    HB3  ARG  29           1HB      ARG  29  -0.465  -0.291   0.470
  257    HG2  ARG  29           2HG      ARG  29  -2.270  -1.506  -0.280
  258    HG3  ARG  29           1HG      ARG  29  -2.997  -1.630   1.310
  259    HD2  ARG  29           2HD      ARG  29  -2.981   0.732  -0.530
  260    HD3  ARG  29           1HD      ARG  29  -4.378  -0.139   0.080
  261    HE   ARG  29           HE       ARG  29  -2.779   1.843   1.520
  262   HH11  ARG  29          1HH2      ARG  29  -5.270  -0.559   1.510
  263   HH12  ARG  29          2HH2      ARG  29  -5.960  -0.051   3.010
  264   HH21  ARG  29          1HH1      ARG  29  -3.672   2.507   3.500
  265   HH22  ARG  29          2HH1      ARG  29  -5.054   1.682   4.140
  266    H    LYS  30           H        LYS  30  -1.738  -3.366   3.610
  267    HA   LYS  30           HA       LYS  30  -2.318  -1.552   5.870
  268    HB2  LYS  30           2HB      LYS  30  -4.239  -3.755   5.190
  269    HB3  LYS  30           1HB      LYS  30  -4.517  -2.284   6.110
  270    HG2  LYS  30           2HG      LYS  30  -5.108  -1.127   4.270
  271    HG3  LYS  30           1HG      LYS  30  -3.736  -1.726   3.350
  272    HD2  LYS  30           2HD      LYS  30  -6.322  -3.222   3.850
  273    HD3  LYS  30           1HD      LYS  30  -5.830  -2.491   2.320
  274    HE2  LYS  30           2HE      LYS  30  -4.975  -4.546   1.860
  275    HE3  LYS  30           1HE      LYS  30  -3.651  -4.054   2.920
  276    HZ1  LYS  30           3HZ      LYS  30  -5.532  -6.109   3.300
  277    HZ2  LYS  30           1HZ      LYS  30  -5.729  -4.959   4.530
  278    HZ3  LYS  30           2HZ      LYS  30  -4.211  -5.682   4.280
  279    H    THR  31           H        THR  31  -1.838  -4.827   4.690
  280    HA   THR  31           HA       THR  31  -1.804  -6.144   7.200
  281    HB   THR  31           HB       THR  31   0.023  -7.265   5.200
  282    HG1  THR  31           1HG      THR  31  -1.215  -7.135   3.520
  283   HG21  THR  31          31HG      THR  31  -1.210  -9.238   5.650
  284   HG22  THR  31          1HG2      THR  31  -2.633  -8.328   6.160
  285   HG23  THR  31          2HG2      THR  31  -1.198  -8.366   7.180
  286    H    CYS  32           H        CYS  32   0.731  -4.749   5.160
  287    HA   CYS  32           HA       CYS  32   2.823  -5.258   7.070
  288    HB2  CYS  32           2HB      CYS  32   2.602  -4.210   4.370
  289    HB3  CYS  32           1HB      CYS  32   3.655  -3.197   5.360
  290    H    GLY  33           H        GLY  33   0.233  -3.522   7.430
  291    HA2  GLY  33           2HA      GLY  33  -0.385  -1.571   8.500
  292    HA3  GLY  33           1HA      GLY  33   0.977  -1.958   9.550
  293    H    THR  34           H        THR  34   1.003  -1.073   6.100
  294    HA   THR  34           HA       THR  34   2.931   1.052   6.780
  295    HB   THR  34           HB       THR  34   3.589  -0.465   4.990
  296    HG1  THR  34           1HG      THR  34   4.134   1.751   4.790
  297   HG21  THR  34          31HG      THR  34   0.881   0.278   3.940
  298   HG22  THR  34          1HG2      THR  34   1.625  -1.315   4.090
  299   HG23  THR  34          2HG2      THR  34   2.157  -0.206   2.820
  300    H    CYS  35           H        CYS  35  -0.315   0.637   5.520
  301    HA   CYS  35           HA       CYS  35  -0.584   3.586   5.450
  302    HB2  CYS  35           2HB      CYS  35  -0.639   2.443   3.180
  303    HB3  CYS  35           1HB      CYS  35  -2.148   1.700   3.690
  304    HN1  NH2  36           H2       NH2  36  -2.810   1.857   8.000
  305    HN2  NH2  36           H1       NH2  36  -1.150   1.709   7.670
  Start of MODEL   17
    1    HA   PFX   0           HA       PFX   0 -13.266  -0.337  -9.408
    2    H1N  PFX   0           H1N      PFX   0 -12.726  -2.311 -10.723
    3    H2N  PFX   0           H2N      PFX   0 -13.302  -2.719  -9.178
    4    H3N  PFX   0           H3N      PFX   0 -11.641  -2.820  -9.523
    5    H1B  PFX   0           1HB      PFX   0 -11.472   0.084  -7.551
    6    H2B  PFX   0           2HB      PFX   0 -11.291  -1.670  -7.570
    7    HD1  PFX   0           HD1      PFX   0 -13.111   1.027  -6.189
    8    HD2  PFX   0           HD2      PFX   0 -13.569  -3.028  -7.516
    9    HE1  PFX   0           HE1      PFX   0 -15.158   0.810  -4.812
   10    HE2  PFX   0           HE2      PFX   0 -15.617  -3.248  -6.140
   11    HNH  PFX   0           HNH      PFX   0 -10.580   0.989  -8.650
   12    H11  PFX   0          1HNH      PFX   0 -11.006   2.096 -11.295
   13    H21  PFX   0          2HNH      PFX   0  -9.327   1.708 -10.929
   14    H12  PFX   0           1H2      PFX   0 -10.988   3.925  -9.958
   15    H22  PFX   0           2H2      PFX   0  -9.231   3.777 -10.013
   16    H14  PFX   0           1H4      PFX   0 -11.299   4.432  -7.323
   17    H24  PFX   0           2H4      PFX   0  -9.832   5.060  -8.076
   18    H15  PFX   0           1H5      PFX   0 -10.040   3.390  -5.557
   19    H25  PFX   0           2H5      PFX   0  -9.439   5.041  -5.705
   20    H17  PFX   0           1H7      PFX   0  -7.004   2.335  -5.228
   21    H27  PFX   0           2H7      PFX   0  -8.102   3.408  -4.362
   22    H    ARG   1           H        ARG   1  -7.706   5.759  -4.751
   23    HA   ARG   1           HA       ARG   1  -4.900   6.398  -4.356
   24    HB2  ARG   1           2HB      ARG   1  -7.475   7.851  -4.252
   25    HB3  ARG   1           1HB      ARG   1  -6.230   8.421  -3.140
   26    HG2  ARG   1           2HG      ARG   1  -4.665   8.751  -4.942
   27    HG3  ARG   1           1HG      ARG   1  -5.740   7.954  -6.091
   28    HD2  ARG   1           2HD      ARG   1  -6.371  10.097  -6.564
   29    HD3  ARG   1           1HD      ARG   1  -7.403   9.872  -5.158
   30    HE   ARG   1           HE       ARG   1  -5.726  11.050  -3.837
   31   HH11  ARG   1          1HH2      ARG   1  -5.365  11.140  -7.291
   32   HH12  ARG   1          2HH2      ARG   1  -4.386  12.566  -7.280
   33   HH21  ARG   1          1HH1      ARG   1  -4.441  12.915  -3.836
   34   HH22  ARG   1          2HH1      ARG   1  -3.863  13.567  -5.332
   35    H    SER   2           H        SER   2  -7.661   5.378  -2.460
   36    HA   SER   2           HA       SER   2  -6.739   6.002   0.114
   37    HB2  SER   2           2HB      SER   2  -8.245   3.467  -0.373
   38    HB3  SER   2           1HB      SER   2  -8.457   4.665   0.898
   39    HG   SER   2           HG       SER   2  -9.020   5.063  -1.859
   40    H    CYS   3           H        CYS   3  -6.662   3.621   1.524
   41    HA   CYS   3           HA       CYS   3  -4.070   2.515   0.638
   42    HB2  CYS   3           2HB      CYS   3  -5.263   2.900   3.385
   43    HB3  CYS   3           1HB      CYS   3  -3.842   1.895   3.094
   44    H    ILE   4           H        ILE   4  -5.640   1.180  -0.745
   45    HA   ILE   4           HA       ILE   4  -5.901  -1.422   0.509
   46    HB   ILE   4           HB       ILE   4  -8.374  -1.228  -0.735
   47   HG12  ILE   4          2HG1      ILE   4  -8.019   1.200   1.039
   48   HG13  ILE   4          1HG1      ILE   4  -7.948   1.289  -0.720
   49   HG21  ILE   4          1HG2      ILE   4  -7.716  -2.372   1.414
   50   HG22  ILE   4          2HG2      ILE   4  -9.250  -1.505   1.504
   51   HG23  ILE   4          31HG      ILE   4  -7.795  -0.800   2.210
   52   HD11  ILE   4          3HD1      ILE   4 -10.200   0.642  -0.966
   53   HD12  ILE   4          1HD1      ILE   4 -10.235   1.727   0.425
   54   HD13  ILE   4          2HD1      ILE   4 -10.281  -0.020   0.666
   55    H    ASP   5           H        ASP   5  -6.045  -3.118  -1.039
   56    HA   ASP   5           HA       ASP   5  -5.836  -2.262  -3.850
   57    HB2  ASP   5           2HB      ASP   5  -3.625  -2.813  -2.555
   58    HB3  ASP   5           1HB      ASP   5  -4.106  -4.476  -2.892
   59    H    THR   6           H        THR   6  -5.567  -4.389  -5.213
   60    HA   THR   6           HA       THR   6  -8.040  -5.881  -4.838
   61    HB   THR   6           HB       THR   6  -7.606  -6.668  -7.093
   62    HG1  THR   6           1HG      THR   6  -5.090  -6.187  -6.368
   63   HG21  THR   6          31HG      THR   6  -6.654  -3.954  -7.570
   64   HG22  THR   6          1HG2      THR   6  -7.952  -4.000  -6.380
   65   HG23  THR   6          2HG2      THR   6  -8.207  -4.679  -7.988
   66    H    ILE   7           H        ILE   7  -5.591  -6.222  -3.138
   67    HA   ILE   7           HA       ILE   7  -4.826  -8.976  -3.809
   68    HB   ILE   7           HB       ILE   7  -3.105  -7.234  -3.417
   69   HG12  ILE   7          2HG1      ILE   7  -3.192  -9.526  -1.432
   70   HG13  ILE   7          1HG1      ILE   7  -2.560  -9.599  -3.075
   71   HG21  ILE   7          1HG2      ILE   7  -3.872  -7.422  -0.505
   72   HG22  ILE   7          2HG2      ILE   7  -4.571  -6.186  -1.552
   73   HG23  ILE   7          31HG      ILE   7  -2.830  -6.238  -1.288
   74   HD11  ILE   7          3HD1      ILE   7  -0.901  -9.240  -1.079
   75   HD12  ILE   7          1HD1      ILE   7  -1.455  -7.569  -1.155
   76   HD13  ILE   7          2HD1      ILE   7  -0.688  -8.310  -2.559
   77    HA   PRO   8           HA       PRO   8  -7.439 -10.227  -0.363
   78    HB2  PRO   8           2HB      PRO   8  -7.197 -12.907  -0.720
   79    HB3  PRO   8           1HB      PRO   8  -8.214 -11.902  -1.770
   80    HG2  PRO   8           2HG      PRO   8  -5.517 -13.035  -2.267
   81    HG3  PRO   8           1HG      PRO   8  -6.871 -12.805  -3.385
   82    HD2  PRO   8           2HD      PRO   8  -4.662 -11.119  -3.210
   83    HD3  PRO   8           1HD      PRO   8  -6.232 -10.664  -3.905
   84    H    LYS   9           H        LYS   9  -6.927 -10.644   1.758
   85    HA   LYS   9           HA       LYS   9  -4.403 -10.503   2.773
   86    HB2  LYS   9           2HB      LYS   9  -5.311 -11.675   4.806
   87    HB3  LYS   9           1HB      LYS   9  -6.294 -10.327   4.235
   88    HG2  LYS   9           2HG      LYS   9  -8.043 -11.745   4.152
   89    HG3  LYS   9           1HG      LYS   9  -7.233 -12.555   2.810
   90    HD2  LYS   9           2HD      LYS   9  -7.592 -14.289   4.372
   91    HD3  LYS   9           1HD      LYS   9  -5.912 -13.825   4.640
   92    HE2  LYS   9           2HE      LYS   9  -6.453 -13.501   6.804
   93    HE3  LYS   9           1HE      LYS   9  -7.376 -12.094   6.276
   94    HZ1  LYS   9           3HZ      LYS   9  -9.277 -13.135   6.688
   95    HZ2  LYS   9           1HZ      LYS   9  -8.380 -14.345   7.468
   96    HZ3  LYS   9           2HZ      LYS   9  -8.799 -14.522   5.831
   97    H    SER  10           H        SER  10  -5.747 -13.183   1.107
   98    HA   SER  10           HA       SER  10  -3.979 -15.165   2.266
   99    HB2  SER  10           2HB      SER  10  -6.331 -15.525   1.196
  100    HB3  SER  10           1HB      SER  10  -5.445 -15.532  -0.326
  101    HG   SER  10           HG       SER  10  -5.571 -17.414   1.646
  102    H    ARG  11           H        ARG  11  -2.919 -12.689   0.828
  103    HA   ARG  11           HA       ARG  11  -1.070 -14.171  -0.932
  104    HB2  ARG  11           2HB      ARG  11  -2.616 -11.673  -1.550
  105    HB3  ARG  11           1HB      ARG  11  -1.046 -11.953  -2.304
  106    HG2  ARG  11           2HG      ARG  11  -2.684 -14.351  -2.397
  107    HG3  ARG  11           1HG      ARG  11  -3.511 -12.989  -3.151
  108    HD2  ARG  11           2HD      ARG  11  -2.119 -14.189  -4.793
  109    HD3  ARG  11           1HD      ARG  11  -1.538 -12.545  -4.548
  110    HE   ARG  11           HE       ARG  11   0.348 -13.418  -3.407
  111   HH11  ARG  11          1HH2      ARG  11  -1.910 -15.837  -4.426
  112   HH12  ARG  11          2HH2      ARG  11  -0.803 -17.154  -4.220
  113   HH21  ARG  11          1HH1      ARG  11   1.805 -15.140  -3.137
  114   HH22  ARG  11          2HH1      ARG  11   1.300 -16.759  -3.490
  115    H    CYS  12           H        CYS  12  -1.509 -12.010   1.643
  116    HA   CYS  12           HA       CYS  12   1.185 -10.867   1.338
  117    HB2  CYS  12           2HB      CYS  12  -1.173  -9.712   2.169
  118    HB3  CYS  12           1HB      CYS  12  -0.365 -10.067   3.696
  119    H    THR  13           H        THR  13   2.603 -12.417   1.969
  120    HA   THR  13           HA       THR  13   2.213 -13.605   4.651
  121    HB   THR  13           HB       THR  13   3.188 -15.571   3.919
  122    HG1  THR  13           1HG      THR  13   4.588 -15.608   2.108
  123   HG21  THR  13          31HG      THR  13   2.394 -14.886   1.153
  124   HG22  THR  13          1HG2      THR  13   1.170 -14.580   2.385
  125   HG23  THR  13          2HG2      THR  13   1.841 -16.200   2.193
  126    H    ALA  14           H        ALA  14   4.240 -14.072   5.839
  127    HA   ALA  14           HA       ALA  14   5.806 -11.767   6.191
  128    HB1  ALA  14           1HB      ALA  14   5.834 -13.107   8.067
  129    HB2  ALA  14           2HB      ALA  14   7.378 -13.566   7.348
  130    HB3  ALA  14           3HB      ALA  14   5.963 -14.596   7.133
  131    H    PHE  15           H        PHE  15   5.815 -13.730   3.590
  132    HA   PHE  15           HA       PHE  15   8.713 -13.429   3.105
  133    HB2  PHE  15           2HB      PHE  15   8.527 -15.625   2.597
  134    HB3  PHE  15           1HB      PHE  15   6.770 -15.541   2.491
  135    HD1  PHE  15           1HD      PHE  15   5.680 -14.750   0.379
  136    HD2  PHE  15           2HD      PHE  15   9.909 -15.462   0.643
  137    HE1  PHE  15           1HE      PHE  15   5.829 -14.799  -2.096
  138    HE2  PHE  15           2HE      PHE  15  10.056 -15.510  -1.832
  139    HZ   PHE  15           HZ       PHE  15   8.015 -15.178  -3.201
  140    H    GLN  16           H        GLN  16   5.488 -12.869   1.797
  141    HA   GLN  16           HA       GLN  16   6.379 -11.698  -0.655
  142    HB2  GLN  16           2HB      GLN  16   4.025 -12.710   0.216
  143    HB3  GLN  16           1HB      GLN  16   3.722 -10.986   0.426
  144    HG2  GLN  16           2HG      GLN  16   3.116 -11.148  -1.761
  145    HG3  GLN  16           1HG      GLN  16   4.842 -10.920  -2.015
  146   HE21  GLN  16          1HE2      GLN  16   5.511 -12.354  -3.618
  147   HE22  GLN  16          2HE2      GLN  16   5.022 -13.974  -3.736
  148    H    CYS  17           H        CYS  17   5.113 -10.427   2.411
  149    HA   CYS  17           HA       CYS  17   5.333  -7.687   1.640
  150    HB2  CYS  17           2HB      CYS  17   4.123  -9.081   3.707
  151    HB3  CYS  17           1HB      CYS  17   5.404  -8.171   4.510
  152    H    LYS  18           H        LYS  18   7.762  -9.752   1.907
  153    HA   LYS  18           HA       LYS  18   9.548  -7.759   3.170
  154    HB2  LYS  18           2HB      LYS  18   9.132 -10.229   4.178
  155    HB3  LYS  18           1HB      LYS  18  10.456 -10.573   3.061
  156    HG2  LYS  18           2HG      LYS  18  11.838  -8.863   4.078
  157    HG3  LYS  18           1HG      LYS  18  10.500  -8.325   5.092
  158    HD2  LYS  18           2HD      LYS  18  10.459 -10.727   6.014
  159    HD3  LYS  18           1HD      LYS  18  12.041 -10.915   5.256
  160    HE2  LYS  18           2HE      LYS  18  12.908 -10.005   7.135
  161    HE3  LYS  18           1HE      LYS  18  12.231  -8.473   6.580
  162    HZ1  LYS  18           3HZ      LYS  18  11.493  -9.992   8.816
  163    HZ2  LYS  18           1HZ      LYS  18  10.174  -9.956   7.749
  164    HZ3  LYS  18           2HZ      LYS  18  10.862  -8.502   8.296
  165    H    HIS  19           H        HIS  19   9.136 -10.170   0.627
  166    HA   HIS  19           HA       HIS  19  11.656  -9.417  -0.632
  167    HB2  HIS  19           2HB      HIS  19   9.495 -11.340  -1.527
  168    HB3  HIS  19           1HB      HIS  19  11.074 -11.138  -2.289
  169    HD1  HIS  19           1HD      HIS  19  10.154 -11.430   1.404
  170    HD2  HIS  19           2HD      HIS  19  12.529 -13.333  -1.443
  171    HE1  HIS  19           1HE      HIS  19  11.440 -13.231   2.634
  172    HE2  HIS  19           2HE      HIS  19  12.894 -14.401   0.911
  173    H    SER  20           H        SER  20   8.247  -9.578  -1.699
  174    HA   SER  20           HA       SER  20   8.764  -7.688  -3.841
  175    HB2  SER  20           2HB      SER  20   6.405  -8.025  -4.400
  176    HB3  SER  20           1HB      SER  20   7.198  -9.579  -4.152
  177    HG   SER  20           HG       SER  20   6.127  -9.847  -2.314
  178    H    NLE  21           H        NLE  21   9.364  -5.803  -2.748
  179    HA   NLE  21           HA       NLE  21   8.161  -4.606  -0.581
  180    HB2  NLE  21           1HB      NLE  21  10.191  -3.688  -1.437
  181    HB3  NLE  21           2HB      NLE  21   8.964  -2.429  -1.584
  182    HG2  NLE  21           1HG      NLE  21   9.003  -2.495  -3.866
  183    HG3  NLE  21           2HG      NLE  21   9.173  -4.248  -3.909
  184    HD2  NLE  21           1HD      NLE  21  11.567  -3.945  -3.167
  185    HD3  NLE  21           2HD      NLE  21  11.351  -2.208  -3.378
  186    HE1  NLE  21           3HE      NLE  21  10.814  -2.539  -5.747
  187    HE2  NLE  21           1HE      NLE  21  10.936  -4.288  -5.551
  188    HE3  NLE  21           2HE      NLE  21  12.372  -3.278  -5.382
  189    H    LYS  22           H        LYS  22   7.229  -4.204  -4.005
  190    HA   LYS  22           HA       LYS  22   5.347  -2.270  -3.883
  191    HB2  LYS  22           2HB      LYS  22   4.061  -3.467  -5.594
  192    HB3  LYS  22           1HB      LYS  22   5.791  -3.588  -5.918
  193    HG2  LYS  22           2HG      LYS  22   5.737  -5.804  -4.660
  194    HG3  LYS  22           1HG      LYS  22   3.978  -5.691  -4.726
  195    HD2  LYS  22           2HD      LYS  22   4.409  -6.903  -6.665
  196    HD3  LYS  22           1HD      LYS  22   4.393  -5.255  -7.289
  197    HE2  LYS  22           2HE      LYS  22   6.985  -6.410  -6.312
  198    HE3  LYS  22           1HE      LYS  22   6.382  -6.871  -7.902
  199    HZ1  LYS  22           3HZ      LYS  22   7.661  -4.995  -8.304
  200    HZ2  LYS  22           1HZ      LYS  22   7.109  -4.185  -6.918
  201    HZ3  LYS  22           2HZ      LYS  22   6.077  -4.379  -8.253
  202    H    TYR  23           H        TYR  23   5.207  -5.362  -2.285
  203    HA   TYR  23           HA       TYR  23   2.403  -5.248  -1.706
  204    HB2  TYR  23           2HB      TYR  23   4.703  -6.853  -0.603
  205    HB3  TYR  23           1HB      TYR  23   3.106  -6.920   0.142
  206    HD1  TYR  23           2HD      TYR  23   4.722  -7.105  -3.237
  207    HD2  TYR  23           1HD      TYR  23   1.534  -8.426  -0.683
  208    HE1  TYR  23           2HE      TYR  23   3.933  -8.637  -5.020
  209    HE2  TYR  23           1HE      TYR  23   0.748  -9.966  -2.462
  210    HH   TYR  23           HH       TYR  23   1.139 -10.789  -4.482
  211    H    ARG  24           H        ARG  24   5.342  -4.216  -0.065
  212    HA   ARG  24           HA       ARG  24   4.098  -3.420   2.369
  213    HB2  ARG  24           2HB      ARG  24   6.748  -2.903   1.059
  214    HB3  ARG  24           1HB      ARG  24   6.284  -1.997   2.500
  215    HG2  ARG  24           2HG      ARG  24   5.979  -4.052   3.760
  216    HG3  ARG  24           1HG      ARG  24   6.263  -5.023   2.314
  217    HD2  ARG  24           2HD      ARG  24   8.193  -3.816   4.127
  218    HD3  ARG  24           1HD      ARG  24   8.440  -5.049   2.892
  219    HE   ARG  24           HE       ARG  24   8.137  -2.326   1.901
  220   HH11  ARG  24          1HH2      ARG  24  10.232  -4.873   2.942
  221   HH12  ARG  24          2HH2      ARG  24  11.618  -4.264   2.100
  222   HH21  ARG  24          1HH1      ARG  24   9.945  -1.523   0.790
  223   HH22  ARG  24          2HH1      ARG  24  11.455  -2.366   0.881
  224    H    LEU  25           H        LEU  25   4.100  -2.006  -0.761
  225    HA   LEU  25           HA       LEU  25   2.757   0.343   0.308
  226    HB2  LEU  25           2HB      LEU  25   4.298   1.861  -1.045
  227    HB3  LEU  25           1HB      LEU  25   4.948   1.204   0.457
  228    HG   LEU  25           HG       LEU  25   5.372  -0.526  -1.888
  229   HD11  LEU  25          1HD1      LEU  25   6.845   2.119  -1.689
  230   HD12  LEU  25          2HD1      LEU  25   5.615   1.750  -2.899
  231   HD13  LEU  25          3HD1      LEU  25   7.129   0.845  -2.875
  232   HD21  LEU  25          31HD      LEU  25   7.532  -0.809  -0.858
  233   HD22  LEU  25          1HD2      LEU  25   6.345  -0.770   0.446
  234   HD23  LEU  25          2HD2      LEU  25   7.327   0.654   0.104
  235    H    SER  26           H        SER  26   1.682  -1.673  -1.298
  236    HA   SER  26           HA       SER  26   0.762  -0.095  -3.526
  237    HB2  SER  26           2HB      SER  26   1.585  -1.299  -5.273
  238    HB3  SER  26           1HB      SER  26   2.954  -1.441  -4.194
  239    HG   SER  26           HG       SER  26   0.876  -3.289  -4.724
  240    H    PHE  27           H        PHE  27   1.010  -3.527  -2.717
  241    HA   PHE  27           HA       PHE  27  -1.833  -3.852  -3.189
  242    HB2  PHE  27           2HB      PHE  27   0.351  -5.831  -2.568
  243    HB3  PHE  27           1HB      PHE  27  -1.326  -6.257  -2.880
  244    HD1  PHE  27           1HD      PHE  27  -2.392  -5.636  -5.119
  245    HD2  PHE  27           2HD      PHE  27   1.825  -5.294  -4.318
  246    HE1  PHE  27           1HE      PHE  27  -1.929  -5.501  -7.553
  247    HE2  PHE  27           2HE      PHE  27   2.280  -5.160  -6.737
  248    HZ   PHE  27           HZ       PHE  27   0.404  -5.263  -8.366
  249    H    CYS  28           H        CYS  28   0.435  -4.626  -0.529
  250    HA   CYS  28           HA       CYS  28  -1.837  -4.948   1.255
  251    HB2  CYS  28           2HB      CYS  28   1.119  -5.330   1.766
  252    HB3  CYS  28           1HB      CYS  28  -0.158  -5.657   2.931
  253    H    ARG  29           H        ARG  29  -2.222  -2.589   0.739
  254    HA   ARG  29           HA       ARG  29  -0.568  -0.636   2.047
  255    HB2  ARG  29           2HB      ARG  29  -3.407  -0.278   1.112
  256    HB3  ARG  29           1HB      ARG  29  -2.150   0.948   1.253
  257    HG2  ARG  29           2HG      ARG  29  -1.923  -1.431  -0.600
  258    HG3  ARG  29           1HG      ARG  29  -2.614   0.110  -1.108
  259    HD2  ARG  29           2HD      ARG  29   0.215  -0.521  -0.319
  260    HD3  ARG  29           1HD      ARG  29  -0.376   0.359  -1.723
  261    HE   ARG  29           HE       ARG  29   0.169   1.459   0.888
  262   HH11  ARG  29          1HH2      ARG  29  -1.650   1.720  -2.041
  263   HH12  ARG  29          2HH2      ARG  29  -1.933   3.422  -1.879
  264   HH21  ARG  29          1HH1      ARG  29  -0.199   3.690   1.113
  265   HH22  ARG  29          2HH1      ARG  29  -1.116   4.537  -0.088
  266    H    LYS  30           H        LYS  30  -2.093  -2.936   3.536
  267    HA   LYS  30           HA       LYS  30  -2.768  -1.278   5.833
  268    HB2  LYS  30           2HB      LYS  30  -4.941  -2.969   5.837
  269    HB3  LYS  30           1HB      LYS  30  -4.973  -1.269   5.376
  270    HG2  LYS  30           2HG      LYS  30  -6.003  -2.521   3.593
  271    HG3  LYS  30           1HG      LYS  30  -4.424  -1.992   3.015
  272    HD2  LYS  30           2HD      LYS  30  -3.544  -4.123   3.053
  273    HD3  LYS  30           1HD      LYS  30  -4.567  -4.633   4.396
  274    HE2  LYS  30           2HE      LYS  30  -6.536  -4.564   2.834
  275    HE3  LYS  30           1HE      LYS  30  -5.413  -4.251   1.511
  276    HZ1  LYS  30           3HZ      LYS  30  -4.786  -6.372   1.458
  277    HZ2  LYS  30           1HZ      LYS  30  -6.148  -6.701   2.415
  278    HZ3  LYS  30           2HZ      LYS  30  -4.633  -6.472   3.147
  279    H    THR  31           H        THR  31  -2.462  -4.481   4.394
  280    HA   THR  31           HA       THR  31  -2.564  -6.002   6.760
  281    HB   THR  31           HB       THR  31  -0.678  -6.945   4.701
  282    HG1  THR  31           1HG      THR  31  -2.578  -5.565   3.790
  283   HG21  THR  31          31HG      THR  31  -3.276  -8.233   5.436
  284   HG22  THR  31          1HG2      THR  31  -2.006  -8.142   6.658
  285   HG23  THR  31          2HG2      THR  31  -1.705  -8.974   5.133
  286    H    CYS  32           H        CYS  32   0.331  -4.992   4.923
  287    HA   CYS  32           HA       CYS  32   2.170  -5.679   6.964
  288    HB2  CYS  32           2HB      CYS  32   2.256  -4.529   4.336
  289    HB3  CYS  32           1HB      CYS  32   3.240  -3.547   5.421
  290    H    GLY  33           H        GLY  33  -0.230  -3.547   7.198
  291    HA2  GLY  33           2HA      GLY  33  -0.671  -1.736   8.548
  292    HA3  GLY  33           1HA      GLY  33   0.758  -2.210   9.465
  293    H    THR  34           H        THR  34   0.962  -1.502   6.064
  294    HA   THR  34           HA       THR  34   2.929   0.538   6.524
  295    HB   THR  34           HB       THR  34   3.401  -0.571   4.560
  296    HG1  THR  34           1HG      THR  34   3.025   0.859   2.929
  297   HG21  THR  34          31HG      THR  34   1.578  -2.027   4.308
  298   HG22  THR  34          1HG2      THR  34   1.485  -1.023   2.862
  299   HG23  THR  34          2HG2      THR  34   0.413  -0.705   4.226
  300    H    CYS  35           H        CYS  35  -0.492   0.483   6.121
  301    HA   CYS  35           HA       CYS  35  -0.629   3.340   6.553
  302    HB2  CYS  35           2HB      CYS  35  -0.413   3.334   4.135
  303    HB3  CYS  35           1HB      CYS  35  -1.693   2.129   3.992
  304    HN1  NH2  36           H2       NH2  36  -3.764   2.700   7.985
  305    HN2  NH2  36           H1       NH2  36  -2.471   3.780   7.781
  Start of MODEL   18
    1    HA   PFX   0           HA       PFX   0  -4.498  14.957  -8.222
    2    H1N  PFX   0           H1N      PFX   0  -4.029  12.565  -9.826
    3    H2N  PFX   0           H2N      PFX   0  -3.492  14.159 -10.067
    4    H3N  PFX   0           H3N      PFX   0  -5.087  13.727 -10.464
    5    H1B  PFX   0           1HB      PFX   0  -6.477  13.153  -7.414
    6    H2B  PFX   0           2HB      PFX   0  -6.621  13.203  -9.170
    7    HD1  PFX   0           HD1      PFX   0  -6.142  15.518  -6.256
    8    HD2  PFX   0           HD2      PFX   0  -7.875  14.914 -10.134
    9    HE1  PFX   0           HE1      PFX   0  -7.258  17.724  -6.097
   10    HE2  PFX   0           HE2      PFX   0  -8.994  17.120  -9.981
   11    HNH  PFX   0           HNH      PFX   0  -4.895  11.391  -8.159
   12    H11  PFX   0          1HNH      PFX   0  -3.950  11.477  -5.389
   13    H21  PFX   0          2HNH      PFX   0  -3.106  10.385  -6.486
   14    H12  PFX   0           1H2      PFX   0  -4.816   8.890  -6.498
   15    H22  PFX   0           2H2      PFX   0  -6.042  10.154  -6.584
   16    H14  PFX   0           1H4      PFX   0  -7.044   8.444  -5.029
   17    H24  PFX   0           2H4      PFX   0  -7.438  10.128  -4.682
   18    H15  PFX   0           1H5      PFX   0  -7.690   8.139  -2.855
   19    H25  PFX   0           2H5      PFX   0  -7.362   9.815  -2.416
   20    H17  PFX   0           1H7      PFX   0  -5.251  10.580  -2.345
   21    H27  PFX   0           2H7      PFX   0  -3.939   9.521  -1.834
   22    H    ARG   1           H        ARG   1  -3.484  10.163   0.015
   23    HA   ARG   1           HA       ARG   1  -3.330   8.712   1.861
   24    HB2  ARG   1           2HB      ARG   1  -4.324  11.197   2.382
   25    HB3  ARG   1           1HB      ARG   1  -5.576  10.176   3.090
   26    HG2  ARG   1           2HG      ARG   1  -3.913  10.593   4.795
   27    HG3  ARG   1           1HG      ARG   1  -3.764   8.909   4.293
   28    HD2  ARG   1           2HD      ARG   1  -1.716  10.814   4.335
   29    HD3  ARG   1           1HD      ARG   1  -1.658   9.231   3.565
   30    HE   ARG   1           HE       ARG   1  -2.802  10.657   1.628
   31   HH11  ARG   1          1HH2      ARG   1  -0.187  11.417   3.762
   32   HH12  ARG   1          2HH2      ARG   1   0.621  12.450   2.629
   33   HH21  ARG   1          1HH1      ARG   1  -1.753  12.013   0.138
   34   HH22  ARG   1          2HH1      ARG   1  -0.268  12.789   0.577
   35    H    SER   2           H        SER   2  -4.286   6.851   0.639
   36    HA   SER   2           HA       SER   2  -6.542   5.823   2.140
   37    HB2  SER   2           2HB      SER   2  -7.354   7.142   0.020
   38    HB3  SER   2           1HB      SER   2  -6.819   5.700  -0.840
   39    HG   SER   2           HG       SER   2  -8.778   5.957   1.185
   40    H    CYS   3           H        CYS   3  -5.393   4.081   2.852
   41    HA   CYS   3           HA       CYS   3  -3.703   2.549   1.072
   42    HB2  CYS   3           2HB      CYS   3  -4.000   0.991   3.300
   43    HB3  CYS   3           1HB      CYS   3  -2.783   2.254   3.120
   44    H    ILE   4           H        ILE   4  -4.751   1.446  -0.484
   45    HA   ILE   4           HA       ILE   4  -6.840  -0.446   0.382
   46    HB   ILE   4           HB       ILE   4  -7.432   0.346  -2.275
   47   HG12  ILE   4          2HG1      ILE   4  -6.941   2.654  -0.365
   48   HG13  ILE   4          1HG1      ILE   4  -6.195   2.404  -1.943
   49   HG21  ILE   4          1HG2      ILE   4  -8.792   1.025   0.352
   50   HG22  ILE   4          2HG2      ILE   4  -9.018  -0.471  -0.555
   51   HG23  ILE   4          31HG      ILE   4  -9.546   1.067  -1.241
   52   HD11  ILE   4          3HD1      ILE   4  -8.976   2.289  -2.395
   53   HD12  ILE   4          1HD1      ILE   4  -7.879   3.591  -2.854
   54   HD13  ILE   4          2HD1      ILE   4  -8.727   3.656  -1.309
   55    H    ASP   5           H        ASP   5  -6.631  -2.447  -0.403
   56    HA   ASP   5           HA       ASP   5  -4.316  -3.073  -2.052
   57    HB2  ASP   5           2HB      ASP   5  -4.647  -5.317  -1.397
   58    HB3  ASP   5           1HB      ASP   5  -5.076  -4.372   0.031
   59    H    THR   6           H        THR   6  -4.702  -4.931  -3.666
   60    HA   THR   6           HA       THR   6  -7.205  -4.622  -5.164
   61    HB   THR   6           HB       THR   6  -5.690  -3.012  -6.202
   62    HG1  THR   6           1HG      THR   6  -5.361  -4.730  -8.171
   63   HG21  THR   6          31HG      THR   6  -3.682  -4.653  -5.387
   64   HG22  THR   6          1HG2      THR   6  -3.485  -3.406  -6.619
   65   HG23  THR   6          2HG2      THR   6  -3.773  -5.080  -7.096
   66    H    ILE   7           H        ILE   7  -5.342  -6.612  -3.571
   67    HA   ILE   7           HA       ILE   7  -5.922  -8.881  -5.347
   68    HB   ILE   7           HB       ILE   7  -3.771  -9.418  -5.693
   69   HG12  ILE   7          2HG1      ILE   7  -3.300  -8.878  -2.743
   70   HG13  ILE   7          1HG1      ILE   7  -3.659 -10.448  -3.462
   71   HG21  ILE   7          1HG2      ILE   7  -3.598  -6.958  -5.909
   72   HG22  ILE   7          2HG2      ILE   7  -2.090  -7.674  -5.339
   73   HG23  ILE   7          31HG      ILE   7  -3.162  -6.853  -4.204
   74   HD11  ILE   7          3HD1      ILE   7  -1.447  -9.256  -4.865
   75   HD12  ILE   7          1HD1      ILE   7  -1.486 -10.760  -3.946
   76   HD13  ILE   7          2HD1      ILE   7  -1.112  -9.241  -3.134
   77    HA   PRO   8           HA       PRO   8  -7.423 -10.928  -1.779
   78    HB2  PRO   8           2HB      PRO   8  -6.173 -13.420  -2.003
   79    HB3  PRO   8           1HB      PRO   8  -7.677 -12.942  -2.808
   80    HG2  PRO   8           2HG      PRO   8  -4.920 -13.082  -3.876
   81    HG3  PRO   8           1HG      PRO   8  -6.468 -13.372  -4.687
   82    HD2  PRO   8           2HD      PRO   8  -5.023 -11.094  -5.061
   83    HD3  PRO   8           1HD      PRO   8  -6.797 -11.129  -5.159
   84    H    LYS   9           H        LYS   9  -6.529  -9.871  -0.034
   85    HA   LYS   9           HA       LYS   9  -3.943  -9.724   0.845
   86    HB2  LYS   9           2HB      LYS   9  -5.067  -9.791   3.219
   87    HB3  LYS   9           1HB      LYS   9  -5.426  -8.466   2.111
   88    HG2  LYS   9           2HG      LYS   9  -7.164 -10.779   1.680
   89    HG3  LYS   9           1HG      LYS   9  -7.305 -10.128   3.312
   90    HD2  LYS   9           2HD      LYS   9  -7.292  -8.247   0.970
   91    HD3  LYS   9           1HD      LYS   9  -8.774  -9.114   1.376
   92    HE2  LYS   9           2HE      LYS   9  -7.950  -6.737   2.528
   93    HE3  LYS   9           1HE      LYS   9  -9.142  -7.841   3.213
   94    HZ1  LYS   9           3HZ      LYS   9  -7.197  -7.188   4.675
   95    HZ2  LYS   9           1HZ      LYS   9  -6.242  -8.181   3.686
   96    HZ3  LYS   9           2HZ      LYS   9  -7.540  -8.847   4.557
   97    H    SER  10           H        SER  10  -5.707 -12.561   0.461
   98    HA   SER  10           HA       SER  10  -4.606 -14.095   2.616
   99    HB2  SER  10           2HB      SER  10  -6.657 -14.473   0.844
  100    HB3  SER  10           1HB      SER  10  -5.428 -15.558   0.202
  101    HG   SER  10           HG       SER  10  -5.606 -15.637   2.923
  102    H    ARG  11           H        ARG  11  -3.100 -12.714   0.060
  103    HA   ARG  11           HA       ARG  11  -1.213 -14.954  -0.297
  104    HB2  ARG  11           2HB      ARG  11  -2.393 -13.096  -2.139
  105    HB3  ARG  11           1HB      ARG  11  -0.645 -12.863  -2.129
  106    HG2  ARG  11           2HG      ARG  11  -0.216 -15.048  -2.836
  107    HG3  ARG  11           1HG      ARG  11  -1.767 -15.651  -2.249
  108    HD2  ARG  11           2HD      ARG  11  -1.949 -13.559  -4.325
  109    HD3  ARG  11           1HD      ARG  11  -1.251 -15.084  -4.863
  110    HE   ARG  11           HE       ARG  11  -3.610 -15.571  -3.353
  111   HH11  ARG  11          1HH2      ARG  11  -2.475 -14.358  -6.389
  112   HH12  ARG  11          2HH2      ARG  11  -3.903 -14.807  -7.259
  113   HH21  ARG  11          1HH1      ARG  11  -5.483 -16.168  -4.490
  114   HH22  ARG  11          2HH1      ARG  11  -5.606 -15.830  -6.183
  115    H    CYS  12           H        CYS  12  -1.583 -12.250   1.525
  116    HA   CYS  12           HA       CYS  12   1.045 -11.092   1.290
  117    HB2  CYS  12           2HB      CYS  12  -1.354 -10.340   2.484
  118    HB3  CYS  12           1HB      CYS  12  -0.287 -10.664   3.849
  119    H    THR  13           H        THR  13   2.358 -13.000   1.451
  120    HA   THR  13           HA       THR  13   2.361 -14.484   3.950
  121    HB   THR  13           HB       THR  13   3.996 -15.880   2.942
  122    HG1  THR  13           1HG      THR  13   4.327 -14.188   0.748
  123   HG21  THR  13          31HG      THR  13   1.931 -16.340   1.889
  124   HG22  THR  13          1HG2      THR  13   3.063 -16.156   0.550
  125   HG23  THR  13          2HG2      THR  13   1.971 -14.839   0.968
  126    H    ALA  14           H        ALA  14   4.207 -14.625   5.344
  127    HA   ALA  14           HA       ALA  14   5.322 -12.120   6.040
  128    HB1  ALA  14           1HB      ALA  14   6.993 -13.912   7.236
  129    HB2  ALA  14           2HB      ALA  14   5.576 -14.920   6.945
  130    HB3  ALA  14           3HB      ALA  14   5.424 -13.438   7.889
  131    H    PHE  15           H        PHE  15   5.904 -13.802   3.358
  132    HA   PHE  15           HA       PHE  15   8.788 -13.165   3.289
  133    HB2  PHE  15           2HB      PHE  15   8.906 -15.356   2.721
  134    HB3  PHE  15           1HB      PHE  15   7.201 -15.436   2.283
  135    HD1  PHE  15           1HD      PHE  15  10.601 -14.680   1.096
  136    HD2  PHE  15           2HD      PHE  15   6.450 -14.890   0.018
  137    HE1  PHE  15           1HE      PHE  15  11.219 -14.550  -1.300
  138    HE2  PHE  15           2HE      PHE  15   7.068 -14.764  -2.383
  139    HZ   PHE  15           HZ       PHE  15   9.454 -14.593  -3.041
  140    H    GLN  16           H        GLN  16   5.678 -12.711   1.738
  141    HA   GLN  16           HA       GLN  16   6.733 -11.460  -0.628
  142    HB2  GLN  16           2HB      GLN  16   4.055 -11.976   0.543
  143    HB3  GLN  16           1HB      GLN  16   4.181 -10.598  -0.549
  144    HG2  GLN  16           2HG      GLN  16   5.152 -13.394  -1.199
  145    HG3  GLN  16           1HG      GLN  16   3.614 -12.722  -1.736
  146   HE21  GLN  16          1HE2      GLN  16   5.924 -13.542  -3.443
  147   HE22  GLN  16          2HE2      GLN  16   6.381 -12.148  -4.297
  148    H    CYS  17           H        CYS  17   5.471 -10.366   2.473
  149    HA   CYS  17           HA       CYS  17   5.652  -7.548   1.801
  150    HB2  CYS  17           2HB      CYS  17   3.978  -8.553   3.401
  151    HB3  CYS  17           1HB      CYS  17   5.313  -8.816   4.524
  152    H    LYS  18           H        LYS  18   8.078  -9.452   1.826
  153    HA   LYS  18           HA       LYS  18   9.806  -7.647   3.388
  154    HB2  LYS  18           2HB      LYS  18   9.263  -9.860   4.600
  155    HB3  LYS  18           1HB      LYS  18  10.291 -10.615   3.381
  156    HG2  LYS  18           2HG      LYS  18  12.058  -8.868   3.997
  157    HG3  LYS  18           1HG      LYS  18  11.053  -8.499   5.399
  158    HD2  LYS  18           2HD      LYS  18  11.406 -11.365   5.120
  159    HD3  LYS  18           1HD      LYS  18  12.968 -10.548   5.196
  160    HE2  LYS  18           2HE      LYS  18  12.327 -11.008   7.464
  161    HE3  LYS  18           1HE      LYS  18  12.082  -9.280   7.210
  162    HZ1  LYS  18           3HZ      LYS  18   9.744  -9.719   6.769
  163    HZ2  LYS  18           1HZ      LYS  18  10.185 -10.263   8.313
  164    HZ3  LYS  18           2HZ      LYS  18   9.986 -11.377   7.046
  165    H    HIS  19           H        HIS  19   9.488 -10.066   0.843
  166    HA   HIS  19           HA       HIS  19  12.122  -9.333  -0.228
  167    HB2  HIS  19           2HB      HIS  19  10.199 -11.461  -1.195
  168    HB3  HIS  19           1HB      HIS  19  11.887 -11.262  -1.669
  169    HD1  HIS  19           1HD      HIS  19  10.076 -11.498   1.698
  170    HD2  HIS  19           2HD      HIS  19  13.442 -13.019  -0.235
  171    HE1  HIS  19           1HE      HIS  19  11.226 -13.021   3.360
  172    HE2  HIS  19           2HE      HIS  19  13.273 -13.967   2.193
  173    H    SER  20           H        SER  20   8.704  -9.028  -0.847
  174    HA   SER  20           HA       SER  20   9.293  -7.585  -3.361
  175    HB2  SER  20           2HB      SER  20   7.215  -9.482  -2.606
  176    HB3  SER  20           1HB      SER  20   6.546  -7.988  -3.255
  177    HG   SER  20           HG       SER  20   8.678  -9.407  -4.469
  178    H    NLE  21           H        NLE  21   8.722  -5.463  -3.519
  179    HA   NLE  21           HA       NLE  21   7.822  -4.170  -1.069
  180    HB2  NLE  21           1HB      NLE  21   9.755  -3.296  -2.378
  181    HB3  NLE  21           2HB      NLE  21   8.484  -2.110  -2.087
  182    HG2  NLE  21           1HG      NLE  21   7.555  -2.649  -4.361
  183    HG3  NLE  21           2HG      NLE  21   8.965  -3.676  -4.637
  184    HD2  NLE  21           1HD      NLE  21  10.140  -1.389  -3.750
  185    HD3  NLE  21           2HD      NLE  21   8.745  -0.726  -4.587
  186    HE1  NLE  21           3HE      NLE  21  10.821  -1.056  -6.031
  187    HE2  NLE  21           1HE      NLE  21   9.354  -1.825  -6.638
  188    HE3  NLE  21           2HE      NLE  21  10.585  -2.791  -5.825
  189    H    LYS  22           H        LYS  22   6.539  -5.045  -4.178
  190    HA   LYS  22           HA       LYS  22   4.443  -3.127  -4.245
  191    HB2  LYS  22           2HB      LYS  22   3.539  -4.340  -6.055
  192    HB3  LYS  22           1HB      LYS  22   5.279  -4.558  -6.193
  193    HG2  LYS  22           2HG      LYS  22   3.953  -6.627  -4.551
  194    HG3  LYS  22           1HG      LYS  22   3.437  -6.594  -6.232
  195    HD2  LYS  22           2HD      LYS  22   6.339  -6.563  -5.417
  196    HD3  LYS  22           1HD      LYS  22   5.448  -8.050  -5.737
  197    HE2  LYS  22           2HE      LYS  22   5.823  -7.775  -7.938
  198    HE3  LYS  22           1HE      LYS  22   4.898  -6.275  -7.888
  199    HZ1  LYS  22           3HZ      LYS  22   6.941  -5.563  -8.615
  200    HZ2  LYS  22           1HZ      LYS  22   7.803  -6.671  -7.663
  201    HZ3  LYS  22           2HZ      LYS  22   7.083  -5.312  -6.940
  202    H    TYR  23           H        TYR  23   4.869  -4.613  -1.715
  203    HA   TYR  23           HA       TYR  23   2.117  -5.632  -1.357
  204    HB2  TYR  23           2HB      TYR  23   4.714  -6.781  -0.641
  205    HB3  TYR  23           1HB      TYR  23   3.606  -6.679   0.727
  206    HD1  TYR  23           1HD      TYR  23   1.241  -7.611   0.442
  207    HD2  TYR  23           2HD      TYR  23   4.434  -8.437  -2.307
  208    HE1  TYR  23           1HE      TYR  23  -0.004  -9.580  -0.411
  209    HE2  TYR  23           2HE      TYR  23   3.187 -10.405  -3.163
  210    HH   TYR  23           HH       TYR  23   0.774 -11.142  -3.274
  211    H    ARG  24           H        ARG  24   4.889  -4.009   0.113
  212    HA   ARG  24           HA       ARG  24   3.523  -3.141   2.462
  213    HB2  ARG  24           2HB      ARG  24   6.080  -2.261   1.117
  214    HB3  ARG  24           1HB      ARG  24   5.502  -1.557   2.627
  215    HG2  ARG  24           2HG      ARG  24   5.447  -3.840   3.631
  216    HG3  ARG  24           1HG      ARG  24   6.132  -4.483   2.137
  217    HD2  ARG  24           2HD      ARG  24   7.416  -2.449   3.979
  218    HD3  ARG  24           1HD      ARG  24   7.925  -4.117   3.745
  219    HE   ARG  24           HE       ARG  24   7.990  -2.128   1.548
  220   HH11  ARG  24          1HH2      ARG  24   9.434  -4.645   3.464
  221   HH12  ARG  24          2HH2      ARG  24  10.849  -4.758   2.476
  222   HH21  ARG  24          1HH1      ARG  24   9.849  -2.286   0.268
  223   HH22  ARG  24          2HH1      ARG  24  11.083  -3.431   0.673
  224    H    LEU  25           H        LEU  25   3.287  -2.152  -0.763
  225    HA   LEU  25           HA       LEU  25   1.638   0.100  -0.031
  226    HB2  LEU  25           2HB      LEU  25   2.957   1.739  -1.397
  227    HB3  LEU  25           1HB      LEU  25   3.749   1.241   0.099
  228    HG   LEU  25           HG       LEU  25   4.410  -0.567  -2.078
  229   HD11  LEU  25          1HD1      LEU  25   5.929   1.246  -3.166
  230   HD12  LEU  25          2HD1      LEU  25   4.780   2.397  -2.485
  231   HD13  LEU  25          3HD1      LEU  25   4.232   1.185  -3.642
  232   HD21  LEU  25          31HD      LEU  25   5.612  -0.270   0.103
  233   HD22  LEU  25          1HD2      LEU  25   6.122   1.329  -0.440
  234   HD23  LEU  25          2HD2      LEU  25   6.673  -0.111  -1.297
  235    H    SER  26           H        SER  26   0.994  -2.222  -1.353
  236    HA   SER  26           HA       SER  26  -0.015  -1.163  -3.855
  237    HB2  SER  26           2HB      SER  26   2.326  -2.806  -3.870
  238    HB3  SER  26           1HB      SER  26   1.000  -3.729  -4.561
  239    HG   SER  26           HG       SER  26   1.217  -2.534  -6.262
  240    H    PHE  27           H        PHE  27   0.516  -4.268  -2.191
  241    HA   PHE  27           HA       PHE  27  -2.326  -4.925  -2.603
  242    HB2  PHE  27           2HB      PHE  27  -0.192  -6.773  -1.541
  243    HB3  PHE  27           1HB      PHE  27  -1.734  -7.198  -2.275
  244    HD1  PHE  27           2HD      PHE  27  -1.527  -5.075  -4.568
  245    HD2  PHE  27           1HD      PHE  27   1.187  -8.050  -3.068
  246    HE1  PHE  27           2HE      PHE  27  -0.436  -5.199  -6.783
  247    HE2  PHE  27           1HE      PHE  27   2.270  -8.178  -5.289
  248    HZ   PHE  27           HZ       PHE  27   1.460  -6.751  -7.149
  249    H    CYS  28           H        CYS  28   0.121  -5.281  -0.010
  250    HA   CYS  28           HA       CYS  28  -2.028  -5.197   1.977
  251    HB2  CYS  28           2HB      CYS  28   0.835  -6.029   1.975
  252    HB3  CYS  28           1HB      CYS  28   0.155  -5.437   3.493
  253    H    ARG  29           H        ARG  29  -2.257  -2.906   0.975
  254    HA   ARG  29           HA       ARG  29  -0.444  -0.852   1.696
  255    HB2  ARG  29           2HB      ARG  29  -3.398  -0.773   1.058
  256    HB3  ARG  29           1HB      ARG  29  -2.371   0.653   1.210
  257    HG2  ARG  29           2HG      ARG  29  -1.223  -1.373  -0.559
  258    HG3  ARG  29           1HG      ARG  29  -2.797  -0.797  -1.116
  259    HD2  ARG  29           2HD      ARG  29  -0.740   0.537  -1.893
  260    HD3  ARG  29           1HD      ARG  29  -2.068   1.459  -1.195
  261    HE   ARG  29           HE       ARG  29   0.141   0.641   0.568
  262   HH11  ARG  29          1HH2      ARG  29  -1.596   3.077  -1.179
  263   HH12  ARG  29          2HH2      ARG  29  -0.868   4.398  -0.328
  264   HH21  ARG  29          1HH1      ARG  29   1.100   2.370   1.682
  265   HH22  ARG  29          2HH1      ARG  29   0.658   3.999   1.291
  266    H    LYS  30           H        LYS  30  -1.963  -2.793   3.784
  267    HA   LYS  30           HA       LYS  30  -1.930  -0.770   5.887
  268    HB2  LYS  30           2HB      LYS  30  -4.256  -1.780   6.617
  269    HB3  LYS  30           1HB      LYS  30  -4.181  -0.452   5.459
  270    HG2  LYS  30           2HG      LYS  30  -4.439  -1.948   3.598
  271    HG3  LYS  30           1HG      LYS  30  -4.209  -3.361   4.628
  272    HD2  LYS  30           2HD      LYS  30  -6.308  -2.062   5.863
  273    HD3  LYS  30           1HD      LYS  30  -6.632  -1.769   4.155
  274    HE2  LYS  30           2HE      LYS  30  -6.362  -4.411   5.585
  275    HE3  LYS  30           1HE      LYS  30  -7.698  -3.834   4.589
  276    HZ1  LYS  30           3HZ      LYS  30  -6.289  -3.951   2.652
  277    HZ2  LYS  30           1HZ      LYS  30  -6.317  -5.459   3.427
  278    HZ3  LYS  30           2HZ      LYS  30  -4.964  -4.445   3.596
  279    H    THR  31           H        THR  31  -2.584  -4.118   4.980
  280    HA   THR  31           HA       THR  31  -2.528  -5.408   7.396
  281    HB   THR  31           HB       THR  31  -0.896  -6.920   5.605
  282    HG1  THR  31           1HG      THR  31  -2.939  -5.359   4.455
  283   HG21  THR  31          31HG      THR  31  -2.484  -7.985   7.028
  284   HG22  THR  31          1HG2      THR  31  -3.099  -8.197   5.389
  285   HG23  THR  31          2HG2      THR  31  -3.800  -6.967   6.441
  286    H    CYS  32           H        CYS  32   0.309  -4.560   5.412
  287    HA   CYS  32           HA       CYS  32   2.141  -5.369   7.495
  288    HB2  CYS  32           2HB      CYS  32   2.492  -4.047   4.803
  289    HB3  CYS  32           1HB      CYS  32   3.839  -4.294   5.915
  290    H    GLY  33           H        GLY  33   0.088  -3.129   7.801
  291    HA2  GLY  33           2HA      GLY  33  -0.055  -1.066   8.816
  292    HA3  GLY  33           1HA      GLY  33   1.436  -1.536   9.625
  293    H    THR  34           H        THR  34   1.020  -1.081   6.151
  294    HA   THR  34           HA       THR  34   3.284   0.709   6.082
  295    HB   THR  34           HB       THR  34   3.371  -0.367   4.101
  296    HG1  THR  34           1HG      THR  34   3.005   1.378   2.997
  297   HG21  THR  34          31HG      THR  34   1.636  -1.951   4.567
  298   HG22  THR  34          1HG2      THR  34   1.289  -1.281   2.974
  299   HG23  THR  34          2HG2      THR  34   0.380  -0.725   4.378
  300    H    CYS  35           H        CYS  35  -0.201   1.027   5.384
  301    HA   CYS  35           HA       CYS  35  -0.580   3.485   4.481
  302    HB2  CYS  35           2HB      CYS  35  -2.260   1.859   5.686
  303    HB3  CYS  35           1HB      CYS  35  -1.984   2.926   7.062
  304    HN1  NH2  36           H2       NH2  36   0.466   4.755   8.233
  305    HN2  NH2  36           H1       NH2  36  -0.433   3.326   8.058
  Start of MODEL   19
    1    HA   PFX   0           HA       PFX   0  -6.411  12.721   3.023
    2    H1N  PFX   0           H1N      PFX   0  -6.764  15.050   2.988
    3    H2N  PFX   0           H2N      PFX   0  -7.244  14.500   4.522
    4    H3N  PFX   0           H3N      PFX   0  -8.412  14.882   3.350
    5    H1B  PFX   0           1HB      PFX   0  -9.180  11.895   3.400
    6    H2B  PFX   0           2HB      PFX   0  -8.560  12.757   4.810
    7    HD1  PFX   0           HD1      PFX   0  -7.007  10.431   2.306
    8    HD2  PFX   0           HD2      PFX   0  -7.827  11.260   6.435
    9    HE1  PFX   0           HE1      PFX   0  -5.716   8.421   2.964
   10    HE2  PFX   0           HE2      PFX   0  -6.536   9.252   7.097
   11    HNH  PFX   0           HNH      PFX   0  -6.842  11.763   0.522
   12    H11  PFX   0          1HNH      PFX   0  -5.650  14.170   0.335
   13    H21  PFX   0          2HNH      PFX   0  -7.206  14.482  -0.431
   14    H12  PFX   0           1H2      PFX   0  -5.047  13.594  -1.796
   15    H22  PFX   0           2H2      PFX   0  -6.703  13.217  -2.272
   16    H14  PFX   0           1H4      PFX   0  -3.745  11.138  -1.780
   17    H24  PFX   0           2H4      PFX   0  -4.687  11.810  -3.110
   18    H15  PFX   0           1H5      PFX   0  -5.064   9.673  -3.747
   19    H25  PFX   0           2H5      PFX   0  -6.135   9.556  -2.351
   20    H17  PFX   0           1H7      PFX   0  -5.798   7.431  -1.900
   21    H27  PFX   0           2H7      PFX   0  -4.209   6.774  -1.508
   22    H    ARG   1           H        ARG   1  -2.757   7.719  -3.584
   23    HA   ARG   1           HA       ARG   1  -3.590   5.672  -5.536
   24    HB2  ARG   1           2HB      ARG   1  -2.514   7.865  -6.281
   25    HB3  ARG   1           1HB      ARG   1  -1.021   7.254  -5.566
   26    HG2  ARG   1           2HG      ARG   1  -0.958   6.638  -7.882
   27    HG3  ARG   1           1HG      ARG   1  -1.334   5.166  -6.986
   28    HD2  ARG   1           2HD      ARG   1  -3.261   4.941  -8.119
   29    HD3  ARG   1           1HD      ARG   1  -3.787   6.529  -7.570
   30    HE   ARG   1           HE       ARG   1  -1.974   6.363  -9.886
   31   HH11  ARG   1          1HH2      ARG   1  -5.080   7.028  -8.500
   32   HH12  ARG   1          2HH2      ARG   1  -5.669   7.878  -9.889
   33   HH21  ARG   1          1HH1      ARG   1  -2.748   7.473 -11.710
   34   HH22  ARG   1          2HH1      ARG   1  -4.351   8.126 -11.705
   35    H    SER   2           H        SER   2  -1.084   6.421  -3.140
   36    HA   SER   2           HA       SER   2   0.128   3.790  -3.460
   37    HB2  SER   2           2HB      SER   2   1.934   4.651  -2.360
   38    HB3  SER   2           1HB      SER   2   1.216   6.179  -2.866
   39    HG   SER   2           HG       SER   2  -0.008   5.447  -0.655
   40    H    CYS   3           H        CYS   3  -2.599   3.796  -2.547
   41    HA   CYS   3           HA       CYS   3  -2.264   2.166  -0.189
   42    HB2  CYS   3           2HB      CYS   3  -3.753   4.792  -0.017
   43    HB3  CYS   3           1HB      CYS   3  -3.905   3.495   1.169
   44    H    ILE   4           H        ILE   4  -3.081   0.846  -2.068
   45    HA   ILE   4           HA       ILE   4  -5.968   0.546  -1.804
   46    HB   ILE   4           HB       ILE   4  -5.832   0.264  -4.483
   47   HG12  ILE   4          2HG1      ILE   4  -4.109   2.691  -3.944
   48   HG13  ILE   4          1HG1      ILE   4  -3.402   1.113  -4.292
   49   HG21  ILE   4          1HG2      ILE   4  -6.729   2.654  -4.561
   50   HG22  ILE   4          2HG2      ILE   4  -6.379   2.741  -2.834
   51   HG23  ILE   4          31HG      ILE   4  -7.546   1.565  -3.439
   52   HD11  ILE   4          3HD1      ILE   4  -3.656   1.560  -6.484
   53   HD12  ILE   4          1HD1      ILE   4  -4.564   3.028  -6.127
   54   HD13  ILE   4          2HD1      ILE   4  -5.401   1.481  -6.242
   55    H    ASP   5           H        ASP   5  -6.446  -1.587  -1.705
   56    HA   ASP   5           HA       ASP   5  -4.320  -3.496  -2.330
   57    HB2  ASP   5           2HB      ASP   5  -6.110  -5.141  -1.401
   58    HB3  ASP   5           1HB      ASP   5  -5.280  -4.055  -0.283
   59    H    THR   6           H        THR   6  -4.737  -5.399  -3.557
   60    HA   THR   6           HA       THR   6  -6.936  -5.201  -5.510
   61    HB   THR   6           HB       THR   6  -5.304  -5.887  -7.284
   62    HG1  THR   6           1HG      THR   6  -3.522  -6.606  -6.440
   63   HG21  THR   6          31HG      THR   6  -5.348  -3.288  -5.884
   64   HG22  THR   6          1HG2      THR   6  -5.602  -3.651  -7.592
   65   HG23  THR   6          2HG2      THR   6  -3.964  -3.535  -6.949
   66    H    ILE   7           H        ILE   7  -5.636  -6.878  -3.111
   67    HA   ILE   7           HA       ILE   7  -6.646  -9.432  -4.086
   68    HB   ILE   7           HB       ILE   7  -4.663 -10.605  -4.018
   69   HG12  ILE   7          2HG1      ILE   7  -4.023  -9.973  -1.718
   70   HG13  ILE   7          1HG1      ILE   7  -2.645  -9.884  -2.808
   71   HG21  ILE   7          1HG2      ILE   7  -4.496  -8.985  -5.838
   72   HG22  ILE   7          2HG2      ILE   7  -2.906  -9.282  -5.141
   73   HG23  ILE   7          31HG      ILE   7  -3.781  -7.806  -4.739
   74   HD11  ILE   7          3HD1      ILE   7  -2.858  -7.909  -1.271
   75   HD12  ILE   7          1HD1      ILE   7  -4.346  -7.490  -2.105
   76   HD13  ILE   7          2HD1      ILE   7  -2.830  -7.493  -2.985
   77    HA   PRO   8           HA       PRO   8  -7.711  -9.874   0.184
   78    HB2  PRO   8           2HB      PRO   8  -7.818 -12.601   0.408
   79    HB3  PRO   8           1HB      PRO   8  -9.057 -11.643  -0.423
   80    HG2  PRO   8           2HG      PRO   8  -6.859 -13.282  -1.548
   81    HG3  PRO   8           1HG      PRO   8  -8.491 -12.991  -2.171
   82    HD2  PRO   8           2HD      PRO   8  -6.212 -11.743  -3.123
   83    HD3  PRO   8           1HD      PRO   8  -7.855 -11.101  -3.305
   84    H    LYS   9           H        LYS   9  -6.836 -10.480   2.259
   85    HA   LYS   9           HA       LYS   9  -4.092 -10.287   2.563
   86    HB2  LYS   9           2HB      LYS   9  -4.453 -11.177   4.858
   87    HB3  LYS   9           1HB      LYS   9  -5.607  -9.915   4.423
   88    HG2  LYS   9           2HG      LYS   9  -7.242 -11.366   4.981
   89    HG3  LYS   9           1HG      LYS   9  -6.807 -12.276   3.536
   90    HD2  LYS   9           2HD      LYS   9  -6.728 -13.814   5.389
   91    HD3  LYS   9           1HD      LYS   9  -5.063 -13.472   4.919
   92    HE2  LYS   9           2HE      LYS   9  -5.758 -13.375   7.462
   93    HE3  LYS   9           1HE      LYS   9  -4.653 -12.169   6.805
   94    HZ1  LYS   9           3HZ      LYS   9  -6.421 -10.627   6.570
   95    HZ2  LYS   9           1HZ      LYS   9  -6.521 -11.253   8.143
   96    HZ3  LYS   9           2HZ      LYS   9  -7.592 -11.800   6.943
   97    H    SER  10           H        SER  10  -5.623 -12.801   1.099
   98    HA   SER  10           HA       SER  10  -4.078 -14.985   2.187
   99    HB2  SER  10           2HB      SER  10  -6.220 -15.582   1.363
  100    HB3  SER  10           1HB      SER  10  -5.961 -14.724  -0.153
  101    HG   SER  10           HG       SER  10  -4.006 -16.348  -0.104
  102    H    ARG  11           H        ARG  11  -3.310 -12.471   0.118
  103    HA   ARG  11           HA       ARG  11  -1.341 -14.132  -1.339
  104    HB2  ARG  11           2HB      ARG  11  -3.038 -11.911  -2.130
  105    HB3  ARG  11           1HB      ARG  11  -1.341 -11.596  -2.491
  106    HG2  ARG  11           2HG      ARG  11  -2.783 -14.152  -3.244
  107    HG3  ARG  11           1HG      ARG  11  -2.560 -12.787  -4.339
  108    HD2  ARG  11           2HD      ARG  11  -0.547 -13.632  -4.882
  109    HD3  ARG  11           1HD      ARG  11  -0.017 -13.290  -3.238
  110    HE   ARG  11           HE       ARG  11  -1.324 -15.689  -3.023
  111   HH11  ARG  11          1HH2      ARG  11   1.218 -14.418  -5.001
  112   HH12  ARG  11          2HH2      ARG  11   2.022 -15.941  -5.185
  113   HH21  ARG  11          1HH1      ARG  11  -0.276 -17.689  -3.262
  114   HH22  ARG  11          2HH1      ARG  11   1.176 -17.794  -4.200
  115    H    CYS  12           H        CYS  12  -1.600 -12.173   1.300
  116    HA   CYS  12           HA       CYS  12   1.066 -10.969   0.953
  117    HB2  CYS  12           2HB      CYS  12  -1.095  -9.702   1.774
  118    HB3  CYS  12           1HB      CYS  12  -0.679 -10.430   3.325
  119    H    THR  13           H        THR  13   2.459 -12.634   1.377
  120    HA   THR  13           HA       THR  13   2.139 -14.087   3.920
  121    HB   THR  13           HB       THR  13   3.311 -15.831   2.995
  122    HG1  THR  13           1HG      THR  13   4.760 -13.762   1.875
  123   HG21  THR  13          31HG      THR  13   1.398 -15.484   1.523
  124   HG22  THR  13          1HG2      THR  13   2.777 -16.029   0.569
  125   HG23  THR  13          2HG2      THR  13   2.316 -14.326   0.559
  126    H    ALA  14           H        ALA  14   4.051 -14.414   5.251
  127    HA   ALA  14           HA       ALA  14   5.375 -12.001   5.868
  128    HB1  ALA  14           1HB      ALA  14   6.710 -14.484   6.725
  129    HB2  ALA  14           2HB      ALA  14   5.001 -14.380   7.152
  130    HB3  ALA  14           3HB      ALA  14   6.121 -13.127   7.687
  131    H    PHE  15           H        PHE  15   5.799 -13.841   3.218
  132    HA   PHE  15           HA       PHE  15   8.715 -13.409   3.087
  133    HB2  PHE  15           2HB      PHE  15   8.614 -15.574   2.428
  134    HB3  PHE  15           1HB      PHE  15   6.897 -15.478   2.048
  135    HD1  PHE  15           2HD      PHE  15  10.238 -14.338   0.785
  136    HD2  PHE  15           1HD      PHE  15   6.202 -15.444  -0.184
  137    HE1  PHE  15           2HE      PHE  15  10.777 -14.189  -1.632
  138    HE2  PHE  15           1HE      PHE  15   6.740 -15.295  -2.599
  139    HZ   PHE  15           HZ       PHE  15   9.027 -14.669  -3.324
  140    H    GLN  16           H        GLN  16   5.638 -12.638   1.600
  141    HA   GLN  16           HA       GLN  16   6.854 -11.278  -0.658
  142    HB2  GLN  16           2HB      GLN  16   4.093 -11.901   0.254
  143    HB3  GLN  16           1HB      GLN  16   4.296 -10.468  -0.755
  144    HG2  GLN  16           2HG      GLN  16   5.722 -12.929  -1.630
  145    HG3  GLN  16           1HG      GLN  16   3.967 -12.932  -1.794
  146   HE21  GLN  16          1HE2      GLN  16   6.516 -12.439  -3.691
  147   HE22  GLN  16          2HE2      GLN  16   5.973 -11.149  -4.650
  148    H    CYS  17           H        CYS  17   5.338 -10.440   2.418
  149    HA   CYS  17           HA       CYS  17   5.417  -7.602   1.942
  150    HB2  CYS  17           2HB      CYS  17   3.766  -8.669   3.464
  151    HB3  CYS  17           1HB      CYS  17   5.085  -9.100   4.553
  152    H    LYS  18           H        LYS  18   7.935  -9.315   1.822
  153    HA   LYS  18           HA       LYS  18   9.563  -7.513   3.475
  154    HB2  LYS  18           2HB      LYS  18   9.162  -9.879   4.511
  155    HB3  LYS  18           1HB      LYS  18  10.296 -10.422   3.276
  156    HG2  LYS  18           2HG      LYS  18  11.168  -8.026   4.786
  157    HG3  LYS  18           1HG      LYS  18  11.046  -9.501   5.738
  158    HD2  LYS  18           2HD      LYS  18  12.619 -10.638   4.414
  159    HD3  LYS  18           1HD      LYS  18  12.430  -9.518   3.066
  160    HE2  LYS  18           2HE      LYS  18  13.462  -8.536   5.718
  161    HE3  LYS  18           1HE      LYS  18  14.554  -9.310   4.570
  162    HZ1  LYS  18           3HZ      LYS  18  14.694  -7.132   3.927
  163    HZ2  LYS  18           1HZ      LYS  18  13.082  -6.782   4.322
  164    HZ3  LYS  18           2HZ      LYS  18  13.438  -7.665   2.914
  165    H    HIS  19           H        HIS  19   9.332  -9.773   0.780
  166    HA   HIS  19           HA       HIS  19  11.886  -8.791  -0.302
  167    HB2  HIS  19           2HB      HIS  19  10.109 -11.013  -1.334
  168    HB3  HIS  19           1HB      HIS  19  11.751 -10.644  -1.860
  169    HD1  HIS  19           1HD      HIS  19  10.185 -11.131   1.598
  170    HD2  HIS  19           2HD      HIS  19  13.427 -12.471  -0.656
  171    HE1  HIS  19           1HE      HIS  19  11.488 -12.713   3.086
  172    HE2  HIS  19           2HE      HIS  19  13.471 -13.534   1.728
  173    H    SER  20           H        SER  20   8.440  -9.047  -1.100
  174    HA   SER  20           HA       SER  20   8.800  -7.574  -3.584
  175    HB2  SER  20           2HB      SER  20   6.333  -8.621  -2.185
  176    HB3  SER  20           1HB      SER  20   6.311  -7.781  -3.733
  177    HG   SER  20           HG       SER  20   7.321  -9.448  -4.665
  178    H    NLE  21           H        NLE  21   8.884  -5.430  -3.650
  179    HA   NLE  21           HA       NLE  21   8.219  -3.819  -1.363
  180    HB2  NLE  21           1HB      NLE  21   8.712  -2.670  -4.086
  181    HB3  NLE  21           2HB      NLE  21  10.030  -3.445  -3.217
  182    HG2  NLE  21           1HG      NLE  21   8.351  -1.500  -1.706
  183    HG3  NLE  21           2HG      NLE  21   9.473  -0.847  -2.901
  184    HD2  NLE  21           1HD      NLE  21  10.590  -2.950  -1.144
  185    HD3  NLE  21           2HD      NLE  21  10.167  -1.443  -0.329
  186    HE1  NLE  21           3HE      NLE  21  12.550  -1.697  -1.395
  187    HE2  NLE  21           1HE      NLE  21  11.670  -0.184  -1.611
  188    HE3  NLE  21           2HE      NLE  21  11.710  -1.375  -2.911
  189    H    LYS  22           H        LYS  22   6.790  -4.431  -4.542
  190    HA   LYS  22           HA       LYS  22   4.706  -2.496  -4.309
  191    HB2  LYS  22           2HB      LYS  22   3.644  -3.841  -6.157
  192    HB3  LYS  22           1HB      LYS  22   5.285  -3.294  -6.499
  193    HG2  LYS  22           2HG      LYS  22   5.894  -5.429  -6.852
  194    HG3  LYS  22           1HG      LYS  22   5.519  -5.790  -5.166
  195    HD2  LYS  22           2HD      LYS  22   3.269  -6.389  -5.694
  196    HD3  LYS  22           1HD      LYS  22   3.398  -5.718  -7.319
  197    HE2  LYS  22           2HE      LYS  22   3.568  -8.202  -7.315
  198    HE3  LYS  22           1HE      LYS  22   5.027  -7.433  -7.939
  199    HZ1  LYS  22           3HZ      LYS  22   4.628  -8.950  -5.502
  200    HZ2  LYS  22           1HZ      LYS  22   5.587  -7.560  -5.338
  201    HZ3  LYS  22           2HZ      LYS  22   6.024  -8.764  -6.453
  202    H    TYR  23           H        TYR  23   5.050  -4.240  -1.984
  203    HA   TYR  23           HA       TYR  23   2.298  -5.271  -1.889
  204    HB2  TYR  23           2HB      TYR  23   4.827  -6.642  -1.227
  205    HB3  TYR  23           1HB      TYR  23   3.536  -6.831  -0.041
  206    HD1  TYR  23           2HD      TYR  23   4.072  -6.920  -3.751
  207    HD2  TYR  23           1HD      TYR  23   1.938  -8.503  -0.381
  208    HE1  TYR  23           2HE      TYR  23   2.959  -8.570  -5.233
  209    HE2  TYR  23           1HE      TYR  23   0.827 -10.156  -1.858
  210    HH   TYR  23           HH       TYR  23   0.323 -10.555  -4.113
  211    H    ARG  24           H        ARG  24   5.065  -4.162   0.060
  212    HA   ARG  24           HA       ARG  24   3.474  -3.647   2.391
  213    HB2  ARG  24           2HB      ARG  24   6.236  -2.655   1.638
  214    HB3  ARG  24           1HB      ARG  24   5.500  -2.514   3.235
  215    HG2  ARG  24           2HG      ARG  24   6.410  -4.532   3.685
  216    HG3  ARG  24           1HG      ARG  24   5.184  -5.206   2.609
  217    HD2  ARG  24           2HD      ARG  24   7.519  -5.894   2.007
  218    HD3  ARG  24           1HD      ARG  24   6.679  -5.047   0.711
  219    HE   ARG  24           HE       ARG  24   8.005  -3.059   2.044
  220   HH11  ARG  24          1HH2      ARG  24   8.877  -6.106   0.652
  221   HH12  ARG  24          2HH2      ARG  24  10.477  -5.605   0.217
  222   HH21  ARG  24          1HH1      ARG  24  10.099  -2.396   1.472
  223   HH22  ARG  24          2HH1      ARG  24  11.166  -3.502   0.676
  224    H    LEU  25           H        LEU  25   3.162  -2.270  -0.460
  225    HA   LEU  25           HA       LEU  25   2.080   0.175   0.613
  226    HB2  LEU  25           2HB      LEU  25   3.480   1.617  -0.956
  227    HB3  LEU  25           1HB      LEU  25   4.300   1.008   0.481
  228    HG   LEU  25           HG       LEU  25   4.933  -1.010  -1.099
  229   HD11  LEU  25          1HD1      LEU  25   4.199   1.228  -2.993
  230   HD12  LEU  25          2HD1      LEU  25   3.690  -0.460  -3.050
  231   HD13  LEU  25          3HD1      LEU  25   5.355  -0.027  -3.436
  232   HD21  LEU  25          31HD      LEU  25   6.745   0.190  -0.271
  233   HD22  LEU  25          1HD2      LEU  25   6.135   1.729  -0.878
  234   HD23  LEU  25          2HD2      LEU  25   6.868   0.572  -1.989
  235    H    SER  26           H        SER  26   1.234  -2.180  -0.957
  236    HA   SER  26           HA       SER  26  -0.273  -0.752  -2.959
  237    HB2  SER  26           2HB      SER  26   1.992  -2.541  -3.723
  238    HB3  SER  26           1HB      SER  26   0.533  -2.557  -4.710
  239    HG   SER  26           HG       SER  26   2.218  -0.962  -5.261
  240    H    PHE  27           H        PHE  27   0.779  -4.131  -2.352
  241    HA   PHE  27           HA       PHE  27  -1.958  -5.050  -2.680
  242    HB2  PHE  27           2HB      PHE  27   0.625  -6.472  -2.040
  243    HB3  PHE  27           1HB      PHE  27  -0.919  -7.292  -2.004
  244    HD1  PHE  27           1HD      PHE  27   0.568  -4.712  -4.288
  245    HD2  PHE  27           2HD      PHE  27  -1.202  -8.602  -3.913
  246    HE1  PHE  27           1HE      PHE  27   0.672  -4.990  -6.739
  247    HE2  PHE  27           2HE      PHE  27  -1.104  -8.881  -6.372
  248    HZ   PHE  27           HZ       PHE  27  -0.166  -7.076  -7.789
  249    H    CYS  28           H        CYS  28   0.427  -4.833  -0.062
  250    HA   CYS  28           HA       CYS  28  -1.767  -5.234   1.873
  251    HB2  CYS  28           2HB      CYS  28   1.112  -5.470   2.652
  252    HB3  CYS  28           1HB      CYS  28  -0.299  -6.283   3.327
  253    H    ARG  29           H        ARG  29  -1.747  -2.771   0.900
  254    HA   ARG  29           HA       ARG  29   0.034  -0.975   2.240
  255    HB2  ARG  29           2HB      ARG  29  -2.179   0.539   1.537
  256    HB3  ARG  29           1HB      ARG  29  -0.742   0.289   0.554
  257    HG2  ARG  29           2HG      ARG  29  -2.707  -0.254  -0.769
  258    HG3  ARG  29           1HG      ARG  29  -1.823  -1.739  -0.441
  259    HD2  ARG  29           2HD      ARG  29  -4.509  -1.372   0.032
  260    HD3  ARG  29           1HD      ARG  29  -3.514  -2.595   0.816
  261    HE   ARG  29           HE       ARG  29  -3.500  -1.285   2.765
  262   HH11  ARG  29          1HH2      ARG  29  -5.017   0.313   0.095
  263   HH12  ARG  29          2HH2      ARG  29  -5.605   1.637   1.046
  264   HH21  ARG  29          1HH1      ARG  29  -4.230   0.468   4.006
  265   HH22  ARG  29          2HH1      ARG  29  -5.158   1.724   3.262
  266    H    LYS  30           H        LYS  30  -1.268  -2.834   3.998
  267    HA   LYS  30           HA       LYS  30  -1.987  -1.101   6.121
  268    HB2  LYS  30           2HB      LYS  30  -4.370  -1.943   6.352
  269    HB3  LYS  30           1HB      LYS  30  -4.097  -0.780   5.058
  270    HG2  LYS  30           2HG      LYS  30  -5.025  -2.290   3.661
  271    HG3  LYS  30           1HG      LYS  30  -3.560  -3.247   3.873
  272    HD2  LYS  30           2HD      LYS  30  -4.539  -4.464   5.719
  273    HD3  LYS  30           1HD      LYS  30  -5.955  -3.412   5.718
  274    HE2  LYS  30           2HE      LYS  30  -6.360  -5.597   4.570
  275    HE3  LYS  30           1HE      LYS  30  -6.604  -4.203   3.518
  276    HZ1  LYS  30           3HZ      LYS  30  -3.904  -4.972   3.416
  277    HZ2  LYS  30           1HZ      LYS  30  -5.048  -4.963   2.164
  278    HZ3  LYS  30           2HZ      LYS  30  -4.868  -6.344   3.138
  279    H    THR  31           H        THR  31  -2.579  -4.315   4.770
  280    HA   THR  31           HA       THR  31  -2.835  -5.807   7.077
  281    HB   THR  31           HB       THR  31  -1.207  -7.288   5.256
  282    HG1  THR  31           1HG      THR  31  -2.749  -5.289   4.155
  283   HG21  THR  31          31HG      THR  31  -3.102  -8.135   6.615
  284   HG22  THR  31          1HG2      THR  31  -3.297  -8.519   4.905
  285   HG23  THR  31          2HG2      THR  31  -4.215  -7.194   5.622
  286    H    CYS  32           H        CYS  32   0.034  -4.404   5.657
  287    HA   CYS  32           HA       CYS  32   1.725  -5.694   7.695
  288    HB2  CYS  32           2HB      CYS  32   2.284  -4.388   5.048
  289    HB3  CYS  32           1HB      CYS  32   3.566  -4.546   6.251
  290    H    GLY  33           H        GLY  33  -0.211  -3.339   7.932
  291    HA2  GLY  33           2HA      GLY  33  -0.306  -1.313   9.019
  292    HA3  GLY  33           1HA      GLY  33   1.120  -1.875   9.888
  293    H    THR  34           H        THR  34   0.847  -1.306   6.419
  294    HA   THR  34           HA       THR  34   3.131   0.517   6.576
  295    HB   THR  34           HB       THR  34   3.563  -0.865   4.802
  296    HG1  THR  34           1HG      THR  34   3.535   1.022   3.743
  297   HG21  THR  34          31HG      THR  34   0.568  -0.983   4.368
  298   HG22  THR  34          1HG2      THR  34   1.604  -2.260   5.011
  299   HG23  THR  34          2HG2      THR  34   1.749  -1.776   3.324
  300    H    CYS  35           H        CYS  35  -0.140   0.493   5.137
  301    HA   CYS  35           HA       CYS  35  -0.188   3.428   5.467
  302    HB2  CYS  35           2HB      CYS  35   0.177   3.070   3.123
  303    HB3  CYS  35           1HB      CYS  35  -1.081   1.837   3.058
  304    HN1  NH2  36           H2       NH2  36  -3.174   2.765   7.206
  305    HN2  NH2  36           H1       NH2  36  -1.594   3.381   7.280
  Start of MODEL   20
    1    HA   PFX   0           HA       PFX   0   6.187  12.266 -10.239
    2    H1N  PFX   0           H1N      PFX   0   3.588  12.505  -8.827
    3    H2N  PFX   0           H2N      PFX   0   3.992  11.342  -9.999
    4    H3N  PFX   0           H3N      PFX   0   3.873  12.981 -10.429
    5    H1B  PFX   0           1HB      PFX   0   5.154  14.240  -8.181
    6    H2B  PFX   0           2HB      PFX   0   5.687  14.601  -9.824
    7    HD1  PFX   0           HD1      PFX   0   6.673  14.688  -6.481
    8    HD2  PFX   0           HD2      PFX   0   8.143  13.585 -10.358
    9    HE1  PFX   0           HE1      PFX   0   8.999  14.950  -5.672
   10    HE2  PFX   0           HE2      PFX   0  10.469  13.843  -9.551
   11    HNH  PFX   0           HNH      PFX   0   4.093  11.518  -7.574
   12    H11  PFX   0          1HNH      PFX   0   6.232  10.004  -6.242
   13    H21  PFX   0          2HNH      PFX   0   4.504   9.831  -5.946
   14    H12  PFX   0           1H2      PFX   0   4.676  12.298  -5.081
   15    H22  PFX   0           2H2      PFX   0   6.395  11.936  -4.934
   16    H14  PFX   0           1H4      PFX   0   3.797  12.242  -3.071
   17    H24  PFX   0           2H4      PFX   0   3.802  10.758  -2.117
   18    H15  PFX   0           1H5      PFX   0   2.854  10.943  -4.992
   19    H25  PFX   0           2H5      PFX   0   1.787  10.966  -3.590
   20    H17  PFX   0           1H7      PFX   0   2.095   7.694  -5.269
   21    H27  PFX   0           2H7      PFX   0   1.415   9.300  -5.527
   22    H    ARG   1           H        ARG   1  -0.104   6.992  -5.398
   23    HA   ARG   1           HA       ARG   1  -1.504   7.025  -2.842
   24    HB2  ARG   1           2HB      ARG   1  -1.859   5.580  -5.446
   25    HB3  ARG   1           1HB      ARG   1  -2.649   4.973  -3.990
   26    HG2  ARG   1           2HG      ARG   1  -3.590   7.284  -3.632
   27    HG3  ARG   1           1HG      ARG   1  -2.954   7.726  -5.217
   28    HD2  ARG   1           2HD      ARG   1  -5.081   5.691  -4.556
   29    HD3  ARG   1           1HD      ARG   1  -5.204   7.087  -5.623
   30    HE   ARG   1           HE       ARG   1  -4.184   4.489  -6.317
   31   HH11  ARG   1          1HH2      ARG   1  -3.966   7.893  -6.927
   32   HH12  ARG   1          2HH2      ARG   1  -3.387   7.702  -8.549
   33   HH21  ARG   1          1HH1      ARG   1  -3.430   4.236  -8.439
   34   HH22  ARG   1          2HH1      ARG   1  -3.081   5.631  -9.404
   35    H    SER   2           H        SER   2  -1.740   5.098  -1.546
   36    HA   SER   2           HA       SER   2  -0.210   2.765  -1.824
   37    HB2  SER   2           2HB      SER   2   1.592   3.171  -0.201
   38    HB3  SER   2           1HB      SER   2   1.728   4.269  -1.571
   39    HG   SER   2           HG       SER   2   0.838   4.768   1.058
   40    H    CYS   3           H        CYS   3  -2.781   3.237  -1.062
   41    HA   CYS   3           HA       CYS   3  -2.803   2.141   1.648
   42    HB2  CYS   3           2HB      CYS   3  -3.231   4.848   1.309
   43    HB3  CYS   3           1HB      CYS   3  -4.866   4.193   1.313
   44    H    ILE   4           H        ILE   4  -3.463   1.358  -1.213
   45    HA   ILE   4           HA       ILE   4  -6.137   0.281  -0.617
   46    HB   ILE   4           HB       ILE   4  -5.807   0.843  -3.453
   47   HG12  ILE   4          2HG1      ILE   4  -4.534   2.794  -2.400
   48   HG13  ILE   4          1HG1      ILE   4  -5.911   3.234  -3.406
   49   HG21  ILE   4          1HG2      ILE   4  -8.049   1.977  -2.980
   50   HG22  ILE   4          2HG2      ILE   4  -7.847   1.456  -1.308
   51   HG23  ILE   4          31HG      ILE   4  -7.952   0.258  -2.597
   52   HD11  ILE   4          3HD1      ILE   4  -6.718   2.770  -0.648
   53   HD12  ILE   4          1HD1      ILE   4  -6.994   4.178  -1.672
   54   HD13  ILE   4          2HD1      ILE   4  -5.490   4.029  -0.768
   55    H    ASP   5           H        ASP   5  -6.488  -1.782  -1.318
   56    HA   ASP   5           HA       ASP   5  -4.190  -3.126  -2.613
   57    HB2  ASP   5           2HB      ASP   5  -5.190  -5.203  -1.501
   58    HB3  ASP   5           1HB      ASP   5  -4.420  -4.029  -0.437
   59    H    THR   6           H        THR   6  -4.784  -5.071  -3.907
   60    HA   THR   6           HA       THR   6  -7.470  -4.934  -5.100
   61    HB   THR   6           HB       THR   6  -6.290  -3.599  -6.650
   62    HG1  THR   6           1HG      THR   6  -6.236  -4.916  -8.451
   63   HG21  THR   6          31HG      THR   6  -4.040  -5.453  -5.997
   64   HG22  THR   6          1HG2      THR   6  -4.040  -3.696  -6.140
   65   HG23  THR   6          2HG2      THR   6  -4.058  -4.699  -7.591
   66    H    ILE   7           H        ILE   7  -5.361  -6.776  -3.540
   67    HA   ILE   7           HA       ILE   7  -6.265  -9.225  -4.908
   68    HB   ILE   7           HB       ILE   7  -3.998 -10.230  -4.472
   69   HG12  ILE   7          2HG1      ILE   7  -2.349  -8.019  -4.469
   70   HG13  ILE   7          1HG1      ILE   7  -3.620  -7.545  -3.344
   71   HG21  ILE   7          1HG2      ILE   7  -3.045  -9.366  -6.470
   72   HG22  ILE   7          2HG2      ILE   7  -3.814  -7.796  -6.247
   73   HG23  ILE   7          31HG      ILE   7  -4.787  -9.200  -6.685
   74   HD11  ILE   7          3HD1      ILE   7  -1.612  -9.740  -3.123
   75   HD12  ILE   7          1HD1      ILE   7  -3.216 -10.047  -2.456
   76   HD13  ILE   7          2HD1      ILE   7  -2.264  -8.686  -1.870
   77    HA   PRO   8           HA       PRO   8  -7.504 -10.640  -0.953
   78    HB2  PRO   8           2HB      PRO   8  -6.436 -13.253  -1.106
   79    HB3  PRO   8           1HB      PRO   8  -8.061 -12.744  -1.592
   80    HG2  PRO   8           2HG      PRO   8  -5.666 -13.238  -3.242
   81    HG3  PRO   8           1HG      PRO   8  -7.382 -13.401  -3.652
   82    HD2  PRO   8           2HD      PRO   8  -5.856 -11.351  -4.578
   83    HD3  PRO   8           1HD      PRO   8  -7.593 -11.168  -4.245
   84    H    LYS   9           H        LYS   9  -6.708 -10.768   1.108
   85    HA   LYS   9           HA       LYS   9  -3.997 -10.057   1.570
   86    HB2  LYS   9           2HB      LYS   9  -5.786  -9.349   3.064
   87    HB3  LYS   9           1HB      LYS   9  -6.152 -11.024   3.466
   88    HG2  LYS   9           2HG      LYS   9  -3.381  -9.921   3.884
   89    HG3  LYS   9           1HG      LYS   9  -4.643  -9.646   5.083
   90    HD2  LYS   9           2HD      LYS   9  -4.764 -12.400   4.374
   91    HD3  LYS   9           1HD      LYS   9  -3.067 -12.018   4.641
   92    HE2  LYS   9           2HE      LYS   9  -4.110 -10.766   6.788
   93    HE3  LYS   9           1HE      LYS   9  -5.333 -12.020   6.572
   94    HZ1  LYS   9           3HZ      LYS   9  -2.654 -12.243   7.522
   95    HZ2  LYS   9           1HZ      LYS   9  -2.943 -13.302   6.229
   96    HZ3  LYS   9           2HZ      LYS   9  -3.928 -13.364   7.613
   97    H    SER  10           H        SER  10  -5.695 -13.080   1.390
   98    HA   SER  10           HA       SER  10  -4.160 -14.811   2.884
   99    HB2  SER  10           2HB      SER  10  -4.764 -16.540   1.199
  100    HB3  SER  10           1HB      SER  10  -6.138 -15.559   1.700
  101    HG   SER  10           HG       SER  10  -5.105 -14.262  -0.284
  102    H    ARG  11           H        ARG  11  -3.474 -13.572  -0.371
  103    HA   ARG  11           HA       ARG  11  -1.050 -15.083  -0.654
  104    HB2  ARG  11           2HB      ARG  11  -2.697 -13.336  -2.276
  105    HB3  ARG  11           1HB      ARG  11  -0.990 -12.927  -2.443
  106    HG2  ARG  11           2HG      ARG  11  -1.499 -14.620  -4.084
  107    HG3  ARG  11           1HG      ARG  11  -0.525 -15.371  -2.821
  108    HD2  ARG  11           2HD      ARG  11  -3.156 -15.646  -1.921
  109    HD3  ARG  11           1HD      ARG  11  -3.248 -15.978  -3.648
  110    HE   ARG  11           HE       ARG  11  -2.279 -17.775  -1.769
  111   HH11  ARG  11          1HH2      ARG  11  -1.169 -16.212  -4.652
  112   HH12  ARG  11          2HH2      ARG  11  -0.125 -17.511  -5.121
  113   HH21  ARG  11          1HH1      ARG  11  -0.910 -19.485  -2.379
  114   HH22  ARG  11          2HH1      ARG  11   0.022 -19.364  -3.834
  115    H    CYS  12           H        CYS  12  -1.760 -12.660   1.388
  116    HA   CYS  12           HA       CYS  12   0.783 -11.236   1.023
  117    HB2  CYS  12           2HB      CYS  12  -1.330  -9.914   1.277
  118    HB3  CYS  12           1HB      CYS  12  -1.480 -10.562   2.912
  119    H    THR  13           H        THR  13   2.277 -12.656   1.874
  120    HA   THR  13           HA       THR  13   1.895 -13.457   4.692
  121    HB   THR  13           HB       THR  13   3.226 -15.319   4.300
  122    HG1  THR  13           1HG      THR  13   4.296 -14.876   1.904
  123   HG21  THR  13          31HG      THR  13   2.311 -16.405   2.423
  124   HG22  THR  13          1HG2      THR  13   2.255 -14.917   1.478
  125   HG23  THR  13          2HG2      THR  13   1.115 -15.165   2.801
  126    H    ALA  14           H        ALA  14   3.572 -13.106   6.193
  127    HA   ALA  14           HA       ALA  14   4.882 -10.661   6.094
  128    HB1  ALA  14           1HB      ALA  14   6.378 -11.659   7.900
  129    HB2  ALA  14           2HB      ALA  14   5.487 -13.165   7.671
  130    HB3  ALA  14           3HB      ALA  14   4.643 -11.715   8.215
  131    H    PHE  15           H        PHE  15   5.483 -13.279   4.183
  132    HA   PHE  15           HA       PHE  15   8.371 -12.818   3.957
  133    HB2  PHE  15           2HB      PHE  15   8.377 -15.033   3.593
  134    HB3  PHE  15           1HB      PHE  15   6.617 -15.069   3.550
  135    HD1  PHE  15           1HD      PHE  15   9.367 -13.737   1.365
  136    HD2  PHE  15           2HD      PHE  15   5.720 -15.988   1.612
  137    HE1  PHE  15           1HE      PHE  15   9.444 -14.121  -1.082
  138    HE2  PHE  15           2HE      PHE  15   5.795 -16.375  -0.837
  139    HZ   PHE  15           HZ       PHE  15   7.658 -15.442  -2.183
  140    H    GLN  16           H        GLN  16   5.368 -12.586   2.098
  141    HA   GLN  16           HA       GLN  16   6.622 -11.691  -0.316
  142    HB2  GLN  16           2HB      GLN  16   3.785 -11.670   0.708
  143    HB3  GLN  16           1HB      GLN  16   4.222 -10.937  -0.835
  144    HG2  GLN  16           2HG      GLN  16   4.955 -13.783  -0.125
  145    HG3  GLN  16           1HG      GLN  16   3.449 -13.367  -0.941
  146   HE21  GLN  16          1HE2      GLN  16   3.591 -12.511  -3.146
  147   HE22  GLN  16          2HE2      GLN  16   5.017 -12.669  -4.054
  148    H    CYS  17           H        CYS  17   5.312 -10.143   2.544
  149    HA   CYS  17           HA       CYS  17   5.354  -7.473   1.484
  150    HB2  CYS  17           2HB      CYS  17   3.859  -7.772   3.266
  151    HB3  CYS  17           1HB      CYS  17   5.029  -8.677   4.225
  152    H    LYS  18           H        LYS  18   7.818  -9.531   2.063
  153    HA   LYS  18           HA       LYS  18   9.650  -7.354   2.875
  154    HB2  LYS  18           2HB      LYS  18   9.714 -10.302   3.515
  155    HB3  LYS  18           1HB      LYS  18  11.128  -9.263   3.690
  156    HG2  LYS  18           2HG      LYS  18   9.744  -7.747   5.147
  157    HG3  LYS  18           1HG      LYS  18   8.459  -8.954   5.086
  158    HD2  LYS  18           2HD      LYS  18   9.607  -9.510   7.063
  159    HD3  LYS  18           1HD      LYS  18  10.298 -10.619   5.878
  160    HE2  LYS  18           2HE      LYS  18  11.913  -8.431   5.568
  161    HE3  LYS  18           1HE      LYS  18  11.557  -8.355   7.294
  162    HZ1  LYS  18           3HZ      LYS  18  13.367 -10.018   6.028
  163    HZ2  LYS  18           1HZ      LYS  18  12.087 -11.021   6.511
  164    HZ3  LYS  18           2HZ      LYS  18  12.893 -10.065   7.659
  165    H    HIS  19           H        HIS  19   9.166 -10.212   0.865
  166    HA   HIS  19           HA       HIS  19  11.657  -9.804  -0.574
  167    HB2  HIS  19           2HB      HIS  19   9.367 -11.728  -1.026
  168    HB3  HIS  19           1HB      HIS  19  10.902 -11.753  -1.894
  169    HD1  HIS  19           1HD      HIS  19  10.257 -11.280   1.836
  170    HD2  HIS  19           2HD      HIS  19  12.247 -13.883  -0.743
  171    HE1  HIS  19           1HE      HIS  19  11.499 -12.930   3.301
  172    HE2  HIS  19           2HE      HIS  19  12.718 -14.523   1.744
  173    H    SER  20           H        SER  20   8.498  -8.597  -0.733
  174    HA   SER  20           HA       SER  20   8.886  -7.807  -3.556
  175    HB2  SER  20           2HB      SER  20   6.254  -8.068  -2.100
  176    HB3  SER  20           1HB      SER  20   6.495  -7.768  -3.818
  177    HG   SER  20           HG       SER  20   7.472 -10.057  -2.454
  178    H    NLE  21           H        NLE  21   8.327  -5.682  -4.139
  179    HA   NLE  21           HA       NLE  21   8.346  -3.793  -1.876
  180    HB2  NLE  21           1HB      NLE  21   8.787  -2.505  -4.401
  181    HB3  NLE  21           2HB      NLE  21   9.846  -3.909  -4.283
  182    HG2  NLE  21           1HG      NLE  21   9.559  -1.817  -2.107
  183    HG3  NLE  21           2HG      NLE  21  10.840  -1.805  -3.319
  184    HD2  NLE  21           1HD      NLE  21  10.624  -4.427  -2.109
  185    HD3  NLE  21           2HD      NLE  21  10.829  -3.195  -0.864
  186    HE1  NLE  21           3HE      NLE  21  12.984  -4.157  -1.845
  187    HE2  NLE  21           1HE      NLE  21  12.854  -2.398  -1.860
  188    HE3  NLE  21           2HE      NLE  21  12.568  -3.316  -3.339
  189    H    LYS  22           H        LYS  22   6.449  -4.966  -4.490
  190    HA   LYS  22           HA       LYS  22   4.670  -2.640  -4.384
  191    HB2  LYS  22           2HB      LYS  22   3.622  -4.725  -6.048
  192    HB3  LYS  22           1HB      LYS  22   4.192  -3.127  -6.516
  193    HG2  LYS  22           2HG      LYS  22   5.655  -4.440  -7.732
  194    HG3  LYS  22           1HG      LYS  22   6.584  -4.286  -6.243
  195    HD2  LYS  22           2HD      LYS  22   5.349  -6.415  -5.472
  196    HD3  LYS  22           1HD      LYS  22   4.883  -6.606  -7.161
  197    HE2  LYS  22           2HE      LYS  22   7.654  -6.629  -5.965
  198    HE3  LYS  22           1HE      LYS  22   6.883  -7.857  -6.970
  199    HZ1  LYS  22           3HZ      LYS  22   8.578  -6.322  -8.059
  200    HZ2  LYS  22           1HZ      LYS  22   7.376  -5.129  -7.986
  201    HZ3  LYS  22           2HZ      LYS  22   7.101  -6.556  -8.866
  202    H    TYR  23           H        TYR  23   4.948  -4.184  -2.056
  203    HA   TYR  23           HA       TYR  23   2.251  -5.398  -1.833
  204    HB2  TYR  23           2HB      TYR  23   4.900  -6.283  -0.713
  205    HB3  TYR  23           1HB      TYR  23   3.401  -6.697   0.115
  206    HD1  TYR  23           2HD      TYR  23   4.684  -6.611  -3.411
  207    HD2  TYR  23           1HD      TYR  23   2.488  -8.764  -0.417
  208    HE1  TYR  23           2HE      TYR  23   4.321  -8.466  -5.015
  209    HE2  TYR  23           1HE      TYR  23   2.124 -10.622  -2.021
  210    HH   TYR  23           HH       TYR  23   3.679 -10.638  -5.189
  211    H    ARG  24           H        ARG  24   4.907  -3.823  -0.063
  212    HA   ARG  24           HA       ARG  24   3.389  -3.165   2.247
  213    HB2  ARG  24           2HB      ARG  24   5.918  -1.940   1.128
  214    HB3  ARG  24           1HB      ARG  24   5.259  -1.589   2.724
  215    HG2  ARG  24           2HG      ARG  24   5.337  -4.106   3.151
  216    HG3  ARG  24           1HG      ARG  24   6.317  -4.222   1.690
  217    HD2  ARG  24           2HD      ARG  24   6.953  -2.713   4.231
  218    HD3  ARG  24           1HD      ARG  24   7.863  -4.033   3.503
  219    HE   ARG  24           HE       ARG  24   8.089  -1.262   2.841
  220   HH11  ARG  24          1HH2      ARG  24   8.113  -4.462   1.530
  221   HH12  ARG  24          2HH2      ARG  24   9.162  -4.065   0.212
  222   HH21  ARG  24          1HH1      ARG  24   9.473  -0.732   1.116
  223   HH22  ARG  24          2HH1      ARG  24   9.939  -1.955  -0.019
  224    H    LEU  25           H        LEU  25   3.636  -1.675  -0.889
  225    HA   LEU  25           HA       LEU  25   1.919   0.522   0.087
  226    HB2  LEU  25           2HB      LEU  25   3.188   2.000  -1.568
  227    HB3  LEU  25           1HB      LEU  25   4.021   1.583  -0.071
  228    HG   LEU  25           HG       LEU  25   4.382  -0.323  -2.311
  229   HD11  LEU  25          1HD1      LEU  25   5.321   2.539  -2.397
  230   HD12  LEU  25          2HD1      LEU  25   4.632   1.562  -3.696
  231   HD13  LEU  25          3HD1      LEU  25   6.280   1.259  -3.142
  232   HD21  LEU  25          31HD      LEU  25   6.379  -0.733  -1.239
  233   HD22  LEU  25          1HD2      LEU  25   5.488  -0.051   0.121
  234   HD23  LEU  25          2HD2      LEU  25   6.606   0.958  -0.793
  235    H    SER  26           H        SER  26   1.093  -1.851  -1.277
  236    HA   SER  26           HA       SER  26  -0.295  -0.631  -3.491
  237    HB2  SER  26           2HB      SER  26   1.276  -3.088  -4.156
  238    HB3  SER  26           1HB      SER  26   0.582  -1.887  -5.227
  239    HG   SER  26           HG       SER  26   3.024  -1.969  -4.099
  240    H    PHE  27           H        PHE  27   0.648  -3.939  -2.650
  241    HA   PHE  27           HA       PHE  27  -2.173  -4.731  -2.650
  242    HB2  PHE  27           2HB      PHE  27   0.179  -6.565  -2.238
  243    HB3  PHE  27           1HB      PHE  27  -1.415  -6.947  -2.864
  244    HD1  PHE  27           1HD      PHE  27  -1.628  -4.460  -4.707
  245    HD2  PHE  27           2HD      PHE  27   1.447  -7.403  -4.112
  246    HE1  PHE  27           1HE      PHE  27  -0.807  -4.069  -7.010
  247    HE2  PHE  27           2HE      PHE  27   2.265  -7.008  -6.418
  248    HZ   PHE  27           HZ       PHE  27   1.140  -5.341  -7.866
  249    H    CYS  28           H        CYS  28   0.687  -5.138  -0.557
  250    HA   CYS  28           HA       CYS  28  -1.095  -5.674   1.712
  251    HB2  CYS  28           2HB      CYS  28   1.923  -5.828   1.483
  252    HB3  CYS  28           1HB      CYS  28   0.983  -6.276   2.904
  253    H    ARG  29           H        ARG  29  -1.433  -3.142   0.905
  254    HA   ARG  29           HA       ARG  29   0.379  -1.341   2.234
  255    HB2  ARG  29           2HB      ARG  29  -1.869   0.147   1.711
  256    HB3  ARG  29           1HB      ARG  29  -0.502  -0.045   0.621
  257    HG2  ARG  29           2HG      ARG  29  -2.551  -0.533  -0.589
  258    HG3  ARG  29           1HG      ARG  29  -1.648  -2.031  -0.390
  259    HD2  ARG  29           2HD      ARG  29  -4.260  -1.844   0.194
  260    HD3  ARG  29           1HD      ARG  29  -3.182  -2.918   1.073
  261    HE   ARG  29           HE       ARG  29  -2.975  -1.037   2.728
  262   HH11  ARG  29          1HH2      ARG  29  -5.726  -1.267   0.621
  263   HH12  ARG  29          2HH2      ARG  29  -6.771  -0.405   1.696
  264   HH21  ARG  29          1HH1      ARG  29  -4.343   0.074   4.117
  265   HH22  ARG  29          2HH1      ARG  29  -5.994   0.349   3.669
  266    H    LYS  30           H        LYS  30  -1.314  -3.469   3.703
  267    HA   LYS  30           HA       LYS  30  -2.069  -1.696   5.912
  268    HB2  LYS  30           2HB      LYS  30  -4.279  -2.809   6.129
  269    HB3  LYS  30           1HB      LYS  30  -4.136  -1.888   4.632
  270    HG2  LYS  30           2HG      LYS  30  -3.341  -4.100   3.568
  271    HG3  LYS  30           1HG      LYS  30  -3.983  -4.878   5.015
  272    HD2  LYS  30           2HD      LYS  30  -6.109  -3.370   4.429
  273    HD3  LYS  30           1HD      LYS  30  -5.437  -3.495   2.802
  274    HE2  LYS  30           2HE      LYS  30  -6.180  -5.787   4.641
  275    HE3  LYS  30           1HE      LYS  30  -6.974  -5.343   3.130
  276    HZ1  LYS  30           3HZ      LYS  30  -5.424  -6.380   1.938
  277    HZ2  LYS  30           1HZ      LYS  30  -4.954  -7.132   3.384
  278    HZ3  LYS  30           2HZ      LYS  30  -4.146  -5.735   2.852
  279    H    THR  31           H        THR  31  -2.032  -5.031   4.727
  280    HA   THR  31           HA       THR  31  -2.137  -6.442   7.069
  281    HB   THR  31           HB       THR  31  -0.832  -6.901   4.431
  282    HG1  THR  31           1HG      THR  31  -2.598  -7.991   4.277
  283   HG21  THR  31          31HG      THR  31   0.894  -7.828   5.733
  284   HG22  THR  31          1HG2      THR  31  -0.157  -9.201   5.391
  285   HG23  THR  31          2HG2      THR  31  -0.226  -8.408   6.964
  286    H    CYS  32           H        CYS  32   0.859  -5.304   5.491
  287    HA   CYS  32           HA       CYS  32   2.493  -5.976   7.743
  288    HB2  CYS  32           2HB      CYS  32   2.876  -4.925   5.068
  289    HB3  CYS  32           1HB      CYS  32   3.850  -4.041   6.243
  290    H    GLY  33           H        GLY  33   0.101  -4.069   7.940
  291    HA2  GLY  33           2HA      GLY  33  -0.456  -2.113   9.034
  292    HA3  GLY  33           1HA      GLY  33   0.898  -2.529  10.083
  293    H    THR  34           H        THR  34   0.996  -1.705   6.640
  294    HA   THR  34           HA       THR  34   3.021   0.315   7.215
  295    HB   THR  34           HB       THR  34   3.389  -1.228   5.357
  296    HG1  THR  34           1HG      THR  34   4.307   0.726   5.025
  297   HG21  THR  34          31HG      THR  34   0.695  -1.011   4.925
  298   HG22  THR  34          1HG2      THR  34   1.844  -1.687   3.771
  299   HG23  THR  34          2HG2      THR  34   1.345   0.000   3.633
  300    H    CYS  35           H        CYS  35  -0.265   0.165   5.875
  301    HA   CYS  35           HA       CYS  35  -0.329   3.122   5.922
  302    HB2  CYS  35           2HB      CYS  35  -0.808   1.616   3.762
  303    HB3  CYS  35           1HB      CYS  35  -2.423   1.591   4.471
  304    HN1  NH2  36           H2       NH2  36  -3.700   2.995   7.435
  305    HN2  NH2  36           H1       NH2  36  -3.005   3.650   6.030