*HEADER    HORMONE                                 25-APR-18   6GE2              
*TITLE     EXENDIN-4 BASED DUAL GLP-1/GLUCAGON RECEPTOR AGONIST                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXENDIN-4;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELODERMA SUSPECTUM;                            
*SOURCE   4 ORGANISM_COMMON: GILA MONSTER;                                       
*SOURCE   5 ORGANISM_TAXID: 8554                                                 
*KEYWDS    HORMONE                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.EVERS,M.KURZ                                                        
*REVDAT   1   20-JUN-18 6GE2    0                                                
# Restraints file 1: peptide12_restraints.txt
ATOM1	ATOM2	LOWER	UPPER
ALA19.H	LYS20.H	2.5	3.06
ALA19.H	ARG18.QD	3.77	5.5
ALA19.H	LEU21.QD1	4.03	5.92
ALA19.H	ILE23.H	4.58	5.59
ALA19.H	ILE23.QG2	5.5	7.27
ALA19.H	ALA19.QC2	2.25	3.75
ALA19.H	LEU21.QD2	5.24	7.4
ALA19.H	PHE22.HB2	3.72	4.77
ALA19.H	PHE22.HB3	3.72	4.77
ALA19.H	GLN17.QC3	4.11	5.93
ALA19.HA	ILE23.H	3.3	4.03
ALA19.HA	PHE22.CG	3.33	6.07
AIB27.H	GLY29.H	3.66	4.47
AIB27.H	GLY30.H	4.51	5.51
AIB27.H	ALA28.H	2.67	3.26
AIB27.H	ILE23.QG2	3.4	5.15
AIB27.H	LEU26.QD1	3.7	5.52
AIB27.H	LEU26.QD2	3.71	5.53
AIB27.H	AIB27.QC3	2.22	3.72
AIB27.H	AIB27.QC2	2.58	4.15
AIB27.H	ILE23.QD1	4.62	6.65
ALA28.H	GLY29.H	2.46	3
ALA28.H	GLY30.H	3.34	4.08
ALA28.H	LEU26.QD2	4.82	6.89
ALA28.H	AIB27.QC2	3.02	4.69
ALA28.HA	GLY29.H	2.77	3.39
AIB34.H	AIB34.QC2	2.21	3.7
AIB34.H	AIB34.QC3	2.73	4.34
ARG18.H	ALA19.H	2.57	3.15
ARG18.H	GLN17.QC3	3.19	4.8
ARG18.H42	ALA19.H	2.66	3.35
ARG18.H43	ALA19.H	2.66	3.35
ARG18.HA	ALA19.H	2.83	3.46
ASP15.H	LYS14.QD	3.06	4.64
ASP15.H	LYS14.QG	3.48	5.15
ASP15.H	ASP15.H32	2.34	2.98
ASP15.H	ASP15.H33	2.34	2.98
ASP15.H	GLU16.H	2.7	3.3
ASP15.H32	GLU16.H	2.65	3.32
ASP15.H33	GLU16.H	2.65	3.32
ASP15.H33	ALA19.H	4.52	5.53
ASP15.HA	ALA19.H	3.41	4.17
ASP15.HA	ARG18.QD	2.87	4.4
ASP15.HA	LYS14.QG	4.33	6.2
ASP15.HA	ALA19.QC2	3.94	5.81
ASP15.HA	LYS14.QD	3.97	5.75
ASP15.HA	ARG18.H42	2.77	3.47
ASP9.H	LEU10.H	2.7	3.3
ASP9.H	GLN13.H	4.32	5.28
ASP9.H	LYS12.H	4.28	5.23
ASP9.H	ASP9.QB	2.29	3.44
ASP9.H	THR5.QG2	5.18	7.33
ASP9.H	THR7.QG2	4.12	6.04
ASP9.H	LEU10.QD2	4.2	6.58
ASP9.H	LEU10.QD1	4.2	6.58
ASP9.HA	LYS12.H	2.82	3.44
ASP9.HA	LYS12.QD	3	4.57
ASP9.HA	LYS12.QB	2.76	4.27
ASP9.HA	LYS12.HG2	3.26	4.3
ASP9.HA	LYS12.HG3	3.26	4.3
GLN13.H	LYS14.H	2.48	3.03
GLN13.H	ASP15.H	3.36	4.11
GLN13.H	GLN13.QB	2.16	3.54
GLN13.H	LEU10.QD2	4.21	6.54
GLN13.H	GLN13.HG3	2.71	3.63
GLN13.H	GLN13.HG2	2.71	3.63
GLN13.H	LYS12.QB	2.35	3.77
GLN17.H	ARG18.H	2.36	2.89
GLN17.H	ALA19.H	3.2	3.92
GLN17.HA	LYS20.H	2.94	3.6
GLN3.H	GLY4.H	3.11	3.8
GLN3.H	AIB2.QC2	3.02	4.72
GLN3.H	AIB2.QC3	3.02	4.72
GLN3.H	GLN3.QG	3.63	5.33
GLU1'.H	GLU2'.H	4.24	5.18
GLU1'.H	LYS14.QE	4.47	6.36
GLU1'.H	GLU2'.QG	2.29	3.7
GLU1'.H	GLU1'.QG	2.7	4.2
GLU16.H	GLN17.H	2.7	3.3
GLU16.HA	ALA19.H	2.83	3.46
GLU16.HA	LYS20.H	3.08	3.77
GLU16.HB3	LYS20.H	3.73	4.55
GLU2'.H	PALM.3'	3.13	4.72
GLU24.H	AIB27.H	3.92	4.79
GLU24.H	ALA28.H	4.81	5.87
GLU24.HA	AIB27.H	3	3.66
GLU24.HA	LEU26.H	3.56	4.35
GLU24.HA	ALA28.H	3.31	4.05
GLU24.HB2	LEU26.H	4.09	5.16
GLU24.HB3	LEU26.H	4.09	5.16
GLU24.HG3	ILE23.QG2	3.71	5.58
GLU24.HG3	AIB27.QC3	3.21	5.53
GLY29.H	GLY30.H	2.32	2.83
GLY29.H	ALA28.QC2	2.63	4.21
GLY29.H	LEU26.QD2	4.31	6.27
GLY29.H	AIB27.QC2	3.17	4.87
GLY29.H	PRO32.H43	4.04	4.94
GLY29.H	GLY30.HA3	3.57	4.37
GLY29.H	GLY30.HA2	3.6	4.4
GLY29.HA3	AIB27.QC2	4.11	6.02
GLY30.H	ALA28.QC2	2.9	4.55
GLY30.H	LEU26.QD2	3.8	5.64
GLY30.H	AIB27.QC2	3.66	5.47
GLY30.H	GLY30.HA2	2.48	3.03
GLY30.H	GLY30.HA3	2.44	2.98
GLY30.H	PRO32.H43	3.81	4.66
GLY30.HA2	LEU26.QD2	3.47	5.24
GLY30.HA2	PRO31.HD2	2.68	3.28
GLY30.HA2	SER33.H	4.3	5.26
GLY30.HA2	AIB34.H	5.4	6.6
GLY30.HA2	LEU26.QD1	4.62	6.65
GLY30.HA2	LYS35.H	4.14	5.06
GLY30.HA2	PRO32.H43	3.77	4.61
GLY30.HA3	LEU26.QD2	3.48	5.25
GLY30.HA3	PRO31.HD3	2.63	3.22
GLY30.HA3	PRO31.HD2	2.67	3.26
GLY30.HA3	SER33.H	4.66	5.69
GLY30.HA3	LEU26.QD1	4.3	6.26
GLY30.HA3	PRO32.H43	3.75	4.58
GLY4.H	THR5.H	3.07	3.75
HIS1.HD2	AIB2.QC3	4.42	6.4
ILE23.H	GLU24.H	2.31	2.82
ILE23.H	ILE23.QG2	2.84	4.47
ILE23.H	LEU26.QD1	3.98	5.86
ILE23.H	ILE23.QD1	2.92	4.57
ILE23.H	GLU24.HG3	4.1	5.39
ILE23.H	ALA19.QC2	3.39	5.15
ILE23.H	LEU26.QD2	4.73	6.78
ILE23.H	GLU24.HB2	3.87	4.74
ILE23.HA	AIB27.H	3.28	4.01
ILE23.HA	LEU26.H	2.76	3.37
ILE23.HA	LEU26.QD1	2.75	4.36
ILE23.HA	LEU26.QD2	3.29	5.02
ILE23.HA	LEU26.HG	2.96	3.62
ILE23.HA	ILE23.QD1	2.71	4.31
ILE23.HA	AIB27.QC3	3.6	5.4
ILE23.HA	LEU26.HB2	2.6	3.17
LEU10.H	GLN13.H	3.52	4.31
LEU10.H	LYS12.H	3.5	4.27
LEU10.H	ASP9.QB	2.56	4.03
LEU10.H	LEU10.QD1	3.28	5.11
LEU10.H	LEU10.QD2	3.28	5.11
LEU10.H	GLN13.QB	3.53	5.22
LEU10.HA	LYS12.H	3.17	3.88
LEU10.QD1	GLN13.QE2	4.95	7.44
LEU10.QD1	LYS14.QE	3.45	5.27
LEU10.QD2	GLN13.QE2	4.95	7.44
LEU10.QD2	LYS14.QE	3.45	5.27
LEU21.H	ILE23.H	3.48	4.25
LEU21.H	PHE22.H	2.53	3.09
LEU21.H	LEU21.HG	2.47	3.02
LEU21.H	LEU21.QD1	2.87	4.51
LEU21.H	LEU21.QD2	2.99	4.65
LEU21.HA	ILE23.H	3.77	4.61
LEU21.HA	LEU21.QD2	2.35	3.87
LEU21.HA	LEU21.QD1	2.73	4.34
LEU21.QD1	LYS39.QN1	5.33	7.42
LEU21.QD2	LYS39.QN1	5.77	7.95
LEU26.H	AIB27.H	2.69	3.29
LEU26.H	GLY29.H	4.18	5.11
LEU26.H	GLY30.H	3.93	4.81
LEU26.H	ALA28.H	3.66	4.47
LEU26.H	ILE23.QG2	3.63	5.43
LEU26.H	LEU26.HG	2.6	3.18
LEU26.H	LEU26.QD1	3.13	4.82
LEU26.H	LEU26.QD2	3.14	4.83
LEU26.H	AIB27.QC3	3.27	4.99
LEU26.H	AIB27.QC2	3.39	5.14
LEU26.H	ILE23.QD1	4.08	5.98
LEU26.H	ALA28.QC2	3.95	5.83
LEU26.H	GLY30.HA2	4.98	6.09
LEU26.HA	AIB27.H	3.1	3.79
LEU26.HA	GLY29.H	3.09	3.78
LEU26.HA	GLY30.H	2.7	3.3
LEU26.HA	ALA28.H	3.55	4.34
LEU26.HA	LEU26.QD2	2.46	4.01
LEU26.HA	LEU26.QD1	2.77	4.39
LEU26.HA	GLY30.HA2	2.98	3.64
LEU26.HA	GLY30.HA3	2.82	3.45
LEU26.HB3	GLY30.HA3	4.47	5.46
LYS12.H	LYS14.H	3.45	4.21
LYS12.H	GLN13.H	2.55	3.12
LYS12.H	ASP15.H	3.61	4.41
LYS12.H	THR7.QG2	5.11	7.24
LYS12.H	LYS12.QE	4.78	6.74
LYS12.H	LEU10.QD2	4.97	7.23
LYS12.H	LEU10.QD1	4.97	7.23
LYS12.H	GLN13.HG2	4.42	5.51
LYS12.H	GLN13.HG3	4.42	5.51
LYS12.H	LYS12.QD	3.37	5.02
LYS12.H	ASP9.QB	3.84	5.12
LYS12.H	LYS12.QB	2.12	3.49
LYS12.H	GLN13.QB	3.27	4.9
LYS12.H	ASP15.H32	4.14	5.06
LYS12.HA	ASP15.H	2.82	3.44
LYS14.ENH	GLU1'.QG	2.19	3.58
LYS14.ENH	LEU10.QD2	4.43	6.62
LYS14.ENH	LEU10.QD1	4.43	6.62
LYS14.ENH	ARG18.QD	4.85	6.83
LYS14.H	ASP15.H	2.7	3.3
LYS14.HA	LYS14.ENH	4.32	5.28
LYS14.QE	GLU1'.QG	3.32	5.86
LYS20.H	ALA19.QC2	2.35	3.87
LYS20.H	ILE23.QG2	4.11	6.02
LYS20.H	LYS20.QE	4	5.79
LYS20.H	GLN17.QC3	3.62	5.33
LYS20.HA	ILE23.H	2.8	3.42
LYS35.H	AIB34.QC2	2.53	4.09
LYS35.H	AIB34.QC3	2.87	4.51
LYS35.H	PRO36.HA	3.51	4.29
LYS35.H	LYS35.H42	2.51	3.41
LYS35.H	LYS35.H43	2.51	3.41
LYS35.H	PRO36.HD2	3.74	4.59
LYS35.H	PRO36.HD3	3.74	4.59
LYS35.HA	LYS35.QE	4.83	6.81
LYS35.HA	PRO36.HD2	2.25	2.86
LYS35.HA	PRO36.HD3	2.25	2.86
LYS39.H	PRO38.QG	3.11	4.7
LYS39.H	LYS39.H42	2.69	3.65
LYS39.H	LYS39.H43	2.69	3.65
PHE22.CG	ILE23.H	3.39	6.14
PHE22.CG	LEU26.H	4.08	6.99
PHE22.CG	TRP25.H4	3.02	5.69
PHE22.CG	TRP25.H5	3.42	6.18
PHE22.CG	LEU26.QD1	3.2	5.91
PHE22.CG	LEU26.QD2	3.51	6.29
PHE22.CG	ILE23.HA	3.35	6.09
PHE22.CG	ILE23.QD1	3.45	6.22
PHE22.CG	ILE23.QG2	3.95	6.83
PHE22.CG	LEU26.HB2	4.31	7.27
PHE22.HA	ILE23.H	3.04	3.71
PHE22.HA	LEU26.H	3.41	4.16
PHE22.HA	TRP25.H4	2.85	3.48
PHE22.HA	TRP25.H5	4.07	4.97
PHE22.HA	LEU26.QD2	4.44	6.43
PHE22.HB2	ILE23.H	2.61	3.35
PHE22.HB3	ILE23.H	2.61	3.35
PHE6.CG	PHE6.H	3.42	6.17
PHE6.CG	THR7.H	3.65	6.46
PHE6.CZ	LEU10.QD1	3.93	6.92
PHE6.CZ	LEU10.QD2	3.93	6.92
PHE6.H	THR7.H	3.03	3.7
PHE6.H	THR5.QG2	3.53	5.31
PHE6.H	AIB2.QC3	4.48	7.04
PHE6.H	AIB2.QC2	4.48	7.04
PHE6.H	THR7.QG2	4.04	4.94
PHE6.H	PHE6.HB3	2.61	3.26
PHE6.H	PHE6.HB2	2.61	3.26
PHE6.HA	ASP9.QB	2.98	4.55
PHE6.HA	THR5.QG2	4.11	6.02
PHE6.HA	LEU10.QD1	4.6	6.83
PHE6.HA	THR7.QG2	4.25	6.19
PHE6.HB2	THR7.H	2.95	3.93
PHE6.HB3	THR7.H	2.95	3.93
PRO31.HA	LYS35.H	3.6	4.39
PRO31.HD2	LEU26.QD2	3.28	5.01
PRO31.HD2	SER33.H	4.67	5.71
PRO31.HD3	LEU26.QD2	3.41	5.17
PRO31.HD3	PRO32.H43	3.12	3.81
PRO32.H42	SER33.H	3.49	4.26
PRO32.H42	AIB34.H	4.43	5.41
PRO32.H43	SER33.H	3.11	3.8
PRO32.H43	AIB34.H	4.29	5.24
PRO32.HA	AIB34.H	2.94	3.59
PRO38.HA	LYS39.QN1	5.07	7.09
PRO38.HA	LEU21.QD2	3.98	5.86
PRO38.HA	LEU21.QD1	3.82	5.67
PRO38.HB2	LYS39.H	3.01	3.85
PRO38.HB3	LYS39.H	3.01	3.85
SER11.H	LYS12.H	2.56	3.13
SER11.H	GLN13.H	3.33	4.07
SER11.H	LEU10.QD1	3.69	5.51
SER11.H	LEU10.QD2	3.69	5.51
SER11.H	SER11.HB2	2.47	3.13
SER11.H	SER11.HB3	2.47	3.13
SER11.HA	LYS14.ENH	3.24	3.96
SER11.HA	LYS12.H	2.77	3.39
SER11.HB2	LYS12.H	2.89	3.66
SER11.HB3	LYS12.H	2.89	3.66
SER33.H	SER33.HB2	2.78	3.56
SER33.H	SER33.HB3	2.78	3.56
SER33.H	LYS35.QC3	3.93	5.7
SER33.HA	AIB34.H	2.74	3.35
SER33.HB2	LYS35.H	3.43	4.41
SER33.HB2	AIB34.H	3.37	4.2
SER33.HB3	AIB34.H	3.37	4.2
SER33.HB3	LYS35.H	3.43	4.41
SER8.H	ASP9.H	2.99	3.65
SER8.H	THR7.QG2	3.25	4.98
SER8.HA	LYS12.H	3.51	4.29
SER8.HA	THR7.QG2	4.01	5.9
SER8.HB2	ASP9.H	2.72	3.89
SER8.HB3	ASP9.H	2.72	3.89
THR5.H	PHE6.H	2.87	3.51
THR5.H	THR5.QG2	3.12	4.81
THR5.H	GLY4.QA	2.52	3.98
THR5.HA	SER8.H	3.71	4.54
THR7.H	ASP9.H	4.13	5.05
THR7.H	SER8.H	2.92	3.56
THR7.H	THR7.QG2	2.85	4.48
THR7.H	LEU10.QD1	3.9	6.74
THR7.HA	LEU10.QD1	3.52	5.53
TRP25.H	AIB27.H	3.68	4.49
TRP25.H	LEU26.H	2.63	3.22
TRP25.H	ALA28.H	4.81	5.87
TRP25.H1	GLY30.H	4.21	5.15
TRP25.H1	LYS35.H	3.67	4.49
TRP25.H1	AIB34.H	4.63	5.66
TRP25.H1	LEU26.H	6.12	7.48
TRP25.H1	PRO36.HA	3.48	4.26
TRP25.H1	PRO31.HA	3.75	4.58
TRP25.H1	GLY30.HA2	3.44	4.23
TRP25.H1	PRO37.QD	3.32	4.95
TRP25.H1	GLY30.HA3	3.46	4.23
TRP25.H1	PRO31.HD3	4.36	5.33
TRP25.H1	AIB34.QC2	3.66	5.47
TRP25.H1	LEU26.QD2	4.96	7.06
TRP25.H1	LYS35.HA	4.45	5.57
TRP25.H1	PRO31.HD2	4.1	5.02
TRP25.H1	PRO31.HB3	4.13	5.05
TRP25.H1	LYS35.H43	3.18	4.15
TRP25.H1	LYS35.H42	3.18	4.15
TRP25.H1	ALA28.QC2	4.1	6.01
TRP25.H1	LEU21.QD2	4.86	6.94
TRP25.H1	LEU21.QD1	4.73	6.78
TRP25.H1	PRO37.HA	3.36	4.1
TRP25.H2	GLY30.H	3.86	4.71
TRP25.H2	LYS35.H	4.38	5.36
TRP25.H2	GLY29.H	5.11	6.24
TRP25.H2	AIB34.H	5.11	6.24
TRP25.H2	AIB27.H	5.99	7.32
TRP25.H2	LEU26.H	3.93	4.8
TRP25.H2	ALA28.H	4.36	5.33
TRP25.H4	AIB27.H	4.55	5.56
TRP25.H4	LEU26.H	3.02	3.7
TRP25.H4	GLY30.H	4.4	5.38
TRP25.H4	LEU26.QD2	3.04	4.72
TRP25.H4	LEU26.QD1	3.34	5.08
TRP25.H4	LEU26.HA	3.07	3.76
TRP25.H4	PRO31.HD3	4.1	5.01
TRP25.H4	GLY30.HA2	4.09	5
TRP25.H4	GLY30.HA3	4.36	5.33
TRP25.H4	PRO38.QG	3.99	5.78
TRP25.H4	LEU26.HG	2.89	3.53
TRP25.H4	LEU21.QD2	5.34	7.53
TRP25.H4	LEU21.QD1	4.97	7.08
TRP25.H4	LEU26.HB2	3.65	4.47
TRP25.H5	LEU26.H	4.2	5.14
TRP25.H5	LEU26.QD2	3.05	4.73
TRP25.H5	LEU26.QD1	3.39	5.14
TRP25.H5	PRO31.HD3	3.69	4.51
TRP25.H5	LEU26.HA	3.56	4.36
TRP25.H5	GLY30.HA2	4.13	5.05
TRP25.H5	GLY30.HA3	4.37	5.35
TRP25.HA	AIB27.H	3.83	4.68
TRP25.HA	LEU26.H	3.08	3.77
TRP25.HA	ALA28.H	3.04	3.71
TRP25.HA	ALA28.QC2	2.57	4.14
TRP25.HA	GLY29.H	3.71	4.54
TRP25.HA	GLY30.H	3.53	4.31
TRP25.HB3	AIB27.H	4.23	5.35
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           H1       HIS   1  -4.505  11.242   0.524
    2    H2   HIS   1           H2       HIS   1  -3.523   9.817   0.296
    3    H3   HIS   1           H3       HIS   1  -4.654  10.303  -0.924
    4    HA   HIS   1           HA       HIS   1  -5.570   8.415   0.315
    5    HB2  HIS   1           HB2      HIS   1  -4.308   8.766   2.434
    6    HB3  HIS   1           HB3      HIS   1  -5.209  10.263   2.743
    7    HD1  HIS   1           HD1      HIS   1  -6.377   6.708   1.942
    8    HD2  HIS   1           HD2      HIS   1  -6.820   9.787   4.767
    9    HE1  HIS   1           HE1      HIS   1  -8.052   5.846   3.610
   10    H    AIB   2           H        AIB   2  -7.969   8.307   0.731
   11   HB11  AIB   2           H31      AIB   2 -11.467   9.241   0.602
   12   HB12  AIB   2           H32      AIB   2 -10.385   7.972  -0.038
   13   HB13  AIB   2           H33      AIB   2 -10.336   8.397   1.694
   14   HB21  AIB   2           H21      AIB   2 -10.560  10.621  -1.292
   15   HB22  AIB   2           H22      AIB   2  -8.886  11.224  -1.285
   16   HB23  AIB   2           H23      AIB   2  -9.225   9.539  -1.773
   17    H    GLN   3           H        GLN   3  -8.851   9.908   2.924
   18    HA   GLN   3           HA       GLN   3  -9.277  11.332   4.691
   19    HB2  GLN   3           H42      GLN   3  -8.920  13.584   2.628
   20    HB3  GLN   3           H43      GLN   3  -8.863  13.754   4.395
   21    HG2  GLN   3           H32      GLN   3  -6.829  12.281   4.496
   22    HG3  GLN   3           H33      GLN   3  -6.875  12.110   2.728
   23   HE21  GLN   3           H61      GLN   3  -5.664  15.701   4.432
   24   HE22  GLN   3           H62      GLN   3  -6.504  14.561   5.409
   25    H    GLY   4           H        GLY   4 -11.627  10.215   3.152
   26    HA2  GLY   4           HA2      GLY   4 -13.912  10.679   2.932
   27    HA3  GLY   4           HA3      GLY   4 -13.668  11.658   4.401
   28    H    THR   5           H        THR   5 -12.906  11.834   0.822
   29    HA   THR   5           HA       THR   5 -12.265  14.414   0.586
   30    HB   THR   5           HB       THR   5 -14.232  12.990  -1.287
   31    HG1  THR   5           HG1      THR   5 -12.158  12.359  -2.270
   32   HG21  THR   5          HG21      THR   5 -13.194  14.472  -3.073
   33   HG22  THR   5          HG22      THR   5 -14.079  15.434  -1.862
   34   HG23  THR   5          HG23      THR   5 -12.293  15.355  -1.808
   35    H    PHE   6           H        PHE   6 -15.730  13.350   1.106
   36    HA   PHE   6           HA       PHE   6 -16.772  15.933   0.469
   37    HB2  PHE   6           HB2      PHE   6 -18.323  14.050   0.498
   38    HB3  PHE   6           HB3      PHE   6 -17.934  13.675   2.189
   39    HD1  PHE   6           HD1      PHE   6 -19.513  14.444   3.809
   40    HD2  PHE   6           HD2      PHE   6 -19.101  16.651   0.128
   41    HE1  PHE   6           HE1      PHE   6 -21.317  15.977   4.514
   42    HE2  PHE   6           HE2      PHE   6 -20.798  18.272   0.919
   43    HZ   PHE   6           HZ       PHE   6 -21.926  17.924   3.105
   44    H    THR   7           H        THR   7 -16.084  14.409   3.772
   45    HA   THR   7           HA       THR   7 -16.730  16.888   5.042
   46    HB   THR   7           HB       THR   7 -16.753  14.737   6.298
   47    HG1  THR   7           HG1      THR   7 -15.149  16.814   7.447
   48   HG21  THR   7          HG21      THR   7 -14.579  13.707   5.547
   49   HG22  THR   7          HG22      THR   7 -13.668  15.029   6.330
   50   HG23  THR   7          HG23      THR   7 -14.632  13.903   7.317
   51    H    SER   8           H        SER   8 -13.577  15.542   3.759
   52    HA   SER   8           HA       SER   8 -12.016  17.629   4.957
   53    HB2  SER   8           HB2      SER   8 -10.913  15.659   3.998
   54    HB3  SER   8           HB3      SER   8 -11.487  16.069   2.359
   55    HG   SER   8           HG       SER   8 -10.143  18.040   2.596
   56    H    ASP   9           H        ASP   9 -13.998  17.444   1.888
   57    HA   ASP   9           HA       ASP   9 -12.978  19.987   0.977
   58    HB2  ASP   9           HB2      ASP   9 -15.483  18.440   0.136
   59    HB3  ASP   9           HB3      ASP   9 -14.967  20.000  -0.564
   60    H    LEU  10           H        LEU  10 -15.784  18.981   3.143
   61    HA   LEU  10           HA       LEU  10 -16.806  21.647   3.302
   62    HB2  LEU  10           HB2      LEU  10 -16.703  19.508   5.503
   63    HB3  LEU  10           HB3      LEU  10 -17.499  21.085   5.698
   64    HG   LEU  10           HG       LEU  10 -18.326  18.980   3.611
   65   HD11  LEU  10          HD11      LEU  10 -20.213  18.464   5.176
   66   HD12  LEU  10          HD12      LEU  10 -18.650  18.127   5.950
   67   HD13  LEU  10          HD13      LEU  10 -19.551  19.602   6.375
   68   HD21  LEU  10          HD21      LEU  10 -20.463  20.321   3.516
   69   HD22  LEU  10          HD22      LEU  10 -19.752  21.516   4.637
   70   HD23  LEU  10          HD23      LEU  10 -19.085  21.309   2.993
   71    H    SER  11           H        SER  11 -14.313  19.885   5.350
   72    HA   SER  11           HA       SER  11 -13.700  22.058   6.968
   73    HB2  SER  11           HB2      SER  11 -11.727  19.958   5.897
   74    HB3  SER  11           HB3      SER  11 -11.534  20.913   7.391
   75    HG   SER  11           HG       SER  11 -12.523  18.761   7.787
   76    H    LYS  12           H        LYS  12 -12.477  21.337   3.634
   77    HA   LYS  12           HA       LYS  12 -10.436  23.425   3.746
   78    HB2  LYS  12           HB2      LYS  12 -11.834  22.044   1.378
   79    HB3  LYS  12           HB3      LYS  12 -10.622  23.320   1.173
   80    HG2  LYS  12           HG2      LYS  12  -8.884  22.041   2.217
   81    HG3  LYS  12           HG3      LYS  12  -9.990  20.749   2.744
   82    HD2  LYS  12           HD2      LYS  12 -10.438  20.046   0.447
   83    HD3  LYS  12           HD3      LYS  12  -9.583  21.454  -0.230
   84    HE2  LYS  12           HE2      LYS  12  -8.208  19.243   1.422
   85    HE3  LYS  12           HE3      LYS  12  -8.345  19.250  -0.353
   86    HZ1  LYS  12           HZ1      LYS  12  -6.843  21.301   1.317
   87    HZ2  LYS  12           HZ2      LYS  12  -6.175  20.139   0.239
   88    HZ3  LYS  12           HZ3      LYS  12  -7.128  21.434  -0.394
   89    H    GLN  13           H        GLN  13 -13.830  23.123   2.440
   90    HA   GLN  13           HA       GLN  13 -13.924  25.818   1.512
   91    HB2  GLN  13           HB2      GLN  13 -16.119  23.815   2.278
   92    HB3  GLN  13           HB3      GLN  13 -16.493  25.435   1.655
   93    HG2  GLN  13           HG2      GLN  13 -15.207  24.988  -0.431
   94    HG3  GLN  13           HG3      GLN  13 -14.744  23.383   0.130
   95   HE21  GLN  13          HE21      GLN  13 -18.015  21.918  -0.376
   96   HE22  GLN  13          HE22      GLN  13 -16.622  21.789   0.633
   97    H    LYS  14           H        LYS  14 -14.536  24.477   4.837
   98    HA   LYS  14           HA       LYS  14 -15.630  26.998   5.746
   99    HB2  LYS  14           HB2      LYS  14 -14.108  24.967   7.497
  100    HB3  LYS  14           HB3      LYS  14 -15.062  26.382   8.015
  101    HG2  LYS  14           HG2      LYS  14 -17.091  25.243   6.810
  102    HG3  LYS  14           HG3      LYS  14 -16.056  23.791   6.713
  103    HD2  LYS  14           HD2      LYS  14 -15.701  24.167   9.332
  104    HD3  LYS  14           HD3      LYS  14 -17.088  25.272   9.182
  105    HE2  LYS  14           HE2      LYS  14 -18.040  23.112   9.810
  106    HE3  LYS  14           HE3      LYS  14 -18.367  23.269   8.062
  107    HZ1  LYS  14           HZ1      LYS  14 -15.843  21.960   8.507
  108    H    ASP  15           H        ASP  15 -12.321  25.412   5.922
  109    HA   ASP  15           HA       ASP  15 -11.004  27.453   7.161
  110    HB2  ASP  15           H32      ASP  15  -9.896  25.324   6.396
  111    HB3  ASP  15           H33      ASP  15  -9.843  25.930   4.735
  112    H    GLU  16           H        GLU  16 -11.741  27.205   3.602
  113    HA   GLU  16           HA       GLU  16 -10.377  29.574   2.833
  114    HB2  GLU  16           HB2      GLU  16 -12.868  28.247   1.591
  115    HB3  GLU  16           HB3      GLU  16 -11.994  29.616   0.863
  116    HG2  GLU  16           HG2      GLU  16  -9.883  28.239   0.761
  117    HG3  GLU  16           HG3      GLU  16 -10.774  26.830   1.383
  118    H    GLN  17           H        GLN  17 -13.911  29.110   3.757
  119    HA   GLN  17           HA       GLN  17 -14.482  31.908   3.361
  120    HB2  GLN  17           H42      GLN  17 -16.243  30.119   3.388
  121    HB3  GLN  17           H43      GLN  17 -15.946  29.850   5.126
  122    HG2  GLN  17           H32      GLN  17 -16.603  32.284   5.554
  123    HG3  GLN  17           H33      GLN  17 -16.950  32.454   3.811
  124   HE21  GLN  17           H61      GLN  17 -20.203  31.784   5.449
  125   HE22  GLN  17           H62      GLN  17 -19.058  33.075   5.406
  126    H    ARG  18           H        ARG  18 -13.847  29.966   6.357
  127    HA   ARG  18           HA       ARG  18 -13.876  32.042   8.242
  128    HB2  ARG  18           H42      ARG  18 -12.161  29.485   8.001
  129    HB3  ARG  18           H43      ARG  18 -12.046  30.519   9.426
  130    HG2  ARG  18           H33      ARG  18 -14.420  30.223   9.957
  131    HG3  ARG  18           H32      ARG  18 -14.710  29.308   8.449
  132    HD2  ARG  18           H52      ARG  18 -13.189  27.521   9.218
  133    HD3  ARG  18           H53      ARG  18 -12.948  28.401  10.777
  134    HE   ARG  18           H10      ARG  18 -15.738  28.155  10.453
  135   HH11  ARG  18           H71      ARG  18 -16.902  26.516  11.464
  136   HH12  ARG  18           H72      ARG  18 -16.124  25.049  11.945
  137   HH21  ARG  18           H81      ARG  18 -12.945  25.964  10.824
  138   HH22  ARG  18           H82      ARG  18 -13.916  24.716  11.586
  139    H    ALA  19           H        ALA  19 -11.339  31.329   5.795
  140    HA   ALA  19           HA       ALA  19  -9.392  33.024   7.195
  141    HB1  ALA  19           H21      ALA  19  -8.556  31.002   5.997
  142    HB2  ALA  19           H22      ALA  19  -9.207  31.620   4.457
  143    HB3  ALA  19           H23      ALA  19  -7.873  32.482   5.272
  144    H    LYS  20           H        LYS  20 -11.160  33.067   3.942
  145    HA   LYS  20           HA       LYS  20 -10.167  35.630   3.258
  146    HB2  LYS  20           H42      LYS  20 -11.353  34.205   1.595
  147    HB3  LYS  20           H43      LYS  20 -12.892  34.418   2.490
  148    HG2  LYS  20           H23      LYS  20 -12.823  36.875   2.033
  149    HG3  LYS  20           H22      LYS  20 -11.208  36.730   1.303
  150    HD2  LYS  20           H33      LYS  20 -12.861  36.968  -0.476
  151    HD3  LYS  20           H32      LYS  20 -12.149  35.332  -0.565
  152    HE2  LYS  20           H53      LYS  20 -14.170  34.344   0.471
  153    HE3  LYS  20           H52      LYS  20 -14.869  35.968   0.736
  154    HZ1  LYS  20           H71      LYS  20 -15.824  34.921  -1.241
  155    HZ2  LYS  20           H72      LYS  20 -14.937  36.376  -1.651
  156    HZ3  LYS  20           H73      LYS  20 -14.232  34.799  -1.976
  157    H    LEU  21           H        LEU  21 -13.062  34.572   5.211
  158    HA   LEU  21           HA       LEU  21 -13.948  37.200   5.805
  159    HB2  LEU  21           HB2      LEU  21 -13.933  34.701   7.603
  160    HB3  LEU  21           HB3      LEU  21 -14.501  36.293   8.157
  161    HG   LEU  21           HG       LEU  21 -15.769  34.717   5.849
  162   HD11  LEU  21          HD11      LEU  21 -17.594  34.292   7.559
  163   HD12  LEU  21          HD12      LEU  21 -16.032  33.633   8.118
  164   HD13  LEU  21          HD13      LEU  21 -16.639  35.172   8.784
  165   HD21  LEU  21          HD21      LEU  21 -16.260  37.134   5.543
  166   HD22  LEU  21          HD22      LEU  21 -17.700  36.366   6.234
  167   HD23  LEU  21          HD23      LEU  21 -16.618  37.321   7.283
  168    H    PHE  22           H        PHE  22 -11.653  35.054   7.798
  169    HA   PHE  22           HA       PHE  22 -11.208  36.790   9.737
  170    HB2  PHE  22           HB2      PHE  22 -10.000  34.638   9.686
  171    HB3  PHE  22           HB3      PHE  22  -8.979  35.187   8.354
  172    HD1  PHE  22           HD1      PHE  22  -6.959  36.465   8.822
  173    HD2  PHE  22           HD2      PHE  22  -9.966  36.144  11.883
  174    HE1  PHE  22           HE1      PHE  22  -5.303  37.163  10.525
  175    HE2  PHE  22           HE2      PHE  22  -8.320  36.885  13.574
  176    HZ   PHE  22           HZ       PHE  22  -5.960  37.309  12.916
  177    H    ILE  23           H        ILE  23  -9.179  36.953   6.697
  178    HA   ILE  23           HA       ILE  23  -7.995  39.387   7.680
  179    HB   ILE  23           HB       ILE  23  -6.912  37.725   5.986
  180   HG12  ILE  23          HG12      ILE  23  -5.778  39.485   4.596
  181   HG13  ILE  23          HG13      ILE  23  -6.864  40.704   5.298
  182   HG21  ILE  23          HG21      ILE  23  -8.614  39.270   3.946
  183   HG22  ILE  23          HG22      ILE  23  -7.418  37.995   3.598
  184   HG23  ILE  23          HG23      ILE  23  -8.927  37.579   4.431
  185   HD11  ILE  23          HD11      ILE  23  -4.883  38.893   6.865
  186   HD12  ILE  23          HD12      ILE  23  -4.565  40.585   6.416
  187   HD13  ILE  23          HD13      ILE  23  -5.844  40.208   7.590
  188    H    GLU  24           H        GLU  24 -10.831  38.826   5.465
  189    HA   GLU  24           HA       GLU  24 -10.955  41.679   4.826
  190    HB2  GLU  24           HB2      GLU  24 -13.057  39.469   4.495
  191    HB3  GLU  24           HB3      GLU  24 -13.290  41.173   4.016
  192    HG2  GLU  24           HG2      GLU  24 -11.323  41.013   2.463
  193    HG3  GLU  24           HG3      GLU  24 -11.093  39.315   2.947
  194    H    TRP  25           H        TRP  25 -13.090  39.500   6.855
  195    HA   TRP  25           HA       TRP  25 -14.431  41.259   8.435
  196    HB2  TRP  25           HB2      TRP  25 -14.464  38.813   8.758
  197    HB3  TRP  25           HB3      TRP  25 -12.771  38.817   9.331
  198    HD1  TRP  25           HD1      TRP  25 -16.068  40.433  10.435
  199    HE1  TRP  25           HE1      TRP  25 -16.201  40.254  12.979
  200    HE3  TRP  25           HE3      TRP  25 -11.350  38.580  11.392
  201    HZ2  TRP  25           HZ2      TRP  25 -14.679  39.344  15.071
  202    HZ3  TRP  25           HZ3      TRP  25 -10.709  38.201  13.769
  203    HH2  TRP  25           HH2      TRP  25 -12.380  38.478  15.579
  204    H    LEU  26           H        LEU  26 -10.826  40.543   8.834
  205    HA   LEU  26           HA       LEU  26 -10.631  42.280  11.132
  206    HB2  LEU  26           HB2      LEU  26  -8.459  41.489   9.147
  207    HB3  LEU  26           HB3      LEU  26  -8.227  42.624  10.493
  208    HG   LEU  26           HG       LEU  26  -8.868  39.634  10.825
  209   HD11  LEU  26          HD11      LEU  26  -6.512  40.213  10.180
  210   HD12  LEU  26          HD12      LEU  26  -6.403  41.359  11.554
  211   HD13  LEU  26          HD13      LEU  26  -6.596  39.621  11.857
  212   HD21  LEU  26          HD21      LEU  26 -10.040  40.710  12.645
  213   HD22  LEU  26          HD22      LEU  26  -8.536  40.025  13.274
  214   HD23  LEU  26          HD23      LEU  26  -8.638  41.786  12.970
  215    H    AIB  27           H        ALA  27  -9.859  42.744   7.576
  216   HB11  AIB  27           H21      ALA  27  -7.961  45.061   7.665
  217   HB12  AIB  27           H22      ALA  27  -8.802  46.606   7.345
  218   HB13  AIB  27           H23      ALA  27  -8.911  45.833   8.952
  219   HB21  AIB  27           H31      ALA  27  -9.138  44.022   5.601
  220   HB22  AIB  27           H32      ALA  27 -10.908  44.123   5.457
  221   HB23  AIB  27           H33      ALA  27  -9.928  45.597   5.333
  222    H    ALA  28           H        ALA  28 -12.609  43.985   7.535
  223    HA   ALA  28           HA       ALA  28 -13.999  46.443   7.151
  224    HB1  ALA  28           H21      ALA  28 -14.868  43.880   8.664
  225    HB2  ALA  28           H22      ALA  28 -15.950  45.226   8.249
  226    HB3  ALA  28           H23      ALA  28 -15.174  44.259   6.961
  227    H    GLY  29           H        GLY  29 -13.150  44.607  10.143
  228    HA2  GLY  29           HA2      GLY  29 -12.075  46.317  11.790
  229    HA3  GLY  29           HA3      GLY  29 -13.695  47.043  11.790
  230    H    GLY  30           H        GLY  30 -12.275  43.682  11.928
  231    HA2  GLY  30           HA2      GLY  30 -13.264  41.825  12.979
  232    HA3  GLY  30           HA3      GLY  30 -12.246  42.665  14.128
  233    HA   PRO  31           HA       PRO  31 -16.323  41.778  16.126
  234    HB2  PRO  31           HB2      PRO  31 -14.884  42.879  18.566
  235    HB3  PRO  31           HB3      PRO  31 -15.897  41.421  18.437
  236    HG2  PRO  31           HG2      PRO  31 -13.141  41.193  18.474
  237    HG3  PRO  31           HG3      PRO  31 -14.128  40.177  17.381
  238    HD2  PRO  31           HD2      PRO  31 -12.506  42.651  16.591
  239    HD3  PRO  31           HD3      PRO  31 -12.738  41.091  15.756
  240    HA   PRO  32           HA       PRO  32 -16.757  46.511  17.609
  241    HB2  PRO  32           HB2      PRO  32 -14.949  47.383  15.280
  242    HB3  PRO  32           HB3      PRO  32 -15.386  48.339  16.735
  243    HG2  PRO  32           HG2      PRO  32 -13.013  47.071  16.771
  244    HG3  PRO  32           HG3      PRO  32 -14.101  46.791  18.167
  245    HD2  PRO  32           HD3      PRO  32 -13.682  44.981  15.734
  246    HD3  PRO  32           HD2      PRO  32 -13.686  44.536  17.482
  247    H    SER  33           H        SER  33 -16.340  45.461  14.096
  248    HA   SER  33           HA       SER  33 -18.480  47.138  13.197
  249    HB2  SER  33           HB2      SER  33 -17.548  44.502  11.951
  250    HB3  SER  33           HB3      SER  33 -18.401  45.828  11.105
  251    HG   SER  33           HG       SER  33 -16.053  45.966  10.811
  252    H    AIB  34           H        AIB  34 -18.712  44.252  15.182
  253   HB11  AIB  34           H31      AIB  34 -22.782  43.782  15.490
  254   HB12  AIB  34           H32      AIB  34 -21.707  45.094  16.038
  255   HB13  AIB  34           H33      AIB  34 -22.277  45.042  14.353
  256   HB21  AIB  34           H21      AIB  34 -19.510  42.009  15.906
  257   HB22  AIB  34           H22      AIB  34 -20.322  43.171  16.984
  258   HB23  AIB  34           H23      AIB  34 -21.267  41.907  16.158
  259    H    LYS  35           H        LYS  35 -18.858  42.245  13.539
  260    HA   LYS  35           HA       LYS  35 -20.872  40.820  11.837
  261    HB2  LYS  35           H42      LYS  35 -18.071  41.854  11.137
  262    HB3  LYS  35           H43      LYS  35 -19.034  40.768  10.102
  263    HG2  LYS  35           H23      LYS  35 -20.854  42.482   9.941
  264    HG3  LYS  35           H22      LYS  35 -19.958  43.556  11.044
  265    HD2  LYS  35           H33      LYS  35 -18.116  43.798   9.390
  266    HD3  LYS  35           H32      LYS  35 -18.935  42.665   8.277
  267    HE2  LYS  35           H53      LYS  35 -20.834  44.178   7.990
  268    HE3  LYS  35           H52      LYS  35 -20.228  45.289   9.247
  269    HZ1  LYS  35           H71      LYS  35 -18.298  45.827   7.887
  270    HZ2  LYS  35           H72      LYS  35 -18.792  44.668   6.658
  271    HZ3  LYS  35           H73      LYS  35 -19.767  46.098   6.966
  272    HA   PRO  36           HA       PRO  36 -19.420  37.767  14.446
  273    HB2  PRO  36           HB2      PRO  36 -19.653  35.337  13.003
  274    HB3  PRO  36           HB3      PRO  36 -21.055  36.338  13.506
  275    HG2  PRO  36           HG2      PRO  36 -19.575  36.453  10.835
  276    HG3  PRO  36           HG3      PRO  36 -21.333  36.180  11.063
  277    HD2  PRO  36           HD2      PRO  36 -20.424  38.709  10.533
  278    HD3  PRO  36           HD3      PRO  36 -21.636  38.504  11.857
  279    HA   PRO  37           HA       PRO  37 -15.068  36.952  13.603
  280    HB2  PRO  37           HB2      PRO  37 -14.442  35.047  15.525
  281    HB3  PRO  37           HB3      PRO  37 -15.038  36.674  15.974
  282    HG2  PRO  37           HG2      PRO  37 -16.717  34.126  15.620
  283    HG3  PRO  37           HG3      PRO  37 -16.588  35.111  17.114
  284    HD2  PRO  37           HD2      PRO  37 -18.629  35.523  15.326
  285    HD3  PRO  37           HD3      PRO  37 -17.822  36.952  16.090
  286    HA   PRO  38           HA       PRO  38 -14.784  33.681  10.620
  287    HB2  PRO  38           HB2      PRO  38 -12.857  32.200  12.505
  288    HB3  PRO  38           HB3      PRO  38 -12.743  32.341  10.723
  289    HG2  PRO  38           HG2      PRO  38 -11.262  34.065  12.148
  290    HG3  PRO  38           HG3      PRO  38 -12.350  34.775  10.914
  291    HD2  PRO  38           HD2      PRO  38 -12.874  34.487  13.915
  292    HD3  PRO  38           HD3      PRO  38 -13.035  35.980  12.907
  293    H    LYS  39           H        LYS  39 -15.202  32.265  13.834
  294    HA   LYS  39           HA       LYS  39 -16.994  30.353  13.041
  295    HB2  LYS  39           H42      LYS  39 -15.308  30.430  15.601
  296    HB3  LYS  39           H43      LYS  39 -16.533  29.195  15.214
  297    HG2  LYS  39           H23      LYS  39 -15.284  28.462  13.219
  298    HG3  LYS  39           H22      LYS  39 -14.088  29.766  13.418
  299    HD2  LYS  39           H33      LYS  39 -13.267  28.821  15.521
  300    HD3  LYS  39           H32      LYS  39 -14.553  27.585  15.546
  301    HE2  LYS  39           H53      LYS  39 -13.667  26.506  13.536
  302    HE3  LYS  39           H52      LYS  39 -12.442  27.773  13.300
  303    HZ1  LYS  39           H71      LYS  39 -12.598  25.897  15.665
  304    HZ2  LYS  39           H73      LYS  39 -11.379  27.141  15.404
  305    HZ3  LYS  39           H72      LYS  39 -11.485  25.773  14.307
  306    HN1  NH2  40           H11      LYS  39 -19.033  33.126  14.331
  307    HN2  NH2  40           H12      LYS  39 -18.062  32.836  12.942
  308    H93  EVT 101           H93      XXX  40 -12.658  22.485   9.170
  309    H92  EVT 101           H92      XXX  40 -12.170  23.146  10.744
  310   H103  EVT 101          H103      XXX  40 -11.612  20.244   9.857
  311   H102  EVT 101          H102      XXX  40 -10.430  21.570   9.753
  312    H11  EVT 101           H11      XXX  40 -11.796  20.652  12.348
  313   H122  EVT 101          H122      XXX  40  -8.226  23.283  13.714
  314   H123  EVT 101          H123      XXX  40  -9.696  24.013  14.406
  315   H133  EVT 101          H133      XXX  40  -9.497  22.528  16.416
  316   H132  EVT 101          H132      XXX  40  -8.089  23.594  16.235
  317   H143  EVT 101          H143      XXX  40  -6.725  21.762  15.303
  318   H142  EVT 101          H142      XXX  40  -8.136  20.691  15.201
  319   H153  EVT 101          H153      XXX  40  -8.371  20.918  17.773
  320   H152  EVT 101          H152      XXX  40  -6.760  21.676  17.768
  321    H6   EVT 101           H6       XXX  40 -13.959  20.216   9.381
  322   H163  EVT 101          H163      XXX  40  -5.799  19.573  16.739
  323   H162  EVT 101          H162      XXX  40  -7.445  18.917  16.601
  324   H173  EVT 101          H173      XXX  40  -7.611  19.122  19.193
  325   H172  EVT 101          H172      XXX  40  -5.866  19.462  19.177
  326   H183  EVT 101          H183      XXX  40  -6.182  17.094  19.675
  327   H182  EVT 101          H182      XXX  40  -5.491  17.196  18.034
  328   H193  EVT 101          H193      XXX  40  -7.695  16.715  17.026
  329   H192  EVT 101          H192      XXX  40  -8.511  16.895  18.600
  330   H203  EVT 101          H203      XXX  40  -7.447  14.843  19.434
  331   H202  EVT 101          H202      XXX  40  -6.428  14.714  17.973
  332   H213  EVT 101          H213      XXX  40  -8.442  14.431  16.547
  333   H212  EVT 101          H212      XXX  40  -9.519  14.622  17.953
  334   H223  EVT 101          H223      XXX  40  -8.684  12.545  18.979
  335   H222  EVT 101          H222      XXX  40  -7.465  12.349  17.684
  336    H25  EVT 101           H25      XXX  40  -9.827  22.763  11.838
  337   H293  EVT 101          H293      XXX  40  -9.261  12.151  15.987
  338   H292  EVT 101          H292      XXX  40 -10.522  12.392  17.227
  339   H303  EVT 101          H303      XXX  40  -9.781  10.303  18.401
  340   H302  EVT 101          H302      XXX  40  -8.554  10.013  17.144
  341   H313  EVT 101          H313      XXX  40 -11.598  10.172  16.636
  342   H312  EVT 101          H312      XXX  40 -10.675   8.666  16.859
  343   H321  EVT 101          H321      XXX  40 -10.347  10.655  14.511
  344   H323  EVT 101          H323      XXX  40 -11.006   9.006  14.446
  345   H322  EVT 101          H322      XXX  40  -9.276   9.253  14.804
  346   H353  EVT 101          H353      XXX  40 -15.753  19.663   7.856
  347   H352  EVT 101          H352      XXX  40 -17.228  18.692   7.955
  348   H363  EVT 101          H363      XXX  40 -15.569  18.102   9.764
  349   H362  EVT 101          H362      XXX  40 -17.149  18.620  10.396
  350    H37  EVT 101           H37      XXX  40 -16.288  20.838  10.997
  Start of MODEL    2
    1    H1   HIS   1           H1       HIS   1  -4.570  16.679  -5.820
    2    H2   HIS   1           H2       HIS   1  -3.909  15.958  -7.259
    3    H3   HIS   1           H3       HIS   1  -5.493  16.655  -7.285
    4    HA   HIS   1           HA       HIS   1  -5.609  14.217  -7.214
    5    HB2  HIS   1           HB2      HIS   1  -3.474  13.822  -5.946
    6    HB3  HIS   1           HB3      HIS   1  -4.233  14.496  -4.481
    7    HD1  HIS   1           HD1      HIS   1  -5.110  11.776  -7.016
    8    HD2  HIS   1           HD2      HIS   1  -5.065  12.539  -2.883
    9    HE1  HIS   1           HE1      HIS   1  -5.903   9.640  -5.911
   10    H    AIB   2           H        AIB   2  -7.631  13.354  -6.302
   11   HB11  AIB   2           H31      AIB   2  -9.572  12.316  -4.930
   12   HB12  AIB   2           H32      AIB   2 -10.981  13.401  -4.917
   13   HB13  AIB   2           H33      AIB   2 -10.143  13.037  -6.448
   14   HB21  AIB   2           H21      AIB   2 -10.677  15.902  -5.451
   15   HB22  AIB   2           H22      AIB   2  -9.054  16.568  -5.731
   16   HB23  AIB   2           H23      AIB   2  -9.792  15.482  -6.933
   17    H    GLN   3           H        GLN   3  -7.753  12.998  -3.388
   18    HA   GLN   3           HA       GLN   3  -7.838  12.823  -1.073
   19    HB2  GLN   3           H42      GLN   3  -7.954  15.894  -1.219
   20    HB3  GLN   3           H43      GLN   3  -7.645  14.927   0.236
   21    HG2  GLN   3           H32      GLN   3  -5.557  13.997  -0.770
   22    HG3  GLN   3           H33      GLN   3  -5.872  14.909  -2.272
   23   HE21  GLN   3           H61      GLN   3  -4.740  17.016   1.158
   24   HE22  GLN   3           H62      GLN   3  -5.635  15.563   1.370
   25    H    GLY   4           H        GLY   4 -10.323  12.341  -2.440
   26    HA2  GLY   4           HA2      GLY   4 -12.594  12.187  -1.875
   27    HA3  GLY   4           HA3      GLY   4 -12.169  12.829  -0.280
   28    H    THR   5           H        THR   5 -13.103  13.749  -3.661
   29    HA   THR   5           HA       THR   5 -12.405  16.438  -3.487
   30    HB   THR   5           HB       THR   5 -14.900  15.421  -4.943
   31    HG1  THR   5           HG1      THR   5 -13.314  14.819  -6.608
   32   HG21  THR   5          HG21      THR   5 -12.813  17.587  -5.698
   33   HG22  THR   5          HG22      THR   5 -14.286  17.178  -6.625
   34   HG23  THR   5          HG23      THR   5 -14.425  17.942  -5.024
   35    H    PHE   6           H        PHE   6 -15.438  14.810  -2.278
   36    HA   PHE   6           HA       PHE   6 -16.749  17.347  -1.830
   37    HB2  PHE   6           HB2      PHE   6 -18.041  15.251  -2.193
   38    HB3  PHE   6           HB3      PHE   6 -17.457  14.605  -0.647
   39    HD1  PHE   6           HD1      PHE   6 -18.320  15.525   1.496
   40    HD2  PHE   6           HD2      PHE   6 -19.503  17.282  -2.251
   41    HE1  PHE   6           HE1      PHE   6 -20.168  16.722   2.629
   42    HE2  PHE   6           HE2      PHE   6 -21.306  18.536  -1.092
   43    HZ   PHE   6           HZ       PHE   6 -21.626  18.268   1.357
   44    H    THR   7           H        THR   7 -15.201  14.941   0.517
   45    HA   THR   7           HA       THR   7 -15.704  16.671   2.716
   46    HB   THR   7           HB       THR   7 -15.012  14.224   2.906
   47    HG1  THR   7           HG1      THR   7 -14.974  15.644   4.796
   48   HG21  THR   7          HG21      THR   7 -12.611  13.685   3.054
   49   HG22  THR   7          HG22      THR   7 -12.967  14.323   1.428
   50   HG23  THR   7          HG23      THR   7 -12.163  15.360   2.647
   51    H    SER   8           H        SER   8 -12.978  16.496   0.307
   52    HA   SER   8           HA       SER   8 -11.301  18.371   1.648
   53    HB2  SER   8           HB2      SER   8 -10.477  17.056  -0.293
   54    HB3  SER   8           HB3      SER   8 -11.652  17.866  -1.368
   55    HG   SER   8           HG       SER   8  -9.524  18.926  -1.396
   56    H    ASP   9           H        ASP   9 -14.073  18.758  -0.753
   57    HA   ASP   9           HA       ASP   9 -13.799  21.588  -0.853
   58    HB2  ASP   9           HB2      ASP   9 -16.295  19.850  -1.288
   59    HB3  ASP   9           HB3      ASP   9 -16.270  21.614  -1.516
   60    H    LEU  10           H        LEU  10 -15.576  19.437   1.574
   61    HA   LEU  10           HA       LEU  10 -16.829  21.649   2.852
   62    HB2  LEU  10           HB2      LEU  10 -15.593  19.217   4.267
   63    HB3  LEU  10           HB3      LEU  10 -16.681  20.402   5.024
   64    HG   LEU  10           HG       LEU  10 -17.487  18.510   2.735
   65   HD11  LEU  10          HD11      LEU  10 -18.641  17.194   4.483
   66   HD12  LEU  10          HD12      LEU  10 -16.915  17.310   4.890
   67   HD13  LEU  10          HD13      LEU  10 -18.097  18.330   5.750
   68   HD21  LEU  10          HD21      LEU  10 -19.195  20.333   4.551
   69   HD22  LEU  10          HD22      LEU  10 -18.922  20.587   2.807
   70   HD23  LEU  10          HD23      LEU  10 -19.830  19.166   3.361
   71    H    SER  11           H        SER  11 -13.518  20.147   3.352
   72    HA   SER  11           HA       SER  11 -12.813  21.962   5.406
   73    HB2  SER  11           HB2      SER  11 -11.509  19.889   4.870
   74    HB3  SER  11           HB3      SER  11 -10.904  20.659   3.380
   75    HG   SER  11           HG       SER  11  -9.946  22.293   4.865
   76    H    LYS  12           H        LYS  12 -12.662  22.334   1.795
   77    HA   LYS  12           HA       LYS  12 -11.066  24.779   2.044
   78    HB2  LYS  12           HB2      LYS  12 -12.822  23.863  -0.306
   79    HB3  LYS  12           HB3      LYS  12 -11.719  25.266  -0.300
   80    HG2  LYS  12           HG2      LYS  12  -9.760  23.776   0.111
   81    HG3  LYS  12           HG3      LYS  12 -10.830  22.352   0.075
   82    HD2  LYS  12           HD2      LYS  12 -11.506  22.927  -2.295
   83    HD3  LYS  12           HD3      LYS  12 -10.386  24.319  -2.262
   84    HE2  LYS  12           HE2      LYS  12  -8.456  22.771  -1.867
   85    HE3  LYS  12           HE3      LYS  12  -9.571  21.379  -1.878
   86    HZ1  LYS  12           HZ1      LYS  12  -8.469  21.617  -4.047
   87    HZ2  LYS  12           HZ2      LYS  12 -10.176  21.893  -4.204
   88    HZ3  LYS  12           HZ3      LYS  12  -9.063  23.247  -4.213
   89    H    GLN  13           H        GLN  13 -14.578  23.972   1.631
   90    HA   GLN  13           HA       GLN  13 -15.542  26.599   1.328
   91    HB2  GLN  13           HB2      GLN  13 -16.780  24.146   2.698
   92    HB3  GLN  13           HB3      GLN  13 -17.669  25.672   2.488
   93    HG2  GLN  13           HG2      GLN  13 -17.638  25.504   0.074
   94    HG3  GLN  13           HG3      GLN  13 -16.435  24.227   0.053
   95   HE21  GLN  13          HE21      GLN  13 -20.321  23.265   1.215
   96   HE22  GLN  13          HE22      GLN  13 -19.790  24.889   1.444
   97    H    LYS  14           H        LYS  14 -14.926  24.710   4.415
   98    HA   LYS  14           HA       LYS  14 -15.803  27.003   5.981
   99    HB2  LYS  14           HB2      LYS  14 -14.067  24.706   7.064
  100    HB3  LYS  14           HB3      LYS  14 -15.028  25.911   7.952
  101    HG2  LYS  14           HG2      LYS  14 -17.117  24.891   6.840
  102    HG3  LYS  14           HG3      LYS  14 -16.062  23.621   6.200
  103    HD2  LYS  14           HD2      LYS  14 -15.300  23.586   8.902
  104    HD3  LYS  14           HD3      LYS  14 -16.997  24.088   9.023
  105    HE2  LYS  14           HE2      LYS  14 -16.926  21.654   9.170
  106    HE3  LYS  14           HE3      LYS  14 -17.545  22.005   7.531
  107    HZ1  LYS  14           HZ1      LYS  14 -14.732  21.830   7.325
  108    H    ASP  15           H        ASP  15 -12.557  25.393   5.390
  109    HA   ASP  15           HA       ASP  15 -11.134  27.152   6.955
  110    HB2  ASP  15           H32      ASP  15 -10.151  25.093   5.839
  111    HB3  ASP  15           H33      ASP  15 -10.107  25.966   4.294
  112    H    GLU  16           H        GLU  16 -11.886  27.471   3.416
  113    HA   GLU  16           HA       GLU  16 -10.238  29.832   3.142
  114    HB2  GLU  16           HB2      GLU  16 -12.364  28.740   1.228
  115    HB3  GLU  16           HB3      GLU  16 -11.207  30.036   0.856
  116    HG2  GLU  16           HG2      GLU  16  -9.279  28.517   1.190
  117    HG3  GLU  16           HG3      GLU  16 -10.367  27.171   1.603
  118    H    GLN  17           H        GLN  17 -13.830  29.293   3.702
  119    HA   GLN  17           HA       GLN  17 -14.384  32.132   3.374
  120    HB2  GLN  17           H42      GLN  17 -16.260  30.586   3.221
  121    HB3  GLN  17           H43      GLN  17 -15.952  29.941   4.852
  122    HG2  GLN  17           H32      GLN  17 -16.541  32.113   5.898
  123    HG3  GLN  17           H33      GLN  17 -16.636  32.888   4.302
  124   HE21  GLN  17           H61      GLN  17 -19.886  31.601   3.510
  125   HE22  GLN  17           H62      GLN  17 -18.475  32.323   2.838
  126    H    ARG  18           H        ARG  18 -13.789  29.975   6.240
  127    HA   ARG  18           HA       ARG  18 -13.907  31.933   8.257
  128    HB2  ARG  18           H42      ARG  18 -12.104  29.463   7.912
  129    HB3  ARG  18           H43      ARG  18 -12.089  30.398   9.409
  130    HG2  ARG  18           H33      ARG  18 -14.419  29.956   9.904
  131    HG3  ARG  18           H32      ARG  18 -14.702  29.221   8.308
  132    HD2  ARG  18           H52      ARG  18 -13.106  27.387   8.845
  133    HD3  ARG  18           H53      ARG  18 -12.866  28.097  10.484
  134    HE   ARG  18           H10      ARG  18 -15.677  27.720  10.033
  135   HH11  ARG  18           H71      ARG  18 -16.734  25.965  10.960
  136   HH12  ARG  18           H72      ARG  18 -15.858  24.553  11.433
  137   HH21  ARG  18           H81      ARG  18 -12.735  25.755  10.426
  138   HH22  ARG  18           H82      ARG  18 -13.610  24.411  11.135
  139    H    ALA  19           H        ALA  19 -11.294  31.346   5.861
  140    HA   ALA  19           HA       ALA  19  -9.403  33.026   7.369
  141    HB1  ALA  19           H21      ALA  19  -8.594  30.956   6.270
  142    HB2  ALA  19           H22      ALA  19  -9.061  31.600   4.670
  143    HB3  ALA  19           H23      ALA  19  -7.780  32.406   5.615
  144    H    LYS  20           H        LYS  20 -11.036  33.049   4.065
  145    HA   LYS  20           HA       LYS  20 -10.101  35.627   3.345
  146    HB2  LYS  20           H42      LYS  20 -11.320  34.182   1.728
  147    HB3  LYS  20           H43      LYS  20 -12.805  34.294   2.696
  148    HG2  LYS  20           H23      LYS  20 -12.930  36.765   2.238
  149    HG3  LYS  20           H22      LYS  20 -11.341  36.701   1.445
  150    HD2  LYS  20           H33      LYS  20 -13.022  36.832  -0.285
  151    HD3  LYS  20           H32      LYS  20 -12.310  35.203  -0.355
  152    HE2  LYS  20           H53      LYS  20 -14.320  34.271   0.830
  153    HE3  LYS  20           H52      LYS  20 -14.991  35.912   0.997
  154    HZ1  LYS  20           H71      LYS  20 -14.412  34.523  -1.621
  155    HZ2  LYS  20           H72      LYS  20 -15.995  34.688  -0.869
  156    HZ3  LYS  20           H73      LYS  20 -15.133  36.116  -1.423
  157    H    LEU  21           H        LEU  21 -12.942  34.520   5.353
  158    HA   LEU  21           HA       LEU  21 -13.857  37.146   5.946
  159    HB2  LEU  21           HB2      LEU  21 -13.916  34.600   7.683
  160    HB3  LEU  21           HB3      LEU  21 -14.416  36.182   8.302
  161    HG   LEU  21           HG       LEU  21 -15.755  34.742   5.949
  162   HD11  LEU  21          HD11      LEU  21 -17.591  34.333   7.575
  163   HD12  LEU  21          HD12      LEU  21 -16.080  33.586   8.156
  164   HD13  LEU  21          HD13      LEU  21 -16.645  35.131   8.864
  165   HD21  LEU  21          HD21      LEU  21 -16.145  37.191   5.702
  166   HD22  LEU  21          HD22      LEU  21 -17.603  36.489   6.417
  167   HD23  LEU  21          HD23      LEU  21 -16.442  37.349   7.458
  168    H    PHE  22           H        PHE  22 -11.638  35.005   8.023
  169    HA   PHE  22           HA       PHE  22 -11.059  36.711   9.923
  170    HB2  PHE  22           HB2      PHE  22  -9.788  34.628   9.832
  171    HB3  PHE  22           HB3      PHE  22  -8.934  35.127   8.380
  172    HD1  PHE  22           HD1      PHE  22  -6.883  36.359   8.497
  173    HD2  PHE  22           HD2      PHE  22  -9.467  36.296  11.933
  174    HE1  PHE  22           HE1      PHE  22  -5.056  37.275   9.877
  175    HE2  PHE  22           HE2      PHE  22  -7.632  37.237  13.313
  176    HZ   PHE  22           HZ       PHE  22  -5.395  37.620  12.310
  177    H    ILE  23           H        ILE  23  -9.106  36.948   6.852
  178    HA   ILE  23           HA       ILE  23  -7.986  39.398   7.873
  179    HB   ILE  23           HB       ILE  23  -6.811  37.722   6.317
  180   HG12  ILE  23          HG12      ILE  23  -5.540  39.433   4.986
  181   HG13  ILE  23          HG13      ILE  23  -6.708  40.672   5.490
  182   HG21  ILE  23          HG21      ILE  23  -8.381  39.193   4.112
  183   HG22  ILE  23          HG22      ILE  23  -7.134  37.938   3.899
  184   HG23  ILE  23          HG23      ILE  23  -8.700  37.512   4.617
  185   HD11  ILE  23          HD11      ILE  23  -4.945  38.985   7.413
  186   HD12  ILE  23          HD12      ILE  23  -4.537  40.620   6.824
  187   HD13  ILE  23          HD13      ILE  23  -5.933  40.389   7.890
  188    H    GLU  24           H        GLU  24 -10.700  38.766   5.511
  189    HA   GLU  24           HA       GLU  24 -10.826  41.604   4.820
  190    HB2  GLU  24           HB2      GLU  24 -12.893  39.373   4.419
  191    HB3  GLU  24           HB3      GLU  24 -13.117  41.071   3.927
  192    HG2  GLU  24           HG2      GLU  24 -11.103  40.928   2.446
  193    HG3  GLU  24           HG3      GLU  24 -10.849  39.235   2.937
  194    H    TRP  25           H        TRP  25 -13.010  39.425   6.801
  195    HA   TRP  25           HA       TRP  25 -14.467  41.228   8.234
  196    HB2  TRP  25           HB2      TRP  25 -14.538  38.788   8.673
  197    HB3  TRP  25           HB3      TRP  25 -12.867  38.806   9.295
  198    HD1  TRP  25           HD1      TRP  25 -16.195  40.539  10.263
  199    HE1  TRP  25           HE1      TRP  25 -16.387  40.439  12.793
  200    HE3  TRP  25           HE3      TRP  25 -11.547  38.602  11.408
  201    HZ2  TRP  25           HZ2      TRP  25 -15.008  39.481  14.943
  202    HZ3  TRP  25           HZ3      TRP  25 -11.038  38.168  13.807
  203    HH2  TRP  25           HH2      TRP  25 -12.794  38.474  15.542
  204    H    LEU  26           H        LEU  26 -10.909  40.514   8.882
  205    HA   LEU  26           HA       LEU  26 -10.845  42.280  11.143
  206    HB2  LEU  26           HB2      LEU  26  -8.542  41.474   9.301
  207    HB3  LEU  26           HB3      LEU  26  -8.414  42.665  10.610
  208    HG   LEU  26           HG       LEU  26  -8.986  39.662  10.986
  209   HD11  LEU  26          HD11      LEU  26  -6.637  40.223  10.460
  210   HD12  LEU  26          HD12      LEU  26  -6.616  41.473  11.741
  211   HD13  LEU  26          HD13      LEU  26  -6.781  39.763  12.176
  212   HD21  LEU  26          HD21      LEU  26 -10.307  40.769  12.727
  213   HD22  LEU  26          HD22      LEU  26  -8.828  40.108  13.422
  214   HD23  LEU  26          HD23      LEU  26  -8.934  41.865  13.095
  215    H    AIB  27           H        ALA  27  -9.904  42.687   7.624
  216   HB11  AIB  27           H21      ALA  27  -8.970  45.763   9.015
  217   HB12  AIB  27           H22      ALA  27  -7.948  44.983   7.790
  218   HB13  AIB  27           H23      ALA  27  -8.749  46.538   7.424
  219   HB21  AIB  27           H31      ALA  27  -8.982  43.947   5.693
  220   HB22  AIB  27           H32      ALA  27 -10.742  44.027   5.428
  221   HB23  AIB  27           H33      ALA  27  -9.764  45.506   5.329
  222    H    ALA  28           H        ALA  28 -12.621  44.002   7.306
  223    HA   ALA  28           HA       ALA  28 -13.881  46.482   6.802
  224    HB1  ALA  28           H21      ALA  28 -14.965  43.989   8.292
  225    HB2  ALA  28           H22      ALA  28 -15.962  45.387   7.829
  226    HB3  ALA  28           H23      ALA  28 -15.169  44.385   6.577
  227    H    GLY  29           H        GLY  29 -13.414  44.674   9.880
  228    HA2  GLY  29           HA2      GLY  29 -12.344  46.476  11.511
  229    HA3  GLY  29           HA3      GLY  29 -14.008  47.096  11.500
  230    H    GLY  30           H        GLY  30 -12.459  43.807  11.628
  231    HA2  GLY  30           HA2      GLY  30 -13.471  41.942  12.677
  232    HA3  GLY  30           HA3      GLY  30 -12.358  42.729  13.777
  233    HA   PRO  31           HA       PRO  31 -16.292  41.948  16.059
  234    HB2  PRO  31           HB2      PRO  31 -14.612  42.976  18.385
  235    HB3  PRO  31           HB3      PRO  31 -15.690  41.562  18.315
  236    HG2  PRO  31           HG2      PRO  31 -12.960  41.226  18.145
  237    HG3  PRO  31           HG3      PRO  31 -14.079  40.261  17.134
  238    HD2  PRO  31           HD2      PRO  31 -12.430  42.693  16.246
  239    HD3  PRO  31           HD3      PRO  31 -12.738  41.147  15.413
  240    HA   PRO  32           HA       PRO  32 -16.424  46.670  17.545
  241    HB2  PRO  32           HB2      PRO  32 -14.770  47.471  15.081
  242    HB3  PRO  32           HB3      PRO  32 -15.071  48.466  16.543
  243    HG2  PRO  32           HG2      PRO  32 -12.738  47.118  16.444
  244    HG3  PRO  32           HG3      PRO  32 -13.742  46.868  17.900
  245    HD2  PRO  32           HD3      PRO  32 -13.555  45.054  15.445
  246    HD3  PRO  32           HD2      PRO  32 -13.444  44.608  17.192
  247    H    SER  33           H        SER  33 -16.348  45.488  14.053
  248    HA   SER  33           HA       SER  33 -18.532  47.184  13.264
  249    HB2  SER  33           HB2      SER  33 -17.767  44.467  12.075
  250    HB3  SER  33           HB3      SER  33 -18.666  45.782  11.263
  251    HG   SER  33           HG       SER  33 -16.338  45.793  10.730
  252    H    AIB  34           H        AIB  34 -18.520  44.301  15.292
  253   HB11  AIB  34           H31      AIB  34 -22.191  45.086  14.919
  254   HB12  AIB  34           H32      AIB  34 -22.535  43.853  16.140
  255   HB13  AIB  34           H33      AIB  34 -21.422  45.189  16.522
  256   HB21  AIB  34           H21      AIB  34 -19.260  42.080  16.181
  257   HB22  AIB  34           H22      AIB  34 -19.827  43.324  17.319
  258   HB23  AIB  34           H23      AIB  34 -20.949  42.069  16.738
  259    H    LYS  35           H        LYS  35 -18.870  42.264  13.792
  260    HA   LYS  35           HA       LYS  35 -21.061  40.823  12.358
  261    HB2  LYS  35           H42      LYS  35 -18.344  41.850  11.320
  262    HB3  LYS  35           H43      LYS  35 -19.354  40.666  10.457
  263    HG2  LYS  35           H23      LYS  35 -21.232  42.298  10.340
  264    HG3  LYS  35           H22      LYS  35 -20.276  43.500  11.252
  265    HD2  LYS  35           H33      LYS  35 -18.667  43.724   9.414
  266    HD3  LYS  35           H32      LYS  35 -19.324  42.281   8.599
  267    HE2  LYS  35           H53      LYS  35 -20.065  44.272   7.405
  268    HE3  LYS  35           H52      LYS  35 -21.468  43.439   8.112
  269    HZ1  LYS  35           H71      LYS  35 -21.591  45.881   8.354
  270    HZ2  LYS  35           H72      LYS  35 -21.525  45.090   9.918
  271    HZ3  LYS  35           H73      LYS  35 -20.089  45.876   9.268
  272    HA   PRO  36           HA       PRO  36 -19.326  37.750  14.731
  273    HB2  PRO  36           HB2      PRO  36 -19.645  35.335  13.274
  274    HB3  PRO  36           HB3      PRO  36 -20.990  36.284  13.971
  275    HG2  PRO  36           HG2      PRO  36 -19.898  36.482  11.124
  276    HG3  PRO  36           HG3      PRO  36 -21.599  36.196  11.617
  277    HD2  PRO  36           HD2      PRO  36 -20.774  38.732  10.990
  278    HD3  PRO  36           HD3      PRO  36 -21.797  38.495  12.464
  279    HA   PRO  37           HA       PRO  37 -15.050  36.898  13.598
  280    HB2  PRO  37           HB2      PRO  37 -14.391  34.842  15.397
  281    HB3  PRO  37           HB3      PRO  37 -14.840  36.478  15.955
  282    HG2  PRO  37           HG2      PRO  37 -16.689  34.058  15.597
  283    HG3  PRO  37           HG3      PRO  37 -16.400  34.957  17.121
  284    HD2  PRO  37           HD2      PRO  37 -18.541  35.584  15.535
  285    HD3  PRO  37           HD3      PRO  37 -17.561  36.935  16.232
  286    HA   PRO  38           HA       PRO  38 -14.795  33.760  10.507
  287    HB2  PRO  38           HB2      PRO  38 -12.946  32.196  12.392
  288    HB3  PRO  38           HB3      PRO  38 -12.837  32.297  10.611
  289    HG2  PRO  38           HG2      PRO  38 -11.298  34.037  11.959
  290    HG3  PRO  38           HG3      PRO  38 -12.416  34.746  10.754
  291    HD2  PRO  38           HD2      PRO  38 -12.846  34.503  13.770
  292    HD3  PRO  38           HD3      PRO  38 -13.044  35.975  12.749
  293    H    LYS  39           H        LYS  39 -14.692  32.235  13.962
  294    HA   LYS  39           HA       LYS  39 -17.393  30.561  12.634
  295    HB2  LYS  39           H42      LYS  39 -15.566  29.973  15.028
  296    HB3  LYS  39           H43      LYS  39 -16.938  28.977  14.472
  297    HG2  LYS  39           H23      LYS  39 -15.827  28.571  12.297
  298    HG3  LYS  39           H22      LYS  39 -14.489  29.660  12.724
  299    HD2  LYS  39           H33      LYS  39 -13.774  27.329  12.961
  300    HD3  LYS  39           H32      LYS  39 -13.783  28.107  14.561
  301    HE2  LYS  39           H53      LYS  39 -15.881  26.951  15.171
  302    HE3  LYS  39           H52      LYS  39 -16.090  26.347  13.509
  303    HZ1  LYS  39           H71      LYS  39 -14.057  25.010  13.741
  304    HZ2  LYS  39           H73      LYS  39 -15.218  24.627  15.004
  305    HZ3  LYS  39           H72      LYS  39 -13.821  25.628  15.371
  306    HN1  NH2  40           H11      LYS  39 -19.037  33.199  14.540
  307    HN2  NH2  40           H12      LYS  39 -18.171  33.080  13.055
  308    H93  EVT 101           H93      XXX  40 -11.700  23.430   7.067
  309    H92  EVT 101           H92      XXX  40 -11.712  24.464   8.509
  310   H103  EVT 101          H103      XXX  40  -9.685  22.223   7.885
  311   H102  EVT 101          H102      XXX  40  -9.369  23.972   7.832
  312    H11  EVT 101           H11      XXX  40 -10.108  22.320  10.315
  313   H122  EVT 101          H122      XXX  40 -10.666  26.660  11.594
  314   H123  EVT 101          H123      XXX  40 -11.626  25.867  12.865
  315   H133  EVT 101          H133      XXX  40  -9.592  25.361  14.165
  316   H132  EVT 101          H132      XXX  40  -9.672  27.109  13.825
  317   H143  EVT 101          H143      XXX  40  -8.030  26.849  11.959
  318   H142  EVT 101          H142      XXX  40  -7.956  25.090  12.229
  319   H153  EVT 101          H153      XXX  40  -7.142  25.483  14.579
  320   H152  EVT 101          H152      XXX  40  -7.108  27.239  14.250
  321    H6   EVT 101           H6       XXX  40 -11.816  20.914   7.526
  322   H163  EVT 101          H163      XXX  40  -5.527  26.761  12.292
  323   H162  EVT 101          H162      XXX  40  -5.450  25.062  12.822
  324   H173  EVT 101          H173      XXX  40  -4.620  27.512  14.518
  325   H172  EVT 101          H172      XXX  40  -3.505  26.476  13.598
  326   H183  EVT 101          H183      XXX  40  -4.155  24.502  15.010
  327   H182  EVT 101          H182      XXX  40  -5.240  25.541  15.979
  328   H193  EVT 101          H193      XXX  40  -3.335  26.965  16.678
  329   H192  EVT 101          H192      XXX  40  -2.233  26.013  15.639
  330   H203  EVT 101          H203      XXX  40  -2.596  24.000  17.034
  331   H202  EVT 101          H202      XXX  40  -3.830  24.837  18.004
  332   H213  EVT 101          H213      XXX  40  -1.595  24.649  19.147
  333   H212  EVT 101          H212      XXX  40  -2.169  26.329  19.009
  334   H223  EVT 101          H223      XXX  40  -0.628  26.840  17.216
  335   H222  EVT 101          H222      XXX  40  -0.235  25.115  16.956
  336    H25  EVT 101           H25      XXX  40  -9.580  25.267  10.002
  337   H293  EVT 101          H293      XXX  40   0.893  25.016  19.152
  338   H292  EVT 101          H292      XXX  40   0.464  26.717  19.492
  339   H303  EVT 101          H303      XXX  40   1.774  27.474  17.502
  340   H302  EVT 101          H302      XXX  40   2.211  25.790  17.120
  341   H313  EVT 101          H313      XXX  40   3.010  27.284  19.704
  342   H312  EVT 101          H312      XXX  40   4.047  27.071  18.272
  343   H321  EVT 101          H321      XXX  40   3.047  24.804  20.111
  344   H323  EVT 101          H323      XXX  40   4.713  25.378  19.891
  345   H322  EVT 101          H322      XXX  40   3.883  24.544  18.550
  346   H353  EVT 101          H353      XXX  40 -13.850  19.870   6.277
  347   H352  EVT 101          H352      XXX  40 -14.692  18.333   6.504
  348   H363  EVT 101          H363      XXX  40 -12.501  18.444   7.742
  349   H362  EVT 101          H362      XXX  40 -13.895  18.124   8.805
  350    H37  EVT 101           H37      XXX  40 -13.941  20.476   9.533
  Start of MODEL    3
    1    H1   HIS   1           H1       HIS   1  -4.954  12.821   5.631
    2    H2   HIS   1           H2       HIS   1  -3.532  13.092   4.658
    3    H3   HIS   1           H3       HIS   1  -4.710  14.348   4.838
    4    HA   HIS   1           HA       HIS   1  -4.941  13.291   2.647
    5    HB2  HIS   1           HB2      HIS   1  -4.067  10.990   3.496
    6    HB3  HIS   1           HB3      HIS   1  -5.673  10.734   4.212
    7    HD1  HIS   1           HD1      HIS   1  -4.232  11.714   0.815
    8    HD2  HIS   1           HD2      HIS   1  -7.250   9.360   2.543
    9    HE1  HIS   1           HE1      HIS   1  -5.351  10.535  -1.113
   10    H    AIB   2           H        AIB   2  -7.278  12.669   1.735
   11   HB11  AIB   2           H31      AIB   2  -9.616  11.376   1.681
   12   HB12  AIB   2           H32      AIB   2 -10.944  12.564   1.796
   13   HB13  AIB   2           H33      AIB   2  -9.608  12.823   0.643
   14   HB21  AIB   2           H21      AIB   2 -10.346  15.001   2.498
   15   HB22  AIB   2           H22      AIB   2  -8.774  15.347   3.272
   16   HB23  AIB   2           H23      AIB   2  -8.865  15.053   1.516
   17    H    GLN   3           H        GLN   3  -8.945  10.896   3.957
   18    HA   GLN   3           HA       GLN   3 -10.107  10.003   5.787
   19    HB2  GLN   3           H42      GLN   3  -9.276  12.732   6.933
   20    HB3  GLN   3           H43      GLN   3  -9.946  11.392   7.894
   21    HG2  GLN   3           H32      GLN   3  -8.073   9.905   7.206
   22    HG3  GLN   3           H33      GLN   3  -7.319  11.249   6.306
   23   HE21  GLN   3           H61      GLN   3  -5.946  10.954   9.886
   24   HE22  GLN   3           H62      GLN   3  -6.215   9.731   8.707
   25    H    GLY   4           H        GLY   4 -11.865  10.624   3.854
   26    HA2  GLY   4           HA2      GLY   4 -14.259  10.603   4.083
   27    HA3  GLY   4           HA3      GLY   4 -14.165  11.702   5.462
   28    H    THR   5           H        THR   5 -13.713  11.504   1.880
   29    HA   THR   5           HA       THR   5 -12.986  14.098   1.331
   30    HB   THR   5           HB       THR   5 -14.998  12.332  -0.172
   31    HG1  THR   5           HG1      THR   5 -12.170  12.640  -0.536
   32   HG21  THR   5          HG21      THR   5 -15.233  14.624  -1.060
   33   HG22  THR   5          HG22      THR   5 -13.455  14.792  -1.200
   34   HG23  THR   5          HG23      THR   5 -14.332  13.621  -2.225
   35    H    PHE   6           H        PHE   6 -16.422  12.979   1.987
   36    HA   PHE   6           HA       PHE   6 -17.487  15.471   1.065
   37    HB2  PHE   6           HB2      PHE   6 -18.864  13.429   1.134
   38    HB3  PHE   6           HB3      PHE   6 -18.790  13.377   2.901
   39    HD1  PHE   6           HD1      PHE   6 -19.856  15.278   4.254
   40    HD2  PHE   6           HD2      PHE   6 -20.382  14.974  -0.002
   41    HE1  PHE   6           HE1      PHE   6 -21.890  16.677   4.402
   42    HE2  PHE   6           HE2      PHE   6 -22.471  16.289   0.163
   43    HZ   PHE   6           HZ       PHE   6 -23.253  17.109   2.366
   44    H    THR   7           H        THR   7 -17.137  14.266   4.530
   45    HA   THR   7           HA       THR   7 -17.898  16.800   5.563
   46    HB   THR   7           HB       THR   7 -17.854  14.734   6.960
   47    HG1  THR   7           HG1      THR   7 -17.082  15.977   8.812
   48   HG21  THR   7          HG21      THR   7 -15.557  13.792   6.277
   49   HG22  THR   7          HG22      THR   7 -14.776  15.174   7.093
   50   HG23  THR   7          HG23      THR   7 -15.711  13.997   8.035
   51    H    SER   8           H        SER   8 -14.699  15.463   4.464
   52    HA   SER   8           HA       SER   8 -13.163  17.578   5.619
   53    HB2  SER   8           HB2      SER   8 -12.083  15.510   4.771
   54    HB3  SER   8           HB3      SER   8 -12.598  15.914   3.108
   55    HG   SER   8           HG       SER   8 -10.825  17.552   4.676
   56    H    ASP   9           H        ASP   9 -14.954  17.267   2.423
   57    HA   ASP   9           HA       ASP   9 -13.684  19.504   1.233
   58    HB2  ASP   9           HB2      ASP   9 -16.574  18.469   0.870
   59    HB3  ASP   9           HB3      ASP   9 -15.812  19.702  -0.171
   60    H    LEU  10           H        LEU  10 -16.605  19.226   3.405
   61    HA   LEU  10           HA       LEU  10 -17.175  22.012   3.344
   62    HB2  LEU  10           HB2      LEU  10 -17.542  19.984   5.623
   63    HB3  LEU  10           HB3      LEU  10 -18.126  21.662   5.726
   64    HG   LEU  10           HG       LEU  10 -18.979  19.724   3.499
   65   HD11  LEU  10          HD11      LEU  10 -20.361  20.165   6.207
   66   HD12  LEU  10          HD12      LEU  10 -21.037  19.235   4.839
   67   HD13  LEU  10          HD13      LEU  10 -19.575  18.658   5.667
   68   HD21  LEU  10          HD21      LEU  10 -20.979  21.276   3.361
   69   HD22  LEU  10          HD22      LEU  10 -20.311  22.264   4.684
   70   HD23  LEU  10          HD23      LEU  10 -19.488  22.212   3.105
   71    H    SER  11           H        SER  11 -15.103  20.121   5.740
   72    HA   SER  11           HA       SER  11 -14.227  22.430   7.109
   73    HB2  SER  11           HB2      SER  11 -13.807  20.140   7.923
   74    HB3  SER  11           HB3      SER  11 -12.670  19.850   6.571
   75    HG   SER  11           HG       SER  11 -11.557  20.578   8.558
   76    H    LYS  12           H        LYS  12 -12.996  21.115   3.977
   77    HA   LYS  12           HA       LYS  12 -10.648  22.838   3.970
   78    HB2  LYS  12           HB2      LYS  12 -12.199  21.576   1.613
   79    HB3  LYS  12           HB3      LYS  12 -10.711  22.533   1.449
   80    HG2  LYS  12           HG2      LYS  12  -9.428  20.909   2.797
   81    HG3  LYS  12           HG3      LYS  12 -10.882  19.909   3.040
   82    HD2  LYS  12           HD2      LYS  12 -11.045  19.499   0.580
   83    HD3  LYS  12           HD3      LYS  12  -9.625  20.539   0.296
   84    HE2  LYS  12           HE2      LYS  12  -8.194  19.002   1.661
   85    HE3  LYS  12           HE3      LYS  12  -9.600  17.938   1.933
   86    HZ1  LYS  12           HZ1      LYS  12  -8.188  17.108   0.110
   87    HZ2  LYS  12           HZ2      LYS  12  -9.751  17.549  -0.500
   88    HZ3  LYS  12           HZ3      LYS  12  -8.382  18.589  -0.775
   89    H    GLN  13           H        GLN  13 -14.032  23.026   2.674
   90    HA   GLN  13           HA       GLN  13 -13.591  25.699   1.620
   91    HB2  GLN  13           HB2      GLN  13 -16.131  24.024   2.111
   92    HB3  GLN  13           HB3      GLN  13 -16.154  25.656   1.413
   93    HG2  GLN  13           HG2      GLN  13 -14.608  24.924  -0.428
   94    HG3  GLN  13           HG3      GLN  13 -14.587  23.279   0.224
   95   HE21  GLN  13          HE21      GLN  13 -18.005  22.539  -0.764
   96   HE22  GLN  13          HE22      GLN  13 -16.868  22.187   0.484
   97    H    LYS  14           H        LYS  14 -14.590  24.511   4.901
   98    HA   LYS  14           HA       LYS  14 -15.649  27.067   5.687
   99    HB2  LYS  14           HB2      LYS  14 -14.229  25.018   7.498
  100    HB3  LYS  14           HB3      LYS  14 -15.075  26.491   8.003
  101    HG2  LYS  14           HG2      LYS  14 -17.204  25.490   6.840
  102    HG3  LYS  14           HG3      LYS  14 -16.285  23.966   6.738
  103    HD2  LYS  14           HD2      LYS  14 -15.872  24.282   9.323
  104    HD3  LYS  14           HD3      LYS  14 -17.115  25.547   9.215
  105    HE2  LYS  14           HE2      LYS  14 -18.358  23.554   9.794
  106    HE3  LYS  14           HE3      LYS  14 -18.629  23.713   8.038
  107    HZ1  LYS  14           HZ1      LYS  14 -16.325  22.057   8.725
  108    H    ASP  15           H        ASP  15 -12.418  25.384   5.951
  109    HA   ASP  15           HA       ASP  15 -10.984  27.348   7.150
  110    HB2  ASP  15           H32      ASP  15 -10.086  25.124   6.298
  111    HB3  ASP  15           H33      ASP  15  -9.877  25.864   4.699
  112    H    GLU  16           H        GLU  16 -11.917  27.203   3.630
  113    HA   GLU  16           HA       GLU  16 -10.466  29.576   2.918
  114    HB2  GLU  16           HB2      GLU  16 -12.932  28.360   1.545
  115    HB3  GLU  16           HB3      GLU  16 -11.919  29.680   0.900
  116    HG2  GLU  16           HG2      GLU  16  -9.950  28.176   0.860
  117    HG3  GLU  16           HG3      GLU  16 -10.908  26.839   1.528
  118    H    GLN  17           H        GLN  17 -14.053  29.150   3.742
  119    HA   GLN  17           HA       GLN  17 -14.524  31.981   3.477
  120    HB2  GLN  17           H42      GLN  17 -16.420  30.423   3.453
  121    HB3  GLN  17           H43      GLN  17 -16.063  29.869   5.105
  122    HG2  GLN  17           H32      GLN  17 -16.612  32.119   6.026
  123    HG3  GLN  17           H33      GLN  17 -16.767  32.781   4.387
  124   HE21  GLN  17           H61      GLN  17 -19.724  30.235   5.844
  125   HE22  GLN  17           H62      GLN  17 -18.140  30.076   6.491
  126    H    ARG  18           H        ARG  18 -14.002  29.967   6.449
  127    HA   ARG  18           HA       ARG  18 -13.806  31.894   8.401
  128    HB2  ARG  18           H42      ARG  18 -11.956  29.512   7.817
  129    HB3  ARG  18           H43      ARG  18 -11.782  30.445   9.303
  130    HG2  ARG  18           H33      ARG  18 -14.095  29.900  10.011
  131    HG3  ARG  18           H32      ARG  18 -14.353  28.953   8.524
  132    HD2  ARG  18           H52      ARG  18 -12.454  27.440   9.183
  133    HD3  ARG  18           H53      ARG  18 -12.280  28.388  10.708
  134    HE   ARG  18           H10      ARG  18 -15.001  27.469  10.398
  135   HH11  ARG  18           H71      ARG  18 -15.715  25.727  11.628
  136   HH12  ARG  18           H72      ARG  18 -14.594  24.597  12.295
  137   HH21  ARG  18           H81      ARG  18 -11.743  26.172  11.025
  138   HH22  ARG  18           H82      ARG  18 -12.356  24.842  11.985
  139    H    ALA  19           H        ALA  19 -11.360  31.344   5.771
  140    HA   ALA  19           HA       ALA  19  -9.421  33.094   7.099
  141    HB1  ALA  19           H21      ALA  19  -8.592  31.137   5.845
  142    HB2  ALA  19           H22      ALA  19  -9.307  31.754   4.335
  143    HB3  ALA  19           H23      ALA  19  -7.989  32.653   5.134
  144    H    LYS  20           H        LYS  20 -11.331  33.152   3.914
  145    HA   LYS  20           HA       LYS  20 -10.380  35.739   3.236
  146    HB2  LYS  20           H42      LYS  20 -11.542  34.314   1.571
  147    HB3  LYS  20           H43      LYS  20 -13.063  34.448   2.496
  148    HG2  LYS  20           H23      LYS  20 -13.174  36.902   2.035
  149    HG3  LYS  20           H22      LYS  20 -11.531  36.887   1.388
  150    HD2  LYS  20           H33      LYS  20 -13.142  37.053  -0.466
  151    HD3  LYS  20           H32      LYS  20 -12.196  35.552  -0.543
  152    HE2  LYS  20           H53      LYS  20 -14.481  35.028  -1.172
  153    HE3  LYS  20           H52      LYS  20 -14.185  34.287   0.405
  154    HZ1  LYS  20           H71      LYS  20 -15.366  36.239   1.430
  155    HZ2  LYS  20           H72      LYS  20 -15.670  36.860  -0.187
  156    HZ3  LYS  20           H73      LYS  20 -16.368  35.328   0.315
  157    H    LEU  21           H        LEU  21 -13.172  34.609   5.300
  158    HA   LEU  21           HA       LEU  21 -14.075  37.249   5.923
  159    HB2  LEU  21           HB2      LEU  21 -13.961  34.814   7.801
  160    HB3  LEU  21           HB3      LEU  21 -14.675  36.393   8.206
  161    HG   LEU  21           HG       LEU  21 -15.706  34.510   6.026
  162   HD11  LEU  21          HD11      LEU  21 -17.552  34.086   7.679
  163   HD12  LEU  21          HD12      LEU  21 -15.974  33.648   8.387
  164   HD13  LEU  21          HD13      LEU  21 -16.763  35.179   8.859
  165   HD21  LEU  21          HD21      LEU  21 -16.328  36.843   5.466
  166   HD22  LEU  21          HD22      LEU  21 -17.755  36.007   6.119
  167   HD23  LEU  21          HD23      LEU  21 -16.839  37.140   7.145
  168    H    PHE  22           H        PHE  22 -11.694  35.065   7.785
  169    HA   PHE  22           HA       PHE  22 -11.182  36.754   9.739
  170    HB2  PHE  22           HB2      PHE  22  -9.946  34.624   9.575
  171    HB3  PHE  22           HB3      PHE  22  -8.960  35.237   8.247
  172    HD1  PHE  22           HD1      PHE  22  -6.955  36.525   8.764
  173    HD2  PHE  22           HD2      PHE  22  -9.941  36.034  11.821
  174    HE1  PHE  22           HE1      PHE  22  -5.338  37.272  10.479
  175    HE2  PHE  22           HE2      PHE  22  -8.312  36.750  13.533
  176    HZ   PHE  22           HZ       PHE  22  -5.974  37.269  12.878
  177    H    ILE  23           H        ILE  23  -9.269  37.023   6.649
  178    HA   ILE  23           HA       ILE  23  -8.031  39.385   7.749
  179    HB   ILE  23           HB       ILE  23  -6.959  37.730   6.098
  180   HG12  ILE  23          HG12      ILE  23  -5.586  39.410   4.898
  181   HG13  ILE  23          HG13      ILE  23  -6.714  40.703   5.377
  182   HG21  ILE  23          HG21      ILE  23  -8.485  39.399   4.004
  183   HG22  ILE  23          HG22      ILE  23  -7.312  38.096   3.677
  184   HG23  ILE  23          HG23      ILE  23  -8.880  37.712   4.419
  185   HD11  ILE  23          HD11      ILE  23  -4.559  40.494   6.799
  186   HD12  ILE  23          HD12      ILE  23  -6.040  40.453   7.759
  187   HD13  ILE  23          HD13      ILE  23  -5.185  38.930   7.393
  188    H    GLU  24           H        GLU  24 -10.808  38.944   5.425
  189    HA   GLU  24           HA       GLU  24 -10.827  41.811   4.856
  190    HB2  GLU  24           HB2      GLU  24 -13.030  39.716   4.421
  191    HB3  GLU  24           HB3      GLU  24 -13.126  41.444   3.978
  192    HG2  GLU  24           HG2      GLU  24 -11.114  41.171   2.489
  193    HG3  GLU  24           HG3      GLU  24 -11.018  39.452   2.942
  194    H    TRP  25           H        TRP  25 -12.982  39.617   6.820
  195    HA   TRP  25           HA       TRP  25 -14.317  41.300   8.467
  196    HB2  TRP  25           HB2      TRP  25 -14.219  38.822   8.744
  197    HB3  TRP  25           HB3      TRP  25 -12.552  38.925   9.364
  198    HD1  TRP  25           HD1      TRP  25 -15.869  40.497  10.331
  199    HE1  TRP  25           HE1      TRP  25 -16.151  40.256  12.868
  200    HE3  TRP  25           HE3      TRP  25 -11.268  38.513  11.457
  201    HZ2  TRP  25           HZ2      TRP  25 -14.697  39.313  15.029
  202    HZ3  TRP  25           HZ3      TRP  25 -10.701  38.139  13.853
  203    HH2  TRP  25           HH2      TRP  25 -12.455  38.362  15.603
  204    H    LEU  26           H        LEU  26 -10.677  40.615   8.869
  205    HA   LEU  26           HA       LEU  26 -10.545  42.320  11.177
  206    HB2  LEU  26           HB2      LEU  26  -8.292  41.562   9.266
  207    HB3  LEU  26           HB3      LEU  26  -8.138  42.663  10.657
  208    HG   LEU  26           HG       LEU  26  -8.805  39.649  10.800
  209   HD11  LEU  26          HD11      LEU  26  -6.445  40.142  10.288
  210   HD12  LEU  26          HD12      LEU  26  -6.352  41.287  11.662
  211   HD13  LEU  26          HD13      LEU  26  -6.588  39.559  11.960
  212   HD21  LEU  26          HD21      LEU  26 -10.066  40.666  12.641
  213   HD22  LEU  26          HD22      LEU  26  -8.609  39.890  13.268
  214   HD23  LEU  26          HD23      LEU  26  -8.645  41.673  13.069
  215    H    AIB  27           H        ALA  27  -9.761  42.817   7.637
  216   HB11  AIB  27           H21      ALA  27  -8.839  45.986   9.048
  217   HB12  AIB  27           H22      ALA  27  -7.821  45.089   7.898
  218   HB13  AIB  27           H23      ALA  27  -8.556  46.644   7.416
  219   HB21  AIB  27           H31      ALA  27  -8.872  44.155   5.715
  220   HB22  AIB  27           H32      ALA  27 -10.646  44.174   5.529
  221   HB23  AIB  27           H33      ALA  27  -9.728  45.693   5.402
  222    H    ALA  28           H        ALA  28 -12.461  44.118   7.554
  223    HA   ALA  28           HA       ALA  28 -13.806  46.615   7.184
  224    HB1  ALA  28           H21      ALA  28 -14.712  43.990   8.556
  225    HB2  ALA  28           H22      ALA  28 -15.785  45.384   8.290
  226    HB3  ALA  28           H23      ALA  28 -15.073  44.516   6.901
  227    H    GLY  29           H        GLY  29 -13.005  44.694  10.115
  228    HA2  GLY  29           HA2      GLY  29 -11.979  46.301  11.885
  229    HA3  GLY  29           HA3      GLY  29 -13.571  47.075  11.854
  230    H    GLY  30           H        GLY  30 -12.096  43.775  11.940
  231    HA2  GLY  30           HA2      GLY  30 -13.243  41.835  12.735
  232    HA3  GLY  30           HA3      GLY  30 -12.223  42.522  13.981
  233    HA   PRO  31           HA       PRO  31 -16.346  41.678  15.877
  234    HB2  PRO  31           HB2      PRO  31 -15.110  42.891  18.361
  235    HB3  PRO  31           HB3      PRO  31 -16.007  41.371  18.163
  236    HG2  PRO  31           HG2      PRO  31 -13.228  41.369  18.374
  237    HG3  PRO  31           HG3      PRO  31 -14.107  40.194  17.352
  238    HD2  PRO  31           HD2      PRO  31 -12.563  42.664  16.430
  239    HD3  PRO  31           HD3      PRO  31 -12.725  41.057  15.672
  240    HA   PRO  32           HA       PRO  32 -16.876  46.411  17.165
  241    HB2  PRO  32           HB2      PRO  32 -14.903  47.263  14.964
  242    HB3  PRO  32           HB3      PRO  32 -15.444  48.263  16.344
  243    HG2  PRO  32           HG2      PRO  32 -13.093  46.962  16.631
  244    HG3  PRO  32           HG3      PRO  32 -14.311  46.702  17.916
  245    HD2  PRO  32           HD3      PRO  32 -13.673  44.878  15.555
  246    HD3  PRO  32           HD2      PRO  32 -13.832  44.470  17.301
  247    H    SER  33           H        SER  33 -16.501  45.149  13.719
  248    HA   SER  33           HA       SER  33 -18.584  47.025  12.823
  249    HB2  SER  33           HB2      SER  33 -17.490  44.620  11.293
  250    HB3  SER  33           HB3      SER  33 -18.477  45.954  10.658
  251    HG   SER  33           HG       SER  33 -15.832  46.299  11.650
  252    H    AIB  34           H        AIB  34 -18.977  44.369  14.869
  253   HB11  AIB  34           H31      AIB  34 -22.360  44.853  13.438
  254   HB12  AIB  34           H32      AIB  34 -23.002  43.723  14.646
  255   HB13  AIB  34           H33      AIB  34 -22.026  45.124  15.166
  256   HB21  AIB  34           H21      AIB  34 -19.773  42.073  15.597
  257   HB22  AIB  34           H22      AIB  34 -20.665  43.333  16.487
  258   HB23  AIB  34           H23      AIB  34 -21.550  41.983  15.720
  259    H    LYS  35           H        LYS  35 -18.825  42.196  13.284
  260    HA   LYS  35           HA       LYS  35 -20.558  40.610  11.407
  261    HB2  LYS  35           H42      LYS  35 -17.700  41.699  11.178
  262    HB3  LYS  35           H43      LYS  35 -18.293  40.336  10.189
  263    HG2  LYS  35           H23      LYS  35 -20.019  41.793   9.169
  264    HG3  LYS  35           H22      LYS  35 -19.495  43.158  10.210
  265    HD2  LYS  35           H33      LYS  35 -17.267  43.204   9.113
  266    HD3  LYS  35           H32      LYS  35 -17.610  41.687   8.252
  267    HE2  LYS  35           H53      LYS  35 -17.771  43.534   6.686
  268    HE3  LYS  35           H52      LYS  35 -19.388  42.815   6.898
  269    HZ1  LYS  35           H71      LYS  35 -20.016  44.647   8.378
  270    HZ2  LYS  35           H72      LYS  35 -18.395  45.323   8.271
  271    HZ3  LYS  35           H73      LYS  35 -19.424  45.273   6.852
  272    HA   PRO  36           HA       PRO  36 -19.173  37.649  14.338
  273    HB2  PRO  36           HB2      PRO  36 -19.330  35.175  13.000
  274    HB3  PRO  36           HB3      PRO  36 -20.782  36.179  13.244
  275    HG2  PRO  36           HG2      PRO  36 -18.967  36.240  10.787
  276    HG3  PRO  36           HG3      PRO  36 -20.721  35.892  10.811
  277    HD2  PRO  36           HD2      PRO  36 -19.834  38.443  10.299
  278    HD3  PRO  36           HD3      PRO  36 -21.223  38.218  11.418
  279    HA   PRO  37           HA       PRO  37 -14.802  36.834  13.449
  280    HB2  PRO  37           HB2      PRO  37 -14.082  35.095  15.471
  281    HB3  PRO  37           HB3      PRO  37 -14.798  36.665  15.875
  282    HG2  PRO  37           HG2      PRO  37 -16.315  34.026  15.550
  283    HG3  PRO  37           HG3      PRO  37 -16.238  35.020  17.032
  284    HD2  PRO  37           HD2      PRO  37 -18.303  35.338  15.193
  285    HD3  PRO  37           HD3      PRO  37 -17.589  36.768  16.012
  286    HA   PRO  38           HA       PRO  38 -14.522  33.556  10.561
  287    HB2  PRO  38           HB2      PRO  38 -12.618  31.984  12.393
  288    HB3  PRO  38           HB3      PRO  38 -12.479  32.222  10.629
  289    HG2  PRO  38           HG2      PRO  38 -10.976  33.827  12.179
  290    HG3  PRO  38           HG3      PRO  38 -12.026  34.628  10.956
  291    HD2  PRO  38           HD2      PRO  38 -12.658  34.208  13.918
  292    HD3  PRO  38           HD3      PRO  38 -12.721  35.759  12.982
  293    H    LYS  39           H        LYS  39 -14.338  32.058  14.209
  294    HA   LYS  39           HA       LYS  39 -16.715  30.208  13.006
  295    HB2  LYS  39           H42      LYS  39 -14.708  30.145  15.324
  296    HB3  LYS  39           H43      LYS  39 -15.995  28.943  15.028
  297    HG2  LYS  39           H23      LYS  39 -15.014  28.290  12.878
  298    HG3  LYS  39           H22      LYS  39 -13.840  29.627  12.927
  299    HD2  LYS  39           H33      LYS  39 -12.736  27.503  13.470
  300    HD3  LYS  39           H32      LYS  39 -12.670  28.617  14.853
  301    HE2  LYS  39           H53      LYS  39 -14.454  27.374  16.020
  302    HE3  LYS  39           H52      LYS  39 -14.758  26.373  14.577
  303    HZ1  LYS  39           H71      LYS  39 -12.163  26.428  16.120
  304    HZ2  LYS  39           H73      LYS  39 -12.565  25.373  14.770
  305    HZ3  LYS  39           H72      LYS  39 -13.428  25.216  16.294
  306    HN1  NH2  40           H11      LYS  39 -18.586  32.911  14.591
  307    HN2  NH2  40           H12      LYS  39 -17.716  32.706  13.125
  308    H93  EVT 101           H93      XXX  40 -13.429  21.877  10.219
  309    H92  EVT 101           H92      XXX  40 -13.223  22.492  11.871
  310   H103  EVT 101          H103      XXX  40 -12.720  19.613  10.902
  311   H102  EVT 101          H102      XXX  40 -11.536  20.798  11.507
  312    H11  EVT 101           H11      XXX  40 -13.761  19.462  13.100
  313   H122  EVT 101          H122      XXX  40 -12.682  22.834  15.883
  314   H123  EVT 101          H123      XXX  40 -13.994  22.108  16.836
  315   H133  EVT 101          H133      XXX  40 -12.381  20.465  17.827
  316   H132  EVT 101          H132      XXX  40 -11.885  22.142  18.152
  317   H143  EVT 101          H143      XXX  40 -10.276  22.021  16.200
  318   H142  EVT 101          H142      XXX  40 -10.748  20.321  15.945
  319   H153  EVT 101          H153      XXX  40  -9.874  19.718  18.226
  320   H152  EVT 101          H152      XXX  40  -9.524  21.437  18.544
  321    H6   EVT 101           H6       XXX  40 -15.092  19.775  10.194
  322   H163  EVT 101          H163      XXX  40  -7.427  20.397  17.988
  323   H162  EVT 101          H162      XXX  40  -7.882  21.447  16.626
  324   H173  EVT 101          H173      XXX  40  -8.721  19.332  15.393
  325   H172  EVT 101          H172      XXX  40  -8.156  18.375  16.786
  326   H183  EVT 101          H183      XXX  40  -5.819  19.343  16.382
  327   H182  EVT 101          H182      XXX  40  -6.448  20.156  14.923
  328   H193  EVT 101          H193      XXX  40  -7.062  17.906  13.942
  329   H192  EVT 101          H192      XXX  40  -6.417  17.125  15.413
  330   H203  EVT 101          H203      XXX  40  -4.168  18.281  14.914
  331   H202  EVT 101          H202      XXX  40  -4.847  18.810  13.357
  332   H213  EVT 101          H213      XXX  40  -5.184  16.399  12.692
  333   H212  EVT 101          H212      XXX  40  -4.535  15.879  14.271
  334   H223  EVT 101          H223      XXX  40  -2.372  17.096  13.752
  335   H222  EVT 101          H222      XXX  40  -3.000  17.455  12.120
  336    H25  EVT 101           H25      XXX  40 -11.969  21.694  13.906
  337   H293  EVT 101          H293      XXX  40  -3.178  14.980  11.669
  338   H292  EVT 101          H292      XXX  40  -2.558  14.633  13.306
  339   H303  EVT 101          H303      XXX  40  -0.462  16.012  12.700
  340   H302  EVT 101          H302      XXX  40  -1.042  16.030  11.015
  341   H313  EVT 101          H313      XXX  40  -0.339  13.538  12.703
  342   H312  EVT 101          H312      XXX  40   0.681  14.258  11.438
  343   H321  EVT 101          H321      XXX  40  -2.069  12.927  10.993
  344   H323  EVT 101          H323      XXX  40  -0.477  12.297  10.502
  345   H322  EVT 101          H322      XXX  40  -1.136  13.760   9.712
  346   H353  EVT 101          H353      XXX  40 -16.505  19.739   8.198
  347   H352  EVT 101          H352      XXX  40 -18.113  19.071   7.867
  348   H363  EVT 101          H363      XXX  40 -17.146  18.158  10.034
  349   H362  EVT 101          H362      XXX  40 -18.707  19.005  10.222
  350    H37  EVT 101           H37      XXX  40 -17.573  21.004  11.093
  Start of MODEL    4
    1    H1   HIS   1           H1       HIS   1  -4.274  14.222   0.447
    2    H2   HIS   1           H2       HIS   1  -3.026  13.939  -0.730
    3    H3   HIS   1           H3       HIS   1  -4.300  15.055  -1.090
    4    HA   HIS   1           HA       HIS   1  -4.701  12.962  -2.270
    5    HB2  HIS   1           HB2      HIS   1  -3.470  11.517  -0.537
    6    HB3  HIS   1           HB3      HIS   1  -4.896  11.677   0.524
    7    HD1  HIS   1           HD1      HIS   1  -4.122  10.580  -3.042
    8    HD2  HIS   1           HD2      HIS   1  -6.615   9.638   0.208
    9    HE1  HIS   1           HE1      HIS   1  -5.424   8.549  -3.761
   10    H    AIB   2           H        AIB   2  -7.057  11.901  -2.280
   11   HB11  AIB   2           H31      AIB   2  -9.307  10.805  -1.249
   12   HB12  AIB   2           H32      AIB   2 -10.675  11.877  -1.675
   13   HB13  AIB   2           H33      AIB   2  -9.457  11.440  -2.910
   14   HB21  AIB   2           H21      AIB   2 -10.159  14.405  -2.283
   15   HB22  AIB   2           H22      AIB   2  -8.466  14.966  -2.180
   16   HB23  AIB   2           H23      AIB   2  -8.938  13.809  -3.444
   17    H    GLN   3           H        GLN   3  -7.972  11.647   0.707
   18    HA   GLN   3           HA       GLN   3  -8.552  11.792   2.953
   19    HB2  GLN   3           H42      GLN   3  -8.355  14.769   2.242
   20    HB3  GLN   3           H43      GLN   3  -8.501  14.175   3.908
   21    HG2  GLN   3           H32      GLN   3  -6.345  13.040   3.824
   22    HG3  GLN   3           H33      GLN   3  -6.249  13.181   2.057
   23   HE21  GLN   3           H61      GLN   3  -5.517  16.599   4.283
   24   HE22  GLN   3           H62      GLN   3  -6.600  15.431   4.943
   25    H    GLY   4           H        GLY   4 -10.679  11.058   1.309
   26    HA2  GLY   4           HA2      GLY   4 -13.022  10.935   1.450
   27    HA3  GLY   4           HA3      GLY   4 -12.906  11.884   2.940
   28    H    THR   5           H        THR   5 -13.083  12.118  -0.677
   29    HA   THR   5           HA       THR   5 -12.619  14.750  -1.082
   30    HB   THR   5           HB       THR   5 -14.965  13.171  -2.287
   31    HG1  THR   5           HG1      THR   5 -12.251  13.333  -3.165
   32   HG21  THR   5          HG21      THR   5 -15.076  15.648  -2.849
   33   HG22  THR   5          HG22      THR   5 -13.390  15.583  -3.438
   34   HG23  THR   5          HG23      THR   5 -14.673  14.654  -4.273
   35    H    PHE   6           H        PHE   6 -15.906  13.500   0.064
   36    HA   PHE   6           HA       PHE   6 -17.059  16.103  -0.154
   37    HB2  PHE   6           HB2      PHE   6 -18.541  14.145  -0.043
   38    HB3  PHE   6           HB3      PHE   6 -17.955  13.719   1.570
   39    HD1  PHE   6           HD1      PHE   6 -18.688  15.010   3.540
   40    HD2  PHE   6           HD2      PHE   6 -19.967  16.182  -0.399
   41    HE1  PHE   6           HE1      PHE   6 -20.435  16.457   4.528
   42    HE2  PHE   6           HE2      PHE   6 -21.588  17.766   0.600
   43    HZ   PHE   6           HZ       PHE   6 -21.770  17.962   3.072
   44    H    THR   7           H        THR   7 -15.967  14.354   2.887
   45    HA   THR   7           HA       THR   7 -16.460  16.629   4.495
   46    HB   THR   7           HB       THR   7 -16.058  14.394   5.469
   47    HG1  THR   7           HG1      THR   7 -14.335  16.457   6.472
   48   HG21  THR   7          HG21      THR   7 -14.071  13.630   4.131
   49   HG22  THR   7          HG22      THR   7 -13.055  14.891   4.878
   50   HG23  THR   7          HG23      THR   7 -13.723  13.581   5.879
   51    H    SER   8           H        SER   8 -13.558  15.712   2.507
   52    HA   SER   8           HA       SER   8 -11.890  17.760   3.592
   53    HB2  SER   8           HB2      SER   8 -10.844  16.015   2.227
   54    HB3  SER   8           HB3      SER   8 -11.866  16.427   0.826
   55    HG   SER   8           HG       SER   8  -9.958  18.237   1.980
   56    H    ASP   9           H        ASP   9 -14.290  17.719   0.812
   57    HA   ASP   9           HA       ASP   9 -13.606  20.320  -0.073
   58    HB2  ASP   9           HB2      ASP   9 -16.343  18.929  -0.174
   59    HB3  ASP   9           HB3      ASP   9 -15.922  20.411  -1.067
   60    H    LEU  10           H        LEU  10 -15.967  19.171   2.532
   61    HA   LEU  10           HA       LEU  10 -16.861  21.769   3.150
   62    HB2  LEU  10           HB2      LEU  10 -16.263  19.564   5.216
   63    HB3  LEU  10           HB3      LEU  10 -17.140  21.072   5.535
   64    HG   LEU  10           HG       LEU  10 -18.144  18.835   3.679
   65   HD11  LEU  10          HD11      LEU  10 -18.772  19.564   6.608
   66   HD12  LEU  10          HD12      LEU  10 -19.761  18.450   5.635
   67   HD13  LEU  10          HD13      LEU  10 -18.073  18.032   6.011
   68   HD21  LEU  10          HD21      LEU  10 -20.327  20.057   3.859
   69   HD22  LEU  10          HD22      LEU  10 -19.524  21.362   4.770
   70   HD23  LEU  10          HD23      LEU  10 -19.111  21.070   3.059
   71    H    SER  11           H        SER  11 -14.012  19.890   4.599
   72    HA   SER  11           HA       SER  11 -13.236  21.989   6.260
   73    HB2  SER  11           HB2      SER  11 -12.236  19.703   6.376
   74    HB3  SER  11           HB3      SER  11 -11.387  19.993   4.837
   75    HG   SER  11           HG       SER  11 -10.967  21.484   7.273
   76    H    LYS  12           H        LYS  12 -12.559  21.568   2.731
   77    HA   LYS  12           HA       LYS  12 -10.591  23.698   2.706
   78    HB2  LYS  12           HB2      LYS  12 -12.339  22.605   0.402
   79    HB3  LYS  12           HB3      LYS  12 -11.048  23.813   0.214
   80    HG2  LYS  12           HG2      LYS  12  -9.357  22.203   1.044
   81    HG3  LYS  12           HG3      LYS  12 -10.605  20.954   1.262
   82    HD2  LYS  12           HD2      LYS  12 -11.128  20.981  -1.164
   83    HD3  LYS  12           HD3      LYS  12  -9.932  22.281  -1.425
   84    HE2  LYS  12           HE2      LYS  12  -8.073  20.816  -0.743
   85    HE3  LYS  12           HE3      LYS  12  -9.203  19.521  -0.290
   86    HZ1  LYS  12           HZ1      LYS  12  -8.852  20.631  -3.096
   87    HZ2  LYS  12           HZ2      LYS  12  -8.204  19.125  -2.511
   88    HZ3  LYS  12           HZ3      LYS  12  -9.925  19.334  -2.650
   89    H    GLN  13           H        GLN  13 -14.149  23.428   1.999
   90    HA   GLN  13           HA       GLN  13 -14.328  26.184   1.128
   91    HB2  GLN  13           HB2      GLN  13 -16.451  24.136   1.952
   92    HB3  GLN  13           HB3      GLN  13 -16.846  25.753   1.334
   93    HG2  GLN  13           HG2      GLN  13 -15.646  25.340  -0.789
   94    HG3  GLN  13           HG3      GLN  13 -15.121  23.748  -0.250
   95   HE21  GLN  13          HE21      GLN  13 -18.376  22.193  -0.554
   96   HE22  GLN  13          HE22      GLN  13 -17.019  22.181   0.502
   97    H    LYS  14           H        LYS  14 -15.037  24.549   4.319
   98    HA   LYS  14           HA       LYS  14 -15.910  26.889   5.627
   99    HB2  LYS  14           HB2      LYS  14 -14.149  24.710   6.908
  100    HB3  LYS  14           HB3      LYS  14 -15.050  25.995   7.734
  101    HG2  LYS  14           HG2      LYS  14 -17.200  24.891   6.764
  102    HG3  LYS  14           HG3      LYS  14 -16.165  23.550   6.242
  103    HD2  LYS  14           HD2      LYS  14 -15.286  23.604   8.799
  104    HD3  LYS  14           HD3      LYS  14 -16.794  24.522   9.050
  105    HE2  LYS  14           HE2      LYS  14 -17.350  22.294   9.600
  106    HE3  LYS  14           HE3      LYS  14 -17.986  22.436   7.936
  107    HZ1  LYS  14           HZ1      LYS  14 -15.585  21.456   7.358
  108    H    ASP  15           H        ASP  15 -12.568  25.422   5.207
  109    HA   ASP  15           HA       ASP  15 -11.191  27.310   6.702
  110    HB2  ASP  15           H32      ASP  15 -10.083  25.296   5.737
  111    HB3  ASP  15           H33      ASP  15 -10.191  25.986   4.113
  112    H    GLU  16           H        GLU  16 -12.037  27.457   3.162
  113    HA   GLU  16           HA       GLU  16 -10.646  29.928   2.746
  114    HB2  GLU  16           HB2      GLU  16 -12.940  28.664   1.163
  115    HB3  GLU  16           HB3      GLU  16 -12.112  30.158   0.663
  116    HG2  GLU  16           HG2      GLU  16  -9.923  28.979   0.568
  117    HG3  GLU  16           HG3      GLU  16 -10.692  27.453   1.061
  118    H    GLN  17           H        GLN  17 -14.129  29.280   3.717
  119    HA   GLN  17           HA       GLN  17 -14.776  32.093   3.563
  120    HB2  GLN  17           H42      GLN  17 -16.542  30.320   3.718
  121    HB3  GLN  17           H43      GLN  17 -16.051  29.960   5.387
  122    HG2  GLN  17           H32      GLN  17 -16.579  32.354   6.041
  123    HG3  GLN  17           H33      GLN  17 -17.058  32.692   4.369
  124   HE21  GLN  17           H61      GLN  17 -20.337  31.310   4.861
  125   HE22  GLN  17           H62      GLN  17 -19.296  32.120   3.764
  126    H    ARG  18           H        ARG  18 -13.682  29.921   6.256
  127    HA   ARG  18           HA       ARG  18 -13.672  31.860   8.315
  128    HB2  ARG  18           H42      ARG  18 -11.949  29.371   7.819
  129    HB3  ARG  18           H43      ARG  18 -11.797  30.313   9.305
  130    HG2  ARG  18           H33      ARG  18 -14.079  29.851   9.973
  131    HG3  ARG  18           H32      ARG  18 -14.496  29.163   8.385
  132    HD2  ARG  18           H52      ARG  18 -12.914  27.302   8.696
  133    HD3  ARG  18           H53      ARG  18 -12.514  27.909  10.344
  134    HE   ARG  18           H10      ARG  18 -15.337  27.652  10.231
  135   HH11  ARG  18           H71      ARG  18 -16.348  25.866  11.164
  136   HH12  ARG  18           H72      ARG  18 -15.482  24.390  11.411
  137   HH21  ARG  18           H81      ARG  18 -12.455  25.563  10.117
  138   HH22  ARG  18           H82      ARG  18 -13.298  24.197  10.828
  139    H    ALA  19           H        ALA  19 -11.288  31.355   5.647
  140    HA   ALA  19           HA       ALA  19  -9.240  32.967   7.041
  141    HB1  ALA  19           H21      ALA  19  -8.439  31.066   5.685
  142    HB2  ALA  19           H22      ALA  19  -9.214  31.737   4.228
  143    HB3  ALA  19           H23      ALA  19  -7.867  32.609   5.008
  144    H    LYS  20           H        LYS  20 -11.234  33.144   3.932
  145    HA   LYS  20           HA       LYS  20 -10.335  35.750   3.297
  146    HB2  LYS  20           H42      LYS  20 -11.644  34.270   1.715
  147    HB3  LYS  20           H43      LYS  20 -13.090  34.504   2.714
  148    HG2  LYS  20           H23      LYS  20 -13.046  36.975   2.199
  149    HG3  LYS  20           H22      LYS  20 -11.494  36.767   1.368
  150    HD2  LYS  20           H33      LYS  20 -13.096  36.925  -0.406
  151    HD3  LYS  20           H32      LYS  20 -12.588  35.234  -0.292
  152    HE2  LYS  20           H53      LYS  20 -15.003  35.200  -0.637
  153    HE3  LYS  20           H52      LYS  20 -14.777  34.812   1.070
  154    HZ1  LYS  20           H71      LYS  20 -15.433  37.541  -0.090
  155    HZ2  LYS  20           H72      LYS  20 -16.588  36.433   0.636
  156    HZ3  LYS  20           H73      LYS  20 -15.333  37.153   1.622
  157    H    LEU  21           H        LEU  21 -12.982  34.514   5.488
  158    HA   LEU  21           HA       LEU  21 -13.867  37.116   6.311
  159    HB2  LEU  21           HB2      LEU  21 -13.738  34.469   7.852
  160    HB3  LEU  21           HB3      LEU  21 -14.180  35.999   8.628
  161    HG   LEU  21           HG       LEU  21 -15.733  34.764   6.294
  162   HD11  LEU  21          HD11      LEU  21 -17.411  34.141   8.041
  163   HD12  LEU  21          HD12      LEU  21 -15.836  33.386   8.396
  164   HD13  LEU  21          HD13      LEU  21 -16.355  34.834   9.308
  165   HD21  LEU  21          HD21      LEU  21 -16.161  37.188   6.343
  166   HD22  LEU  21          HD22      LEU  21 -17.535  36.406   7.138
  167   HD23  LEU  21          HD23      LEU  21 -16.275  37.190   8.127
  168    H    PHE  22           H        PHE  22 -11.477  34.866   8.054
  169    HA   PHE  22           HA       PHE  22 -10.643  36.389  10.004
  170    HB2  PHE  22           HB2      PHE  22  -9.509  34.274   9.347
  171    HB3  PHE  22           HB3      PHE  22  -8.602  35.119   8.101
  172    HD1  PHE  22           HD1      PHE  22  -7.128  37.218   8.980
  173    HD2  PHE  22           HD2      PHE  22  -8.433  33.908  11.399
  174    HE1  PHE  22           HE1      PHE  22  -5.383  37.728  10.640
  175    HE2  PHE  22           HE2      PHE  22  -6.614  34.353  12.983
  176    HZ   PHE  22           HZ       PHE  22  -5.125  36.309  12.659
  177    H    ILE  23           H        ILE  23  -9.082  36.995   6.769
  178    HA   ILE  23           HA       ILE  23  -7.967  39.397   7.951
  179    HB   ILE  23           HB       ILE  23  -6.742  37.885   6.340
  180   HG12  ILE  23          HG12      ILE  23  -5.567  39.722   5.084
  181   HG13  ILE  23          HG13      ILE  23  -6.827  40.869   5.585
  182   HG21  ILE  23          HG21      ILE  23  -8.363  39.341   4.157
  183   HG22  ILE  23          HG22      ILE  23  -7.065  38.142   3.912
  184   HG23  ILE  23          HG23      ILE  23  -8.618  37.640   4.605
  185   HD11  ILE  23          HD11      ILE  23  -5.074  39.276   7.567
  186   HD12  ILE  23          HD12      ILE  23  -4.662  40.905   6.967
  187   HD13  ILE  23          HD13      ILE  23  -6.102  40.683   7.967
  188    H    GLU  24           H        GLU  24 -10.623  38.849   5.446
  189    HA   GLU  24           HA       GLU  24 -10.753  41.675   4.879
  190    HB2  GLU  24           HB2      GLU  24 -12.909  39.522   4.591
  191    HB3  GLU  24           HB3      GLU  24 -13.144  41.221   4.137
  192    HG2  GLU  24           HG2      GLU  24 -11.277  41.110   2.505
  193    HG3  GLU  24           HG3      GLU  24 -10.955  39.414   2.947
  194    H    TRP  25           H        TRP  25 -12.633  39.438   7.037
  195    HA   TRP  25           HA       TRP  25 -14.182  41.234   8.457
  196    HB2  TRP  25           HB2      TRP  25 -14.154  38.754   8.836
  197    HB3  TRP  25           HB3      TRP  25 -12.520  38.855   9.535
  198    HD1  TRP  25           HD1      TRP  25 -15.965  40.405  10.301
  199    HE1  TRP  25           HE1      TRP  25 -16.301  40.347  12.829
  200    HE3  TRP  25           HE3      TRP  25 -11.362  38.564  11.705
  201    HZ2  TRP  25           HZ2      TRP  25 -14.904  39.697  15.086
  202    HZ3  TRP  25           HZ3      TRP  25 -10.869  38.427  14.156
  203    HH2  TRP  25           HH2      TRP  25 -12.627  38.925  15.822
  204    H    LEU  26           H        LEU  26 -10.609  40.555   9.100
  205    HA   LEU  26           HA       LEU  26 -10.625  42.354  11.335
  206    HB2  LEU  26           HB2      LEU  26  -8.260  41.514   9.608
  207    HB3  LEU  26           HB3      LEU  26  -8.118  42.573  11.028
  208    HG   LEU  26           HG       LEU  26  -9.120  39.674  11.149
  209   HD11  LEU  26          HD11      LEU  26  -6.687  39.892  10.601
  210   HD12  LEU  26          HD12      LEU  26  -6.484  40.909  12.065
  211   HD13  LEU  26          HD13      LEU  26  -6.966  39.192  12.221
  212   HD21  LEU  26          HD21      LEU  26 -10.195  40.871  12.983
  213   HD22  LEU  26          HD22      LEU  26  -8.858  39.896  13.605
  214   HD23  LEU  26          HD23      LEU  26  -8.638  41.658  13.391
  215    H    AIB  27           H        ALA  27  -9.586  42.718   7.850
  216   HB11  AIB  27           H21      ALA  27  -8.712  45.972   9.177
  217   HB12  AIB  27           H22      ALA  27  -7.625  45.036   8.126
  218   HB13  AIB  27           H23      ALA  27  -8.370  46.553   7.532
  219   HB21  AIB  27           H31      ALA  27  -8.571  43.938   5.948
  220   HB22  AIB  27           H32      ALA  27 -10.329  43.983   5.673
  221   HB23  AIB  27           H33      ALA  27  -9.366  45.472   5.521
  222    H    ALA  28           H        ALA  28 -12.178  43.927   7.791
  223    HA   ALA  28           HA       ALA  28 -13.564  46.376   7.121
  224    HB1  ALA  28           H21      ALA  28 -15.614  45.027   7.748
  225    HB2  ALA  28           H22      ALA  28 -14.534  44.074   6.700
  226    HB3  ALA  28           H23      ALA  28 -14.565  43.774   8.450
  227    H    GLY  29           H        GLY  29 -12.020  45.382  10.105
  228    HA2  GLY  29           HA2      GLY  29 -12.188  46.533  12.178
  229    HA3  GLY  29           HA3      GLY  29 -13.730  47.236  11.676
  230    H    GLY  30           H        GLY  30 -12.209  43.936  11.895
  231    HA2  GLY  30           HA2      GLY  30 -13.831  42.102  12.197
  232    HA3  GLY  30           HA3      GLY  30 -12.671  42.258  13.458
  233    HA   PRO  31           HA       PRO  31 -16.334  42.394  16.030
  234    HB2  PRO  31           HB2      PRO  31 -15.210  43.790  18.334
  235    HB3  PRO  31           HB3      PRO  31 -15.385  42.045  18.064
  236    HG2  PRO  31           HG2      PRO  31 -12.889  43.654  17.828
  237    HG3  PRO  31           HG3      PRO  31 -13.059  41.907  18.005
  238    HD2  PRO  31           HD2      PRO  31 -12.424  43.278  15.558
  239    HD3  PRO  31           HD3      PRO  31 -12.937  41.564  15.711
  240    HA   PRO  32           HA       PRO  32 -16.760  47.317  16.566
  241    HB2  PRO  32           HB2      PRO  32 -15.177  47.611  13.933
  242    HB3  PRO  32           HB3      PRO  32 -15.548  48.911  15.101
  243    HG2  PRO  32           HG2      PRO  32 -13.140  47.691  15.274
  244    HG3  PRO  32           HG3      PRO  32 -14.112  47.818  16.784
  245    HD2  PRO  32           HD3      PRO  32 -13.739  45.367  14.982
  246    HD3  PRO  32           HD2      PRO  32 -13.769  45.484  16.778
  247    H    SER  33           H        SER  33 -16.702  45.487  13.349
  248    HA   SER  33           HA       SER  33 -19.017  46.953  12.420
  249    HB2  SER  33           HB2      SER  33 -18.050  44.249  11.399
  250    HB3  SER  33           HB3      SER  33 -19.028  45.462  10.523
  251    HG   SER  33           HG       SER  33 -16.737  45.651   9.966
  252    H    AIB  34           H        AIB  34 -18.802  44.463  14.846
  253   HB11  AIB  34           H31      AIB  34 -22.484  44.736  14.160
  254   HB12  AIB  34           H32      AIB  34 -22.795  43.738  15.589
  255   HB13  AIB  34           H33      AIB  34 -21.840  45.241  15.742
  256   HB21  AIB  34           H21      AIB  34 -19.351  42.382  16.134
  257   HB22  AIB  34           H22      AIB  34 -20.124  43.743  16.984
  258   HB23  AIB  34           H23      AIB  34 -21.063  42.271  16.612
  259    H    LYS  35           H        LYS  35 -18.877  42.099  13.764
  260    HA   LYS  35           HA       LYS  35 -20.860  40.163  12.648
  261    HB2  LYS  35           H42      LYS  35 -18.406  41.417  11.302
  262    HB3  LYS  35           H43      LYS  35 -19.270  39.994  10.665
  263    HG2  LYS  35           H23      LYS  35 -21.371  41.265  10.448
  264    HG3  LYS  35           H22      LYS  35 -20.621  42.709  11.193
  265    HD2  LYS  35           H33      LYS  35 -19.146  43.071   9.298
  266    HD3  LYS  35           H32      LYS  35 -19.532  41.471   8.606
  267    HE2  LYS  35           H53      LYS  35 -20.655  43.227   7.338
  268    HE3  LYS  35           H52      LYS  35 -21.859  42.185   8.134
  269    HZ1  LYS  35           H71      LYS  35 -20.968  44.886   9.159
  270    HZ2  LYS  35           H72      LYS  35 -22.440  44.566   8.261
  271    HZ3  LYS  35           H73      LYS  35 -22.224  43.866   9.850
  272    HA   PRO  36           HA       PRO  36 -18.491  37.748  15.325
  273    HB2  PRO  36           HB2      PRO  36 -18.798  35.122  14.347
  274    HB3  PRO  36           HB3      PRO  36 -20.168  36.109  14.931
  275    HG2  PRO  36           HG2      PRO  36 -19.150  35.881  12.057
  276    HG3  PRO  36           HG3      PRO  36 -20.784  35.469  12.636
  277    HD2  PRO  36           HD2      PRO  36 -20.313  37.952  11.580
  278    HD3  PRO  36           HD3      PRO  36 -21.265  37.834  13.107
  279    HA   PRO  37           HA       PRO  37 -14.342  36.851  13.781
  280    HB2  PRO  37           HB2      PRO  37 -13.387  35.017  15.686
  281    HB3  PRO  37           HB3      PRO  37 -13.844  36.667  16.123
  282    HG2  PRO  37           HG2      PRO  37 -15.646  34.207  16.229
  283    HG3  PRO  37           HG3      PRO  37 -15.182  35.246  17.607
  284    HD2  PRO  37           HD2      PRO  37 -17.506  35.685  16.304
  285    HD3  PRO  37           HD3      PRO  37 -16.495  37.108  16.705
  286    HA   PRO  38           HA       PRO  38 -14.456  33.615  10.890
  287    HB2  PRO  38           HB2      PRO  38 -12.375  31.990  12.445
  288    HB3  PRO  38           HB3      PRO  38 -12.498  32.194  10.669
  289    HG2  PRO  38           HG2      PRO  38 -10.797  33.839  11.958
  290    HG3  PRO  38           HG3      PRO  38 -12.024  34.612  10.890
  291    HD2  PRO  38           HD2      PRO  38 -12.117  34.222  13.927
  292    HD3  PRO  38           HD3      PRO  38 -12.380  35.757  12.999
  293    H    LYS  39           H        LYS  39 -14.758  32.144  13.968
  294    HA   LYS  39           HA       LYS  39 -16.686  30.385  13.343
  295    HB2  LYS  39           H42      LYS  39 -14.460  29.664  15.322
  296    HB3  LYS  39           H43      LYS  39 -15.928  28.716  14.983
  297    HG2  LYS  39           H23      LYS  39 -15.216  28.492  12.571
  298    HG3  LYS  39           H22      LYS  39 -13.749  29.430  12.922
  299    HD2  LYS  39           H33      LYS  39 -13.191  27.064  12.827
  300    HD3  LYS  39           H32      LYS  39 -12.957  27.631  14.493
  301    HE2  LYS  39           H53      LYS  39 -15.048  26.550  15.226
  302    HE3  LYS  39           H52      LYS  39 -15.498  26.174  13.553
  303    HZ1  LYS  39           H71      LYS  39 -13.092  25.087  15.015
  304    HZ2  LYS  39           H73      LYS  39 -13.572  24.679  13.374
  305    HZ3  LYS  39           H72      LYS  39 -14.606  24.231  14.727
  306    HN1  NH2  40           H11      LYS  39 -17.848  33.027  15.584
  307    HN2  NH2  40           H12      LYS  39 -17.240  32.945  13.981
  308    H93  EVT 101           H93      XXX  40 -10.697  20.052   9.527
  309    H92  EVT 101           H92      XXX  40 -10.096  20.146  11.189
  310   H103  EVT 101          H103      XXX  40 -10.309  17.575   9.478
  311   H102  EVT 101          H102      XXX  40  -8.812  18.489   9.791
  312    H11  EVT 101           H11      XXX  40 -10.558  17.087  11.905
  313   H122  EVT 101          H122      XXX  40  -7.479  19.244  14.438
  314   H123  EVT 101          H123      XXX  40  -8.834  18.835  15.507
  315   H133  EVT 101          H133      XXX  40  -7.615  16.628  16.084
  316   H132  EVT 101          H132      XXX  40  -6.832  18.126  16.622
  317   H143  EVT 101          H143      XXX  40  -5.269  18.067  14.674
  318   H142  EVT 101          H142      XXX  40  -6.054  16.590  14.059
  319   H153  EVT 101          H153      XXX  40  -5.320  15.292  15.999
  320   H152  EVT 101          H152      XXX  40  -4.814  16.763  16.869
  321    H6   EVT 101           H6       XXX  40 -12.620  18.476   9.114
  322   H163  EVT 101          H163      XXX  40  -2.809  15.665  16.130
  323   H162  EVT 101          H162      XXX  40  -2.993  17.185  15.241
  324   H173  EVT 101          H173      XXX  40  -3.827  15.897  13.217
  325   H172  EVT 101          H172      XXX  40  -3.712  14.375  14.147
  326   H183  EVT 101          H183      XXX  40  -1.242  14.836  14.473
  327   H182  EVT 101          H182      XXX  40  -1.400  16.285  13.438
  328   H193  EVT 101          H193      XXX  40  -2.134  14.775  11.518
  329   H192  EVT 101          H192      XXX  40  -1.880  13.363  12.576
  330   H203  EVT 101          H203      XXX  40   0.540  14.034  12.879
  331   H202  EVT 101          H202      XXX  40   0.287  15.435  11.804
  332   H213  EVT 101          H213      XXX  40  -0.262  13.856   9.915
  333   H212  EVT 101          H212      XXX  40   0.046  12.470  10.997
  334   H223  EVT 101          H223      XXX  40   2.417  13.315  11.371
  335   H222  EVT 101          H222      XXX  40   2.088  14.650  10.238
  336    H25  EVT 101           H25      XXX  40  -8.340  18.916  12.258
  337   H293  EVT 101          H293      XXX  40   1.639  12.916   8.430
  338   H292  EVT 101          H292      XXX  40   2.100  11.629   9.584
  339   H303  EVT 101          H303      XXX  40   4.361  12.779   9.876
  340   H302  EVT 101          H302      XXX  40   3.904  13.915   8.583
  341   H313  EVT 101          H313      XXX  40   4.281  10.866   8.305
  342   H312  EVT 101          H312      XXX  40   5.368  12.139   7.708
  343   H321  EVT 101          H321      XXX  40   2.542  11.543   6.644
  344   H323  EVT 101          H323      XXX  40   4.094  11.343   5.796
  345   H322  EVT 101          H322      XXX  40   3.495  12.980   6.175
  346   H353  EVT 101          H353      XXX  40 -14.480  19.345   7.815
  347   H352  EVT 101          H352      XXX  40 -15.963  18.469   7.379
  348   H363  EVT 101          H363      XXX  40 -14.632  17.031   8.835
  349   H362  EVT 101          H362      XXX  40 -16.123  17.513   9.679
  350    H37  EVT 101           H37      XXX  40 -14.732  19.309  10.865
  Start of MODEL    5
    1    H1   HIS   1           H1       HIS   1  -8.976  14.805  -3.168
    2    H2   HIS   1           H2       HIS   1  -8.597  14.625  -4.867
    3    H3   HIS   1           H3       HIS   1  -9.880  15.680  -4.371
    4    HA   HIS   1           HA       HIS   1 -10.817  13.652  -5.267
    5    HB2  HIS   1           HB2      HIS   1  -8.886  12.131  -4.764
    6    HB3  HIS   1           HB3      HIS   1  -9.262  12.227  -3.024
    7    HD1  HIS   1           HD1      HIS   1 -11.101  11.346  -6.248
    8    HD2  HIS   1           HD2      HIS   1 -10.833  10.229  -2.206
    9    HE1  HIS   1           HE1      HIS   1 -12.653   9.375  -5.985
   10    H    AIB   2           H        AIB   2 -12.906  12.815  -4.346
   11   HB11  AIB   2           H31      AIB   2 -15.883  12.870  -2.232
   12   HB12  AIB   2           H32      AIB   2 -15.473  12.892  -3.967
   13   HB13  AIB   2           H33      AIB   2 -14.779  11.650  -2.913
   14   HB21  AIB   2           H21      AIB   2 -15.181  15.411  -2.395
   15   HB22  AIB   2           H22      AIB   2 -13.479  15.813  -2.748
   16   HB23  AIB   2           H23      AIB   2 -14.536  15.206  -4.047
   17    H    GLN   3           H        GLN   3 -13.031  11.520  -1.346
   18    HA   GLN   3           HA       GLN   3 -12.778  11.006   0.908
   19    HB2  GLN   3           H42      GLN   3 -11.625  13.851   0.939
   20    HB3  GLN   3           H43      GLN   3 -11.399  12.627   2.214
   21    HG2  GLN   3           H32      GLN   3 -10.222  11.123   0.628
   22    HG3  GLN   3           H33      GLN   3 -10.422  12.309  -0.681
   23   HE21  GLN   3           H61      GLN   3  -7.884  14.539   0.578
   24   HE22  GLN   3           H62      GLN   3  -9.213  14.414  -0.512
   25    H    GLY   4           H        GLY   4 -15.505  11.871   0.248
   26    HA2  GLY   4           HA2      GLY   4 -16.983  11.812   2.275
   27    HA3  GLY   4           HA3      GLY   4 -16.192  13.289   2.830
   28    H    THR   5           H        THR   5 -16.161  14.378  -0.134
   29    HA   THR   5           HA       THR   5 -17.523  15.785  -1.326
   30    HB   THR   5           HB       THR   5 -19.521  13.549  -0.762
   31    HG1  THR   5           HG1      THR   5 -17.967  14.158  -3.073
   32   HG21  THR   5          HG21      THR   5 -20.849  15.630  -1.265
   33   HG22  THR   5          HG22      THR   5 -19.819  15.928  -2.693
   34   HG23  THR   5          HG23      THR   5 -20.869  14.485  -2.623
   35    H    PHE   6           H        PHE   6 -20.057  14.893   1.163
   36    HA   PHE   6           HA       PHE   6 -20.753  17.724   1.097
   37    HB2  PHE   6           HB2      PHE   6 -22.549  16.124   1.262
   38    HB3  PHE   6           HB3      PHE   6 -21.891  15.392   2.724
   39    HD1  PHE   6           HD1      PHE   6 -22.381  16.310   4.904
   40    HD2  PHE   6           HD2      PHE   6 -23.155  18.717   1.433
   41    HE1  PHE   6           HE1      PHE   6 -23.977  17.677   6.214
   42    HE2  PHE   6           HE2      PHE   6 -24.743  20.093   2.742
   43    HZ   PHE   6           HZ       PHE   6 -25.212  19.531   5.115
   44    H    THR   7           H        THR   7 -19.660  15.521   3.830
   45    HA   THR   7           HA       THR   7 -19.122  17.711   5.556
   46    HB   THR   7           HB       THR   7 -19.215  15.252   6.278
   47    HG1  THR   7           HG1      THR   7 -18.283  16.852   7.696
   48   HG21  THR   7          HG21      THR   7 -17.680  14.301   4.497
   49   HG22  THR   7          HG22      THR   7 -16.301  15.171   5.235
   50   HG23  THR   7          HG23      THR   7 -17.151  13.916   6.157
   51    H    SER   8           H        SER   8 -17.189  16.237   2.869
   52    HA   SER   8           HA       SER   8 -14.713  17.340   3.826
   53    HB2  SER   8           HB2      SER   8 -14.877  15.352   2.314
   54    HB3  SER   8           HB3      SER   8 -15.428  16.411   0.985
   55    HG   SER   8           HG       SER   8 -13.068  16.086   0.981
   56    H    ASP   9           H        ASP   9 -17.028  18.344   1.134
   57    HA   ASP   9           HA       ASP   9 -15.356  20.588   0.427
   58    HB2  ASP   9           HB2      ASP   9 -18.353  20.097  -0.077
   59    HB3  ASP   9           HB3      ASP   9 -17.442  21.494  -0.700
   60    H    LEU  10           H        LEU  10 -18.163  20.093   2.772
   61    HA   LEU  10           HA       LEU  10 -18.311  22.816   3.496
   62    HB2  LEU  10           HB2      LEU  10 -18.598  20.302   5.219
   63    HB3  LEU  10           HB3      LEU  10 -18.817  21.924   5.906
   64    HG   LEU  10           HG       LEU  10 -20.504  20.880   3.553
   65   HD11  LEU  10          HD11      LEU  10 -21.110  20.882   6.562
   66   HD12  LEU  10          HD12      LEU  10 -22.294  20.515   5.268
   67   HD13  LEU  10          HD13      LEU  10 -20.898  19.444   5.520
   68   HD21  LEU  10          HD21      LEU  10 -22.061  22.757   4.311
   69   HD22  LEU  10          HD22      LEU  10 -20.792  23.323   5.426
   70   HD23  LEU  10          HD23      LEU  10 -20.534  23.370   3.662
   71    H    SER  11           H        SER  11 -16.122  20.208   4.919
   72    HA   SER  11           HA       SER  11 -14.841  21.891   6.712
   73    HB2  SER  11           HB2      SER  11 -13.560  19.645   5.052
   74    HB3  SER  11           HB3      SER  11 -12.886  20.354   6.545
   75    HG   SER  11           HG       SER  11 -14.244  18.421   6.981
   76    H    LYS  12           H        LYS  12 -14.209  21.565   3.178
   77    HA   LYS  12           HA       LYS  12 -11.831  23.286   3.320
   78    HB2  LYS  12           HB2      LYS  12 -13.599  22.502   0.918
   79    HB3  LYS  12           HB3      LYS  12 -12.083  23.439   0.823
   80    HG2  LYS  12           HG2      LYS  12 -10.785  21.590   1.753
   81    HG3  LYS  12           HG3      LYS  12 -12.241  20.607   2.019
   82    HD2  LYS  12           HD2      LYS  12 -12.707  20.511  -0.400
   83    HD3  LYS  12           HD3      LYS  12 -11.317  21.560  -0.768
   84    HE2  LYS  12           HE2      LYS  12 -11.112  18.800   0.596
   85    HE3  LYS  12           HE3      LYS  12 -10.901  19.088  -1.150
   86    HZ1  LYS  12           HZ1      LYS  12  -9.095  20.089   1.065
   87    HZ2  LYS  12           HZ2      LYS  12  -8.721  18.974  -0.188
   88    HZ3  LYS  12           HZ3      LYS  12  -9.001  20.637  -0.592
   89    H    GLN  13           H        GLN  13 -15.320  23.720   2.433
   90    HA   GLN  13           HA       GLN  13 -14.924  26.455   1.649
   91    HB2  GLN  13           HB2      GLN  13 -17.458  24.904   2.411
   92    HB3  GLN  13           HB3      GLN  13 -17.468  26.585   1.832
   93    HG2  GLN  13           HG2      GLN  13 -16.357  25.927  -0.296
   94    HG3  GLN  13           HG3      GLN  13 -16.310  24.230   0.206
   95   HE21  GLN  13          HE21      GLN  13 -19.885  23.705  -0.132
   96   HE22  GLN  13          HE22      GLN  13 -18.561  23.227   0.861
   97    H    LYS  14           H        LYS  14 -15.435  24.878   4.889
   98    HA   LYS  14           HA       LYS  14 -16.015  27.422   6.151
   99    HB2  LYS  14           HB2      LYS  14 -14.672  24.977   7.469
  100    HB3  LYS  14           HB3      LYS  14 -15.224  26.472   8.258
  101    HG2  LYS  14           HG2      LYS  14 -17.610  25.852   7.364
  102    HG3  LYS  14           HG3      LYS  14 -16.905  24.266   6.967
  103    HD2  LYS  14           HD2      LYS  14 -16.063  24.279   9.499
  104    HD3  LYS  14           HD3      LYS  14 -17.223  25.607   9.701
  105    HE2  LYS  14           HE2      LYS  14 -18.414  23.558  10.302
  106    HE3  LYS  14           HE3      LYS  14 -19.028  24.002   8.684
  107    HZ1  LYS  14           HZ1      LYS  14 -16.749  22.259   8.474
  108    H    ASP  15           H        ASP  15 -13.013  25.306   5.807
  109    HA   ASP  15           HA       ASP  15 -11.259  27.000   7.040
  110    HB2  ASP  15           H32      ASP  15 -10.619  24.749   5.969
  111    HB3  ASP  15           H33      ASP  15 -10.658  25.547   4.389
  112    H    GLU  16           H        GLU  16 -12.429  27.221   3.637
  113    HA   GLU  16           HA       GLU  16 -10.634  29.424   2.972
  114    HB2  GLU  16           HB2      GLU  16 -13.071  28.255   1.547
  115    HB3  GLU  16           HB3      GLU  16 -12.032  29.526   0.858
  116    HG2  GLU  16           HG2      GLU  16 -10.074  28.049   0.829
  117    HG3  GLU  16           HG3      GLU  16 -10.912  26.799   1.767
  118    H    GLN  17           H        GLN  17 -14.222  29.194   3.780
  119    HA   GLN  17           HA       GLN  17 -14.601  32.008   3.473
  120    HB2  GLN  17           H42      GLN  17 -16.528  30.479   3.587
  121    HB3  GLN  17           H43      GLN  17 -16.154  30.031   5.266
  122    HG2  GLN  17           H32      GLN  17 -16.521  32.395   5.983
  123    HG3  GLN  17           H33      GLN  17 -16.868  32.875   4.311
  124   HE21  GLN  17           H61      GLN  17 -19.931  31.429   6.488
  125   HE22  GLN  17           H62      GLN  17 -18.437  31.848   7.229
  126    H    ARG  18           H        ARG  18 -14.026  30.015   6.449
  127    HA   ARG  18           HA       ARG  18 -13.755  31.929   8.385
  128    HB2  ARG  18           H42      ARG  18 -12.007  29.468   7.789
  129    HB3  ARG  18           H43      ARG  18 -11.761  30.408   9.258
  130    HG2  ARG  18           H33      ARG  18 -14.076  29.965  10.039
  131    HG3  ARG  18           H32      ARG  18 -14.433  29.030   8.566
  132    HD2  ARG  18           H52      ARG  18 -12.585  27.447   9.120
  133    HD3  ARG  18           H53      ARG  18 -12.289  28.371  10.641
  134    HE   ARG  18           H10      ARG  18 -15.041  27.569  10.533
  135   HH11  ARG  18           H71      ARG  18 -15.714  25.802  11.767
  136   HH12  ARG  18           H72      ARG  18 -14.577  24.623  12.312
  137   HH21  ARG  18           H81      ARG  18 -11.779  26.161  10.903
  138   HH22  ARG  18           H82      ARG  18 -12.367  24.823  11.867
  139    H    ALA  19           H        ALA  19 -11.320  31.292   5.767
  140    HA   ALA  19           HA       ALA  19  -9.317  32.942   7.135
  141    HB1  ALA  19           H21      ALA  19  -8.580  30.922   5.892
  142    HB2  ALA  19           H22      ALA  19  -9.208  31.595   4.366
  143    HB3  ALA  19           H23      ALA  19  -7.862  32.407   5.212
  144    H    LYS  20           H        LYS  20 -11.130  33.076   3.890
  145    HA   LYS  20           HA       LYS  20 -10.064  35.628   3.279
  146    HB2  LYS  20           H42      LYS  20 -11.364  34.255   1.578
  147    HB3  LYS  20           H43      LYS  20 -12.852  34.604   2.492
  148    HG2  LYS  20           H23      LYS  20 -12.368  37.126   2.111
  149    HG3  LYS  20           H22      LYS  20 -10.956  36.650   1.162
  150    HD2  LYS  20           H33      LYS  20 -12.746  37.231  -0.364
  151    HD3  LYS  20           H32      LYS  20 -12.426  35.480  -0.493
  152    HE2  LYS  20           H53      LYS  20 -14.848  36.036  -0.586
  153    HE3  LYS  20           H52      LYS  20 -14.503  34.987   0.802
  154    HZ1  LYS  20           H71      LYS  20 -16.065  36.876   1.271
  155    HZ2  LYS  20           H72      LYS  20 -14.660  36.868   2.311
  156    HZ3  LYS  20           H73      LYS  20 -14.751  38.000   0.970
  157    H    LEU  21           H        LEU  21 -13.002  34.594   5.193
  158    HA   LEU  21           HA       LEU  21 -13.861  37.214   5.833
  159    HB2  LEU  21           HB2      LEU  21 -13.829  34.722   7.655
  160    HB3  LEU  21           HB3      LEU  21 -14.421  36.313   8.177
  161    HG   LEU  21           HG       LEU  21 -15.654  34.647   5.942
  162   HD11  LEU  21          HD11      LEU  21 -17.486  34.285   7.658
  163   HD12  LEU  21          HD12      LEU  21 -15.925  33.658   8.248
  164   HD13  LEU  21          HD13      LEU  21 -16.537  35.225   8.843
  165   HD21  LEU  21          HD21      LEU  21 -16.146  37.051   5.521
  166   HD22  LEU  21          HD22      LEU  21 -17.591  36.279   6.195
  167   HD23  LEU  21          HD23      LEU  21 -16.565  37.291   7.242
  168    H    PHE  22           H        PHE  22 -11.547  35.024   7.767
  169    HA   PHE  22           HA       PHE  22 -11.130  36.710   9.752
  170    HB2  PHE  22           HB2      PHE  22  -9.869  34.582   9.650
  171    HB3  PHE  22           HB3      PHE  22  -8.849  35.182   8.348
  172    HD1  PHE  22           HD1      PHE  22  -6.893  36.557   8.886
  173    HD2  PHE  22           HD2      PHE  22  -9.925  36.015  11.886
  174    HE1  PHE  22           HE1      PHE  22  -5.319  37.345  10.627
  175    HE2  PHE  22           HE2      PHE  22  -8.365  36.841  13.614
  176    HZ   PHE  22           HZ       PHE  22  -6.024  37.400  13.005
  177    H    ILE  23           H        ILE  23  -9.081  36.972   6.749
  178    HA   ILE  23           HA       ILE  23  -7.943  39.405   7.808
  179    HB   ILE  23           HB       ILE  23  -6.788  37.806   6.179
  180   HG12  ILE  23          HG12      ILE  23  -5.582  39.566   4.861
  181   HG13  ILE  23          HG13      ILE  23  -6.752  40.784   5.416
  182   HG21  ILE  23          HG21      ILE  23  -8.459  39.301   4.065
  183   HG22  ILE  23          HG22      ILE  23  -7.183  38.104   3.741
  184   HG23  ILE  23          HG23      ILE  23  -8.700  37.594   4.520
  185   HD11  ILE  23          HD11      ILE  23  -4.553  40.738   6.701
  186   HD12  ILE  23          HD12      ILE  23  -5.918  40.455   7.792
  187   HD13  ILE  23          HD13      ILE  23  -4.921  39.080   7.246
  188    H    GLU  24           H        GLU  24 -10.688  38.839   5.470
  189    HA   GLU  24           HA       GLU  24 -10.816  41.693   4.871
  190    HB2  GLU  24           HB2      GLU  24 -12.870  39.462   4.404
  191    HB3  GLU  24           HB3      GLU  24 -13.127  41.178   3.993
  192    HG2  GLU  24           HG2      GLU  24 -11.099  41.146   2.506
  193    HG3  GLU  24           HG3      GLU  24 -10.830  39.431   2.912
  194    H    TRP  25           H        TRP  25 -12.992  39.488   6.833
  195    HA   TRP  25           HA       TRP  25 -14.371  41.222   8.393
  196    HB2  TRP  25           HB2      TRP  25 -14.386  38.775   8.737
  197    HB3  TRP  25           HB3      TRP  25 -12.708  38.806   9.331
  198    HD1  TRP  25           HD1      TRP  25 -16.044  40.417  10.392
  199    HE1  TRP  25           HE1      TRP  25 -16.193  40.274  12.930
  200    HE3  TRP  25           HE3      TRP  25 -11.338  38.552  11.417
  201    HZ2  TRP  25           HZ2      TRP  25 -14.722  39.321  15.037
  202    HZ3  TRP  25           HZ3      TRP  25 -10.745  38.157  13.800
  203    HH2  TRP  25           HH2      TRP  25 -12.450  38.433  15.580
  204    H    LEU  26           H        LEU  26 -10.770  40.567   8.895
  205    HA   LEU  26           HA       LEU  26 -10.684  42.284  11.191
  206    HB2  LEU  26           HB2      LEU  26  -8.409  41.578   9.277
  207    HB3  LEU  26           HB3      LEU  26  -8.267  42.704  10.644
  208    HG   LEU  26           HG       LEU  26  -8.792  39.674  10.845
  209   HD11  LEU  26          HD11      LEU  26  -6.446  40.329  10.356
  210   HD12  LEU  26          HD12      LEU  26  -6.469  41.467  11.738
  211   HD13  LEU  26          HD13      LEU  26  -6.595  39.719  12.022
  212   HD21  LEU  26          HD21      LEU  26 -10.130  40.646  12.666
  213   HD22  LEU  26          HD22      LEU  26  -8.622  40.019  13.340
  214   HD23  LEU  26          HD23      LEU  26  -8.806  41.778  13.061
  215    H    AIB  27           H        ALA  27  -9.851  42.791   7.656
  216   HB11  AIB  27           H21      ALA  27  -9.152  46.059   9.082
  217   HB12  AIB  27           H22      ALA  27  -8.017  45.155   8.052
  218   HB13  AIB  27           H23      ALA  27  -8.779  46.659   7.451
  219   HB21  AIB  27           H31      ALA  27  -8.874  44.225   5.796
  220   HB22  AIB  27           H32      ALA  27 -10.625  44.044   5.521
  221   HB23  AIB  27           H33      ALA  27  -9.879  45.653   5.417
  222    H    ALA  28           H        ALA  28 -12.582  43.948   7.554
  223    HA   ALA  28           HA       ALA  28 -13.999  46.369   6.985
  224    HB1  ALA  28           H21      ALA  28 -14.943  43.842   8.510
  225    HB2  ALA  28           H22      ALA  28 -16.007  45.152   7.946
  226    HB3  ALA  28           H23      ALA  28 -15.111  44.143   6.767
  227    H    GLY  29           H        GLY  29 -13.244  44.598  10.029
  228    HA2  GLY  29           HA2      GLY  29 -12.255  46.384  11.661
  229    HA3  GLY  29           HA3      GLY  29 -13.913  47.022  11.636
  230    H    GLY  30           H        GLY  30 -12.335  43.731  11.852
  231    HA2  GLY  30           HA2      GLY  30 -13.367  41.871  12.911
  232    HA3  GLY  30           HA3      GLY  30 -12.341  42.697  14.055
  233    HA   PRO  31           HA       PRO  31 -16.492  42.117  16.057
  234    HB2  PRO  31           HB2      PRO  31 -14.901  43.160  18.441
  235    HB3  PRO  31           HB3      PRO  31 -16.114  41.851  18.388
  236    HG2  PRO  31           HG2      PRO  31 -13.467  41.179  18.406
  237    HG3  PRO  31           HG3      PRO  31 -14.583  40.368  17.272
  238    HD2  PRO  31           HD2      PRO  31 -12.662  42.688  16.579
  239    HD3  PRO  31           HD3      PRO  31 -12.919  41.141  15.724
  240    HA   PRO  32           HA       PRO  32 -16.567  46.915  17.325
  241    HB2  PRO  32           HB2      PRO  32 -14.801  47.491  14.859
  242    HB3  PRO  32           HB3      PRO  32 -15.139  48.610  16.212
  243    HG2  PRO  32           HG2      PRO  32 -12.829  47.195  16.306
  244    HG3  PRO  32           HG3      PRO  32 -13.880  47.125  17.756
  245    HD2  PRO  32           HD3      PRO  32 -13.628  45.048  15.538
  246    HD3  PRO  32           HD2      PRO  32 -13.646  44.789  17.319
  247    H    SER  33           H        SER  33 -16.428  45.400  13.987
  248    HA   SER  33           HA       SER  33 -18.569  47.070  12.984
  249    HB2  SER  33           HB2      SER  33 -17.752  44.296  12.002
  250    HB3  SER  33           HB3      SER  33 -18.560  45.587  11.057
  251    HG   SER  33           HG       SER  33 -16.203  45.520  10.703
  252    H    AIB  34           H        AIB  34 -18.593  44.283  15.140
  253   HB11  AIB  34           H31      AIB  34 -22.301  44.827  14.505
  254   HB12  AIB  34           H32      AIB  34 -22.658  43.674  15.793
  255   HB13  AIB  34           H33      AIB  34 -21.678  45.119  16.145
  256   HB21  AIB  34           H21      AIB  34 -19.264  42.192  16.236
  257   HB22  AIB  34           H22      AIB  34 -20.023  43.480  17.206
  258   HB23  AIB  34           H23      AIB  34 -20.984  42.075  16.678
  259    H    LYS  35           H        LYS  35 -18.773  42.107  13.838
  260    HA   LYS  35           HA       LYS  35 -20.823  40.533  12.350
  261    HB2  LYS  35           H42      LYS  35 -18.183  41.710  11.314
  262    HB3  LYS  35           H43      LYS  35 -19.224  40.589  10.403
  263    HG2  LYS  35           H23      LYS  35 -21.125  42.246  10.521
  264    HG3  LYS  35           H22      LYS  35 -20.097  43.354  11.457
  265    HD2  LYS  35           H33      LYS  35 -18.523  43.565   9.531
  266    HD3  LYS  35           H32      LYS  35 -19.539  42.453   8.574
  267    HE2  LYS  35           H53      LYS  35 -21.440  44.015   8.634
  268    HE3  LYS  35           H52      LYS  35 -20.589  45.107   9.748
  269    HZ1  LYS  35           H71      LYS  35 -19.693  44.465   6.938
  270    HZ2  LYS  35           H72      LYS  35 -20.514  45.931   7.457
  271    HZ3  LYS  35           H73      LYS  35 -18.900  45.567   8.057
  272    HA   PRO  36           HA       PRO  36 -18.945  37.596  14.778
  273    HB2  PRO  36           HB2      PRO  36 -19.219  35.155  13.380
  274    HB3  PRO  36           HB3      PRO  36 -20.605  36.122  13.970
  275    HG2  PRO  36           HG2      PRO  36 -19.324  36.286  11.194
  276    HG3  PRO  36           HG3      PRO  36 -21.034  35.895  11.544
  277    HD2  PRO  36           HD2      PRO  36 -20.336  38.458  10.958
  278    HD3  PRO  36           HD3      PRO  36 -21.411  38.191  12.387
  279    HA   PRO  37           HA       PRO  37 -14.649  36.732  13.654
  280    HB2  PRO  37           HB2      PRO  37 -13.962  34.754  15.501
  281    HB3  PRO  37           HB3      PRO  37 -14.489  36.371  16.031
  282    HG2  PRO  37           HG2      PRO  37 -16.273  33.900  15.647
  283    HG3  PRO  37           HG3      PRO  37 -16.013  34.786  17.184
  284    HD2  PRO  37           HD2      PRO  37 -18.145  35.400  15.597
  285    HD3  PRO  37           HD3      PRO  37 -17.185  36.749  16.318
  286    HA   PRO  38           HA       PRO  38 -14.548  33.545  10.599
  287    HB2  PRO  38           HB2      PRO  38 -12.625  31.934  12.385
  288    HB3  PRO  38           HB3      PRO  38 -12.556  32.127  10.607
  289    HG2  PRO  38           HG2      PRO  38 -10.968  33.749  12.009
  290    HG3  PRO  38           HG3      PRO  38 -12.086  34.537  10.843
  291    HD2  PRO  38           HD2      PRO  38 -12.491  34.181  13.848
  292    HD3  PRO  38           HD3      PRO  38 -12.648  35.710  12.892
  293    H    LYS  39           H        LYS  39 -15.005  32.382  14.035
  294    HA   LYS  39           HA       LYS  39 -16.852  30.226  12.942
  295    HB2  LYS  39           H42      LYS  39 -15.001  30.064  15.383
  296    HB3  LYS  39           H43      LYS  39 -16.306  28.914  14.988
  297    HG2  LYS  39           H23      LYS  39 -15.206  28.236  12.907
  298    HG3  LYS  39           H22      LYS  39 -13.998  29.539  13.038
  299    HD2  LYS  39           H33      LYS  39 -12.939  27.444  13.620
  300    HD3  LYS  39           H32      LYS  39 -13.017  28.472  15.070
  301    HE2  LYS  39           H53      LYS  39 -14.968  27.141  15.921
  302    HE3  LYS  39           H52      LYS  39 -14.944  26.152  14.437
  303    HZ1  LYS  39           H71      LYS  39 -12.667  25.414  15.009
  304    HZ2  LYS  39           H73      LYS  39 -13.819  25.027  16.283
  305    HZ3  LYS  39           H72      LYS  39 -12.716  26.382  16.474
  306    HN1  NH2  40           H11      LYS  39 -18.711  32.972  14.463
  307    HN2  NH2  40           H12      LYS  39 -17.853  32.684  12.997
  308    H93  EVT 101           H93      XXX  40 -13.918  22.475   8.846
  309    H92  EVT 101           H92      XXX  40 -13.284  22.983  10.415
  310   H103  EVT 101          H103      XXX  40 -12.699  20.311   8.973
  311   H102  EVT 101          H102      XXX  40 -11.571  21.649   9.290
  312    H11  EVT 101           H11      XXX  40 -12.812  19.697  11.282
  313   H122  EVT 101          H122      XXX  40 -11.857  23.276  13.939
  314   H123  EVT 101          H123      XXX  40 -13.621  23.137  14.127
  315   H133  EVT 101          H133      XXX  40 -13.298  21.361  15.881
  316   H132  EVT 101          H132      XXX  40 -12.479  22.885  16.306
  317   H143  EVT 101          H143      XXX  40 -10.301  21.936  15.453
  318   H142  EVT 101          H142      XXX  40 -11.129  20.401  15.067
  319   H153  EVT 101          H153      XXX  40 -11.689  20.074  17.493
  320   H152  EVT 101          H152      XXX  40 -11.006  21.672  17.873
  321    H6   EVT 101           H6       XXX  40 -15.153  20.151   8.974
  322   H163  EVT 101          H163      XXX  40  -9.382  20.042  18.546
  323   H162  EVT 101          H162      XXX  40  -8.740  20.912  17.129
  324   H173  EVT 101          H173      XXX  40  -9.343  18.936  15.666
  325   H172  EVT 101          H172      XXX  40 -10.038  18.113  17.088
  326   H183  EVT 101          H183      XXX  40  -7.775  18.186  18.204
  327   H182  EVT 101          H182      XXX  40  -7.099  18.997  16.769
  328   H193  EVT 101          H193      XXX  40  -7.685  16.955  15.374
  329   H192  EVT 101          H192      XXX  40  -8.334  16.170  16.841
  330   H203  EVT 101          H203      XXX  40  -6.066  16.379  17.937
  331   H202  EVT 101          H202      XXX  40  -5.419  17.102  16.442
  332   H213  EVT 101          H213      XXX  40  -5.919  14.994  15.183
  333   H212  EVT 101          H212      XXX  40  -6.650  14.274  16.640
  334   H223  EVT 101          H223      XXX  40  -4.498  14.417  17.856
  335   H222  EVT 101          H222      XXX  40  -3.722  15.213  16.462
  336    H25  EVT 101           H25      XXX  40 -11.305  22.230  11.918
  337   H293  EVT 101          H293      XXX  40  -4.013  13.199  15.076
  338   H292  EVT 101          H292      XXX  40  -4.901  12.364  16.385
  339   H303  EVT 101          H303      XXX  40  -2.916  12.489  17.875
  340   H302  EVT 101          H302      XXX  40  -1.979  13.347  16.625
  341   H313  EVT 101          H313      XXX  40  -3.075  10.470  16.385
  342   H312  EVT 101          H312      XXX  40  -1.411  10.914  16.841
  343   H321  EVT 101          H321      XXX  40  -2.719  11.469  14.095
  344   H323  EVT 101          H323      XXX  40  -1.441  10.286  14.462
  345   H322  EVT 101          H322      XXX  40  -1.096  12.035  14.593
  346   H353  EVT 101          H353      XXX  40 -17.189  20.142   7.527
  347   H352  EVT 101          H352      XXX  40 -18.804  19.442   7.687
  348   H363  EVT 101          H363      XXX  40 -16.938  18.278   9.057
  349   H362  EVT 101          H362      XXX  40 -18.412  18.722   9.955
  350    H37  EVT 101           H37      XXX  40 -17.281  20.688  10.910
  Start of MODEL    6
    1    H1   HIS   1           H1       HIS   1  -5.404   7.136  -4.169
    2    H2   HIS   1           H2       HIS   1  -5.610   5.886  -5.370
    3    H3   HIS   1           H3       HIS   1  -6.023   7.518  -5.753
    4    HA   HIS   1           HA       HIS   1  -8.052   6.294  -5.340
    5    HB2  HIS   1           HB2      HIS   1  -7.101   4.475  -3.933
    6    HB3  HIS   1           HB3      HIS   1  -6.800   5.629  -2.612
    7    HD1  HIS   1           HD1      HIS   1  -9.793   4.589  -4.746
    8    HD2  HIS   1           HD2      HIS   1  -8.741   5.491  -0.779
    9    HE1  HIS   1           HE1      HIS   1 -11.906   4.278  -3.387
   10    H    AIB   2           H        AIB   2  -9.927   7.419  -4.286
   11   HB11  AIB   2           H31      AIB   2 -11.797  10.224  -2.889
   12   HB12  AIB   2           H32      AIB   2 -11.853   9.108  -4.280
   13   HB13  AIB   2           H33      AIB   2 -11.714   8.461  -2.630
   14   HB21  AIB   2           H21      AIB   2  -9.955  11.407  -4.166
   15   HB22  AIB   2           H22      AIB   2  -8.406  10.603  -4.525
   16   HB23  AIB   2           H23      AIB   2  -9.871  10.167  -5.441
   17    H    GLN   3           H        GLN   3  -9.826   7.880  -1.242
   18    HA   GLN   3           HA       GLN   3  -9.309   8.276   0.987
   19    HB2  GLN   3           H42      GLN   3  -6.968   9.811  -0.252
   20    HB3  GLN   3           H43      GLN   3  -7.130   9.312   1.457
   21    HG2  GLN   3           H32      GLN   3  -7.260   6.912   0.761
   22    HG3  GLN   3           H33      GLN   3  -7.001   7.407  -0.936
   23   HE21  GLN   3           H61      GLN   3  -3.700   6.290   0.262
   24   HE22  GLN   3           H62      GLN   3  -5.223   5.599  -0.157
   25    H    GLY   4           H        GLY   4 -11.465   9.725   0.378
   26    HA2  GLY   4           HA2      GLY   4 -12.646  11.540   1.256
   27    HA3  GLY   4           HA3      GLY   4 -11.320  11.616   2.432
   28    H    THR   5           H        THR   5 -10.833  12.164  -1.161
   29    HA   THR   5           HA       THR   5  -9.672  14.735  -0.647
   30    HB   THR   5           HB       THR   5 -10.949  13.636  -3.224
   31    HG1  THR   5           HG1      THR   5  -8.198  13.724  -2.425
   32   HG21  THR   5          HG21      THR   5  -9.590  15.400  -4.403
   33   HG22  THR   5          HG22      THR   5 -10.826  16.139  -3.355
   34   HG23  THR   5          HG23      THR   5  -9.121  16.100  -2.827
   35    H    PHE   6           H        PHE   6 -13.068  13.697  -1.544
   36    HA   PHE   6           HA       PHE   6 -13.946  16.367  -2.003
   37    HB2  PHE   6           HB2      PHE   6 -15.341  14.584  -2.845
   38    HB3  PHE   6           HB3      PHE   6 -15.518  13.849  -1.244
   39    HD1  PHE   6           HD1      PHE   6 -17.099  14.725   0.381
   40    HD2  PHE   6           HD2      PHE   6 -16.437  16.851  -3.296
   41    HE1  PHE   6           HE1      PHE   6 -19.145  16.047   0.779
   42    HE2  PHE   6           HE2      PHE   6 -18.396  18.287  -2.812
   43    HZ   PHE   6           HZ       PHE   6 -19.765  17.879  -0.782
   44    H    THR   7           H        THR   7 -14.411  14.287   1.011
   45    HA   THR   7           HA       THR   7 -15.597  16.461   2.418
   46    HB   THR   7           HB       THR   7 -15.754  14.108   3.271
   47    HG1  THR   7           HG1      THR   7 -16.069  15.961   4.717
   48   HG21  THR   7          HG21      THR   7 -13.360  13.408   2.957
   49   HG22  THR   7          HG22      THR   7 -12.844  14.561   4.221
   50   HG23  THR   7          HG23      THR   7 -13.914  13.206   4.648
   51    H    SER   8           H        SER   8 -12.100  15.561   1.993
   52    HA   SER   8           HA       SER   8 -11.251  17.453   3.976
   53    HB2  SER   8           HB2      SER   8  -9.678  15.684   3.240
   54    HB3  SER   8           HB3      SER   8  -9.723  16.274   1.559
   55    HG   SER   8           HG       SER   8  -8.708  17.832   3.735
   56    H    ASP   9           H        ASP   9 -12.002  17.689   0.405
   57    HA   ASP   9           HA       ASP   9 -10.925  20.346   0.210
   58    HB2  ASP   9           HB2      ASP   9 -13.133  19.008  -1.468
   59    HB3  ASP   9           HB3      ASP   9 -12.380  20.590  -1.819
   60    H    LEU  10           H        LEU  10 -14.210  19.027   1.254
   61    HA   LEU  10           HA       LEU  10 -15.341  21.644   1.500
   62    HB2  LEU  10           HB2      LEU  10 -15.820  19.172   3.253
   63    HB3  LEU  10           HB3      LEU  10 -16.728  20.695   3.426
   64    HG   LEU  10           HG       LEU  10 -16.761  18.900   0.934
   65   HD11  LEU  10          HD11      LEU  10 -19.094  18.327   1.762
   66   HD12  LEU  10          HD12      LEU  10 -17.825  17.759   2.875
   67   HD13  LEU  10          HD13      LEU  10 -18.768  19.224   3.260
   68   HD21  LEU  10          HD21      LEU  10 -18.777  20.291   0.314
   69   HD22  LEU  10          HD22      LEU  10 -18.486  21.347   1.724
   70   HD23  LEU  10          HD23      LEU  10 -17.324  21.303   0.368
   71    H    SER  11           H        SER  11 -13.526  19.580   3.948
   72    HA   SER  11           HA       SER  11 -13.595  21.442   6.012
   73    HB2  SER  11           HB2      SER  11 -11.251  19.615   5.246
   74    HB3  SER  11           HB3      SER  11 -11.498  20.356   6.848
   75    HG   SER  11           HG       SER  11 -12.417  18.161   6.729
   76    H    LYS  12           H        LYS  12 -11.385  21.378   3.137
   77    HA   LYS  12           HA       LYS  12  -9.722  23.541   4.193
   78    HB2  LYS  12           HB2      LYS  12 -10.119  22.561   1.298
   79    HB3  LYS  12           HB3      LYS  12  -8.967  23.826   1.793
   80    HG2  LYS  12           HG2      LYS  12  -7.720  22.252   3.191
   81    HG3  LYS  12           HG3      LYS  12  -8.884  20.946   2.879
   82    HD2  LYS  12           HD2      LYS  12  -8.386  21.021   0.442
   83    HD3  LYS  12           HD3      LYS  12  -7.188  22.312   0.693
   84    HE2  LYS  12           HE2      LYS  12  -6.993  19.531   2.015
   85    HE3  LYS  12           HE3      LYS  12  -6.268  19.910   0.437
   86    HZ1  LYS  12           HZ1      LYS  12  -4.609  20.105   2.210
   87    HZ2  LYS  12           HZ2      LYS  12  -4.873  21.640   1.448
   88    HZ3  LYS  12           HZ3      LYS  12  -5.545  21.308   3.027
   89    H    GLN  13           H        GLN  13 -12.425  23.254   1.745
   90    HA   GLN  13           HA       GLN  13 -12.303  25.987   1.031
   91    HB2  GLN  13           HB2      GLN  13 -14.546  23.913   0.765
   92    HB3  GLN  13           HB3      GLN  13 -14.713  25.570   0.150
   93    HG2  GLN  13           HG2      GLN  13 -12.712  25.315  -1.298
   94    HG3  GLN  13           HG3      GLN  13 -12.460  23.656  -0.742
   95   HE21  GLN  13          HE21      GLN  13 -15.280  22.284  -2.536
   96   HE22  GLN  13          HE22      GLN  13 -14.372  22.062  -1.090
   97    H    LYS  14           H        LYS  14 -14.225  24.380   3.706
   98    HA   LYS  14           HA       LYS  14 -15.734  26.759   4.288
   99    HB2  LYS  14           HB2      LYS  14 -14.703  24.761   6.381
  100    HB3  LYS  14           HB3      LYS  14 -15.927  26.037   6.594
  101    HG2  LYS  14           HG2      LYS  14 -17.315  24.762   4.756
  102    HG3  LYS  14           HG3      LYS  14 -16.138  23.441   4.959
  103    HD2  LYS  14           HD2      LYS  14 -16.664  23.700   7.553
  104    HD3  LYS  14           HD3      LYS  14 -18.098  24.590   6.996
  105    HE2  LYS  14           HE2      LYS  14 -18.824  22.279   7.259
  106    HE3  LYS  14           HE3      LYS  14 -18.639  22.520   5.500
  107    HZ1  LYS  14           HZ1      LYS  14 -16.187  21.533   6.648
  108    H    ASP  15           H        ASP  15 -12.561  25.411   5.499
  109    HA   ASP  15           HA       ASP  15 -12.019  27.506   7.249
  110    HB2  ASP  15           H32      ASP  15 -10.673  25.334   6.952
  111    HB3  ASP  15           H33      ASP  15  -9.816  26.098   5.603
  112    H    GLU  16           H        GLU  16 -11.318  27.275   3.695
  113    HA   GLU  16           HA       GLU  16  -9.786  29.713   3.607
  114    HB2  GLU  16           HB2      GLU  16 -11.333  28.278   1.378
  115    HB3  GLU  16           HB3      GLU  16 -10.246  29.663   1.112
  116    HG2  GLU  16           HG2      GLU  16  -8.313  28.413   2.041
  117    HG3  GLU  16           HG3      GLU  16  -9.326  26.982   2.320
  118    H    GLN  17           H        GLN  17 -13.344  28.997   3.143
  119    HA   GLN  17           HA       GLN  17 -14.025  31.688   2.422
  120    HB2  GLN  17           H42      GLN  17 -15.556  29.678   2.271
  121    HB3  GLN  17           H43      GLN  17 -15.721  29.692   4.047
  122    HG2  GLN  17           H32      GLN  17 -16.702  32.008   3.908
  123    HG3  GLN  17           H33      GLN  17 -16.539  31.972   2.133
  124   HE21  GLN  17           H61      GLN  17 -20.040  31.064   2.581
  125   HE22  GLN  17           H62      GLN  17 -19.032  32.458   2.557
  126    H    ARG  18           H        ARG  18 -13.545  30.024   5.594
  127    HA   ARG  18           HA       ARG  18 -14.425  32.353   7.131
  128    HB2  ARG  18           H42      ARG  18 -12.993  29.745   7.907
  129    HB3  ARG  18           H43      ARG  18 -13.583  30.931   9.078
  130    HG2  ARG  18           H33      ARG  18 -15.891  30.598   8.484
  131    HG3  ARG  18           H32      ARG  18 -15.492  29.723   6.987
  132    HD2  ARG  18           H52      ARG  18 -14.558  27.838   8.233
  133    HD3  ARG  18           H53      ARG  18 -14.943  28.656   9.794
  134    HE   ARG  18           H10      ARG  18 -17.335  28.537   8.209
  135   HH11  ARG  18           H71      ARG  18 -18.885  26.941   8.588
  136   HH12  ARG  18           H72      ARG  18 -18.464  25.483   9.412
  137   HH21  ARG  18           H81      ARG  18 -15.104  26.322   9.877
  138   HH22  ARG  18           H82      ARG  18 -16.340  25.108  10.126
  139    H    ALA  19           H        ALA  19 -11.365  31.367   5.734
  140    HA   ALA  19           HA       ALA  19  -9.767  33.135   7.440
  141    HB1  ALA  19           H21      ALA  19  -8.714  31.123   6.387
  142    HB2  ALA  19           H22      ALA  19  -9.042  31.792   4.765
  143    HB3  ALA  19           H23      ALA  19  -7.916  32.629   5.862
  144    H    LYS  20           H        LYS  20 -11.231  33.058   4.068
  145    HA   LYS  20           HA       LYS  20 -10.371  35.635   3.295
  146    HB2  LYS  20           H42      LYS  20 -11.505  34.055   1.728
  147    HB3  LYS  20           H43      LYS  20 -13.009  34.189   2.672
  148    HG2  LYS  20           H23      LYS  20 -13.207  36.609   2.075
  149    HG3  LYS  20           H22      LYS  20 -11.605  36.561   1.306
  150    HD2  LYS  20           H33      LYS  20 -13.316  36.535  -0.433
  151    HD3  LYS  20           H32      LYS  20 -12.471  34.970  -0.433
  152    HE2  LYS  20           H53      LYS  20 -14.413  33.937   0.806
  153    HE3  LYS  20           H52      LYS  20 -15.204  35.530   0.898
  154    HZ1  LYS  20           H71      LYS  20 -14.525  34.044  -1.648
  155    HZ2  LYS  20           H72      LYS  20 -16.114  34.139  -0.899
  156    HZ3  LYS  20           H73      LYS  20 -15.359  35.590  -1.536
  157    H    LEU  21           H        LEU  21 -13.119  34.507   5.470
  158    HA   LEU  21           HA       LEU  21 -14.051  37.185   5.940
  159    HB2  LEU  21           HB2      LEU  21 -13.984  34.893   7.979
  160    HB3  LEU  21           HB3      LEU  21 -14.676  36.493   8.255
  161    HG   LEU  21           HG       LEU  21 -15.730  34.489   6.174
  162   HD11  LEU  21          HD11      LEU  21 -17.558  34.144   7.887
  163   HD12  LEU  21          HD12      LEU  21 -15.961  33.683   8.537
  164   HD13  LEU  21          HD13      LEU  21 -16.701  35.241   9.009
  165   HD21  LEU  21          HD21      LEU  21 -16.880  37.135   7.268
  166   HD22  LEU  21          HD22      LEU  21 -16.354  36.845   5.585
  167   HD23  LEU  21          HD23      LEU  21 -17.770  35.984   6.238
  168    H    PHE  22           H        PHE  22 -11.694  35.056   7.891
  169    HA   PHE  22           HA       PHE  22 -11.116  36.754   9.798
  170    HB2  PHE  22           HB2      PHE  22  -9.865  34.633   9.597
  171    HB3  PHE  22           HB3      PHE  22  -8.918  35.265   8.255
  172    HD1  PHE  22           HD1      PHE  22  -6.849  36.388   8.724
  173    HD2  PHE  22           HD2      PHE  22  -9.830  36.190  11.827
  174    HE1  PHE  22           HE1      PHE  22  -5.160  37.071  10.394
  175    HE2  PHE  22           HE2      PHE  22  -8.158  36.951  13.476
  176    HZ   PHE  22           HZ       PHE  22  -5.792  37.272  12.791
  177    H    ILE  23           H        ILE  23  -9.225  37.037   6.685
  178    HA   ILE  23           HA       ILE  23  -8.034  39.446   7.737
  179    HB   ILE  23           HB       ILE  23  -6.932  37.839   6.073
  180   HG12  ILE  23          HG12      ILE  23  -5.763  39.632   4.725
  181   HG13  ILE  23          HG13      ILE  23  -6.889  40.834   5.387
  182   HG21  ILE  23          HG21      ILE  23  -8.596  39.379   3.984
  183   HG22  ILE  23          HG22      ILE  23  -7.375  38.120   3.663
  184   HG23  ILE  23          HG23      ILE  23  -8.900  37.684   4.463
  185   HD11  ILE  23          HD11      ILE  23  -5.964  40.405   7.707
  186   HD12  ILE  23          HD12      ILE  23  -4.998  39.049   7.067
  187   HD13  ILE  23          HD13      ILE  23  -4.637  40.728   6.577
  188    H    GLU  24           H        GLU  24 -10.822  38.922   5.417
  189    HA   GLU  24           HA       GLU  24 -10.930  41.778   4.828
  190    HB2  GLU  24           HB2      GLU  24 -13.063  39.601   4.493
  191    HB3  GLU  24           HB3      GLU  24 -13.297  41.313   4.053
  192    HG2  GLU  24           HG2      GLU  24 -11.391  41.178   2.426
  193    HG3  GLU  24           HG3      GLU  24 -11.096  39.489   2.910
  194    H    TRP  25           H        TRP  25 -13.004  39.573   6.870
  195    HA   TRP  25           HA       TRP  25 -14.368  41.301   8.452
  196    HB2  TRP  25           HB2      TRP  25 -14.309  38.831   8.798
  197    HB3  TRP  25           HB3      TRP  25 -12.629  38.906   9.366
  198    HD1  TRP  25           HD1      TRP  25 -15.957  40.543  10.401
  199    HE1  TRP  25           HE1      TRP  25 -16.135  40.399  12.930
  200    HE3  TRP  25           HE3      TRP  25 -11.313  38.579  11.470
  201    HZ2  TRP  25           HZ2      TRP  25 -14.707  39.440  15.063
  202    HZ3  TRP  25           HZ3      TRP  25 -10.729  38.234  13.866
  203    HH2  TRP  25           HH2      TRP  25 -12.446  38.537  15.636
  204    H    LEU  26           H        LEU  26 -10.760  40.623   8.905
  205    HA   LEU  26           HA       LEU  26 -10.664  42.329  11.188
  206    HB2  LEU  26           HB2      LEU  26  -8.375  41.595   9.288
  207    HB3  LEU  26           HB3      LEU  26  -8.217  42.694  10.679
  208    HG   LEU  26           HG       LEU  26  -8.925  39.701  10.867
  209   HD11  LEU  26          HD11      LEU  26  -6.553  40.148  10.280
  210   HD12  LEU  26          HD12      LEU  26  -6.404  41.297  11.644
  211   HD13  LEU  26          HD13      LEU  26  -6.684  39.576  11.965
  212   HD21  LEU  26          HD21      LEU  26 -10.091  40.781  12.717
  213   HD22  LEU  26          HD22      LEU  26  -8.637  39.993  13.337
  214   HD23  LEU  26          HD23      LEU  26  -8.636  41.771  13.084
  215    H    AIB  27           H        ALA  27  -9.823  42.831   7.672
  216   HB11  AIB  27           H21      ALA  27  -8.623  46.662   7.483
  217   HB12  AIB  27           H22      ALA  27  -8.905  46.010   9.113
  218   HB13  AIB  27           H23      ALA  27  -7.886  45.109   7.971
  219   HB21  AIB  27           H31      ALA  27  -8.894  44.168   5.757
  220   HB22  AIB  27           H32      ALA  27 -10.658  44.167   5.521
  221   HB23  AIB  27           H33      ALA  27  -9.758  45.694   5.427
  222    H    ALA  28           H        ALA  28 -12.513  44.123   7.479
  223    HA   ALA  28           HA       ALA  28 -13.846  46.599   7.040
  224    HB1  ALA  28           H21      ALA  28 -14.776  43.980   8.405
  225    HB2  ALA  28           H22      ALA  28 -15.852  45.378   8.174
  226    HB3  ALA  28           H23      ALA  28 -15.137  44.550   6.763
  227    H    GLY  29           H        GLY  29 -13.221  44.725  10.061
  228    HA2  GLY  29           HA2      GLY  29 -12.162  46.482  11.732
  229    HA3  GLY  29           HA3      GLY  29 -13.818  47.136  11.713
  230    H    GLY  30           H        GLY  30 -12.231  43.873  11.857
  231    HA2  GLY  30           HA2      GLY  30 -13.222  41.971  12.882
  232    HA3  GLY  30           HA3      GLY  30 -12.214  42.815  14.042
  233    HA   PRO  31           HA       PRO  31 -16.282  41.952  16.082
  234    HB2  PRO  31           HB2      PRO  31 -14.744  43.102  18.469
  235    HB3  PRO  31           HB3      PRO  31 -15.828  41.681  18.400
  236    HG2  PRO  31           HG2      PRO  31 -13.111  41.317  18.391
  237    HG3  PRO  31           HG3      PRO  31 -14.174  40.362  17.309
  238    HD2  PRO  31           HD2      PRO  31 -12.457  42.802  16.523
  239    HD3  PRO  31           HD3      PRO  31 -12.665  41.228  15.703
  240    HA   PRO  32           HA       PRO  32 -16.696  46.694  17.430
  241    HB2  PRO  32           HB2      PRO  32 -14.938  47.506  15.026
  242    HB3  PRO  32           HB3      PRO  32 -15.382  48.506  16.450
  243    HG2  PRO  32           HG2      PRO  32 -12.991  47.285  16.518
  244    HG3  PRO  32           HG3      PRO  32 -14.074  47.042  17.925
  245    HD2  PRO  32           HD3      PRO  32 -13.627  45.153  15.573
  246    HD3  PRO  32           HD2      PRO  32 -13.625  44.774  17.333
  247    H    SER  33           H        SER  33 -16.398  45.441  13.984
  248    HA   SER  33           HA       SER  33 -18.664  47.019  13.088
  249    HB2  SER  33           HB2      SER  33 -17.532  44.469  11.851
  250    HB3  SER  33           HB3      SER  33 -18.505  45.729  11.021
  251    HG   SER  33           HG       SER  33 -16.164  46.038  10.694
  252    H    AIB  34           H        AIB  34 -18.675  44.273  15.198
  253   HB11  AIB  34           H31      AIB  34 -22.684  43.481  15.531
  254   HB12  AIB  34           H32      AIB  34 -21.702  44.887  16.018
  255   HB13  AIB  34           H33      AIB  34 -22.245  44.715  14.331
  256   HB21  AIB  34           H21      AIB  34 -19.292  41.947  16.005
  257   HB22  AIB  34           H22      AIB  34 -20.073  43.191  17.012
  258   HB23  AIB  34           H23      AIB  34 -21.027  41.819  16.386
  259    H    LYS  35           H        LYS  35 -18.672  42.134  13.652
  260    HA   LYS  35           HA       LYS  35 -20.562  40.494  11.999
  261    HB2  LYS  35           H42      LYS  35 -17.888  41.823  11.309
  262    HB3  LYS  35           H43      LYS  35 -18.601  40.540  10.300
  263    HG2  LYS  35           H23      LYS  35 -20.615  41.893   9.891
  264    HG3  LYS  35           H22      LYS  35 -20.042  43.171  10.983
  265    HD2  LYS  35           H33      LYS  35 -18.131  43.647   9.464
  266    HD3  LYS  35           H32      LYS  35 -18.607  42.322   8.399
  267    HE2  LYS  35           H53      LYS  35 -20.742  43.489   7.885
  268    HE3  LYS  35           H52      LYS  35 -20.358  44.771   9.036
  269    HZ1  LYS  35           H71      LYS  35 -18.414  45.405   7.700
  270    HZ2  LYS  35           H72      LYS  35 -18.750  44.082   6.570
  271    HZ3  LYS  35           H73      LYS  35 -19.887  45.432   6.720
  272    HA   PRO  36           HA       PRO  36 -18.826  37.561  14.573
  273    HB2  PRO  36           HB2      PRO  36 -18.926  35.125  13.160
  274    HB3  PRO  36           HB3      PRO  36 -20.385  36.079  13.566
  275    HG2  PRO  36           HG2      PRO  36 -18.784  36.224  10.974
  276    HG3  PRO  36           HG3      PRO  36 -20.524  35.831  11.126
  277    HD2  PRO  36           HD2      PRO  36 -19.773  38.403  10.604
  278    HD3  PRO  36           HD3      PRO  36 -21.038  38.122  11.861
  279    HA   PRO  37           HA       PRO  37 -14.451  36.731  13.679
  280    HB2  PRO  37           HB2      PRO  37 -13.834  34.804  15.591
  281    HB3  PRO  37           HB3      PRO  37 -14.416  36.420  16.076
  282    HG2  PRO  37           HG2      PRO  37 -16.143  33.922  15.647
  283    HG3  PRO  37           HG3      PRO  37 -15.995  34.838  17.180
  284    HD2  PRO  37           HD2      PRO  37 -18.027  35.383  15.433
  285    HD3  PRO  37           HD3      PRO  37 -17.164  36.767  16.208
  286    HA   PRO  38           HA       PRO  38 -14.321  33.449  10.703
  287    HB2  PRO  38           HB2      PRO  38 -12.309  31.933  12.478
  288    HB3  PRO  38           HB3      PRO  38 -12.251  32.135  10.700
  289    HG2  PRO  38           HG2      PRO  38 -10.721  33.803  12.113
  290    HG3  PRO  38           HG3      PRO  38 -11.868  34.554  10.947
  291    HD2  PRO  38           HD2      PRO  38 -12.288  34.201  13.951
  292    HD3  PRO  38           HD3      PRO  38 -12.451  35.723  12.986
  293    H    LYS  39           H        LYS  39 -14.513  32.208  14.123
  294    HA   LYS  39           HA       LYS  39 -16.425  30.083  13.148
  295    HB2  LYS  39           H42      LYS  39 -14.789  30.126  15.731
  296    HB3  LYS  39           H43      LYS  39 -15.829  28.814  15.120
  297    HG2  LYS  39           H23      LYS  39 -14.318  28.552  13.121
  298    HG3  LYS  39           H22      LYS  39 -13.274  29.851  13.740
  299    HD2  LYS  39           H33      LYS  39 -12.789  28.523  15.792
  300    HD3  LYS  39           H32      LYS  39 -13.825  27.203  15.212
  301    HE2  LYS  39           H53      LYS  39 -12.325  26.932  13.208
  302    HE3  LYS  39           H52      LYS  39 -11.307  28.259  13.792
  303    HZ1  LYS  39           H71      LYS  39 -10.826  26.966  15.830
  304    HZ2  LYS  39           H73      LYS  39 -10.320  26.119  14.368
  305    HZ3  LYS  39           H72      LYS  39 -11.798  25.630  15.200
  306    HN1  NH2  40           H11      LYS  39 -18.469  32.799  14.582
  307    HN2  NH2  40           H12      LYS  39 -17.507  32.607  13.168
  308    H93  EVT 101           H93      XXX  40 -13.170  21.789   8.546
  309    H92  EVT 101           H92      XXX  40 -13.283  22.152  10.288
  310   H103  EVT 101          H103      XXX  40 -12.161  19.546   9.095
  311   H102  EVT 101          H102      XXX  40 -11.193  20.893   9.736
  312    H11  EVT 101           H11      XXX  40 -13.247  19.254  11.332
  313   H122  EVT 101          H122      XXX  40 -11.668  22.284  14.369
  314   H123  EVT 101          H123      XXX  40 -13.378  22.761  14.265
  315   H133  EVT 101          H133      XXX  40 -13.957  20.997  15.967
  316   H132  EVT 101          H132      XXX  40 -12.691  22.094  16.579
  317   H143  EVT 101          H143      XXX  40 -10.919  20.431  15.911
  318   H142  EVT 101          H142      XXX  40 -12.185  19.337  15.294
  319   H153  EVT 101          H153      XXX  40 -13.140  19.107  17.586
  320   H152  EVT 101          H152      XXX  40 -11.862  20.168  18.248
  321    H6   EVT 101           H6       XXX  40 -14.307  19.545   7.891
  322   H163  EVT 101          H163      XXX  40 -10.096  18.589  17.474
  323   H162  EVT 101          H162      XXX  40 -11.338  17.586  16.690
  324   H173  EVT 101          H173      XXX  40 -12.339  17.025  18.929
  325   H172  EVT 101          H172      XXX  40 -11.163  18.113  19.705
  326   H183  EVT 101          H183      XXX  40 -10.412  15.772  19.984
  327   H182  EVT 101          H182      XXX  40  -9.283  16.643  18.922
  328   H193  EVT 101          H193      XXX  40 -10.426  15.545  16.912
  329   H192  EVT 101          H192      XXX  40 -11.496  14.669  18.036
  330   H203  EVT 101          H203      XXX  40  -9.447  13.538  19.021
  331   H202  EVT 101          H202      XXX  40  -8.419  14.464  17.891
  332   H213  EVT 101          H213      XXX  40  -9.675  13.436  15.946
  333   H212  EVT 101          H212      XXX  40 -10.596  12.435  17.100
  334   H223  EVT 101          H223      XXX  40  -8.464  11.328  17.834
  335   H222  EVT 101          H222      XXX  40  -7.521  12.388  16.760
  336    H25  EVT 101           H25      XXX  40 -11.337  21.416  12.193
  337   H293  EVT 101          H293      XXX  40  -8.726  11.487  14.772
  338   H292  EVT 101          H292      XXX  40  -9.672  10.386  15.809
  339   H303  EVT 101          H303      XXX  40  -7.519   9.293  16.566
  340   H302  EVT 101          H302      XXX  40  -6.614  10.349  15.453
  341   H313  EVT 101          H313      XXX  40  -8.708   8.211  14.671
  342   H312  EVT 101          H312      XXX  40  -6.944   8.125  14.456
  343   H321  EVT 101          H321      XXX  40  -8.932   9.970  12.965
  344   H323  EVT 101          H323      XXX  40  -7.905   8.700  12.272
  345   H322  EVT 101          H322      XXX  40  -7.159  10.197  12.894
  346   H353  EVT 101          H353      XXX  40 -15.563  19.360   5.825
  347   H352  EVT 101          H352      XXX  40 -16.849  18.274   5.275
  348   H363  EVT 101          H363      XXX  40 -15.710  17.415   7.337
  349   H362  EVT 101          H362      XXX  40 -17.465  17.655   7.530
  350    H37  EVT 101           H37      XXX  40 -17.057  19.800   8.734
  Start of MODEL    7
    1    H1   HIS   1           H1       HIS   1  -9.715   3.879   1.710
    2    H2   HIS   1           H2       HIS   1 -10.664   2.433   1.460
    3    H3   HIS   1           H3       HIS   1 -10.979   3.855   0.518
    4    HA   HIS   1           HA       HIS   1 -12.680   3.605   2.236
    5    HB2  HIS   1           HB2      HIS   1 -11.399   2.329   3.921
    6    HB3  HIS   1           HB3      HIS   1 -10.276   3.686   4.147
    7    HD1  HIS   1           HD1      HIS   1 -14.080   3.344   4.322
    8    HD2  HIS   1           HD2      HIS   1 -10.803   4.881   6.460
    9    HE1  HIS   1           HE1      HIS   1 -15.053   4.407   6.395
   10    H    AIB   2           H        AIB   2 -13.692   5.614   3.095
   11   HB11  AIB   2           H31      AIB   2 -14.330   9.180   3.480
   12   HB12  AIB   2           H32      AIB   2 -15.166   7.682   2.986
   13   HB13  AIB   2           H33      AIB   2 -14.292   7.743   4.538
   14   HB21  AIB   2           H21      AIB   2 -13.190   9.097   1.183
   15   HB22  AIB   2           H22      AIB   2 -12.111   7.741   0.759
   16   HB23  AIB   2           H23      AIB   2 -13.877   7.497   0.780
   17    H    GLN   3           H        GLN   3 -12.019   7.063   5.151
   18    HA   GLN   3           HA       GLN   3 -10.442   8.085   6.528
   19    HB2  GLN   3           H42      GLN   3  -8.967   8.454   3.861
   20    HB3  GLN   3           H43      GLN   3  -8.239   8.639   5.472
   21    HG2  GLN   3           H32      GLN   3  -8.664   6.263   6.006
   22    HG3  GLN   3           H33      GLN   3  -9.574   6.043   4.494
   23   HE21  GLN   3           H61      GLN   3  -5.434   6.276   4.377
   24   HE22  GLN   3           H62      GLN   3  -6.261   6.902   5.753
   25    H    GLY   4           H        GLY   4 -12.717   9.578   5.986
   26    HA2  GLY   4           HA2      GLY   4 -13.492  11.749   6.057
   27    HA3  GLY   4           HA3      GLY   4 -11.959  12.060   6.908
   28    H    THR   5           H        THR   5 -12.512  11.161   3.382
   29    HA   THR   5           HA       THR   5 -10.772  13.354   2.595
   30    HB   THR   5           HB       THR   5 -12.629  11.609   0.891
   31    HG1  THR   5           HG1      THR   5 -10.579  10.497   0.536
   32   HG21  THR   5          HG21      THR   5 -10.353  13.539   0.079
   33   HG22  THR   5          HG22      THR   5 -11.154  12.384  -1.021
   34   HG23  THR   5          HG23      THR   5 -12.085  13.729  -0.318
   35    H    PHE   6           H        PHE   6 -14.387  12.742   2.265
   36    HA   PHE   6           HA       PHE   6 -14.732  15.266   0.941
   37    HB2  PHE   6           HB2      PHE   6 -16.407  13.526   0.566
   38    HB3  PHE   6           HB3      PHE   6 -16.756  13.406   2.304
   39    HD1  PHE   6           HD1      PHE   6 -18.717  14.558   3.039
   40    HD2  PHE   6           HD2      PHE   6 -16.592  16.121  -0.367
   41    HE1  PHE   6           HE1      PHE   6 -20.518  16.201   2.662
   42    HE2  PHE   6           HE2      PHE   6 -18.320  17.866  -0.637
   43    HZ   PHE   6           HZ       PHE   6 -20.313  17.884   0.845
   44    H    THR   7           H        THR   7 -15.377  14.204   4.405
   45    HA   THR   7           HA       THR   7 -16.390  16.719   5.161
   46    HB   THR   7           HB       THR   7 -16.393  14.615   6.638
   47    HG1  THR   7           HG1      THR   7 -16.914  16.729   7.515
   48   HG21  THR   7          HG21      THR   7 -13.901  14.111   6.448
   49   HG22  THR   7          HG22      THR   7 -13.560  15.573   7.420
   50   HG23  THR   7          HG23      THR   7 -14.462  14.218   8.136
   51    H    SER   8           H        SER   8 -12.958  15.593   4.717
   52    HA   SER   8           HA       SER   8 -11.830  17.886   6.008
   53    HB2  SER   8           HB2      SER   8 -10.450  15.889   5.554
   54    HB3  SER   8           HB3      SER   8 -10.633  16.116   3.795
   55    HG   SER   8           HG       SER   8  -9.480  18.175   4.132
   56    H    ASP   9           H        ASP   9 -12.882  17.178   2.555
   57    HA   ASP   9           HA       ASP   9 -11.719  19.574   1.535
   58    HB2  ASP   9           HB2      ASP   9 -14.172  18.023   0.489
   59    HB3  ASP   9           HB3      ASP   9 -13.279  19.278  -0.410
   60    H    LEU  10           H        LEU  10 -15.102  18.828   2.822
   61    HA   LEU  10           HA       LEU  10 -16.053  21.464   2.558
   62    HB2  LEU  10           HB2      LEU  10 -16.539  19.441   4.840
   63    HB3  LEU  10           HB3      LEU  10 -17.373  21.006   4.752
   64    HG   LEU  10           HG       LEU  10 -17.603  18.810   2.598
   65   HD11  LEU  10          HD11      LEU  10 -19.466  19.577   4.935
   66   HD12  LEU  10          HD12      LEU  10 -19.903  18.468   3.613
   67   HD13  LEU  10          HD13      LEU  10 -18.585  18.030   4.729
   68   HD21  LEU  10          HD21      LEU  10 -19.169  21.429   3.066
   69   HD22  LEU  10          HD22      LEU  10 -18.117  21.089   1.661
   70   HD23  LEU  10          HD23      LEU  10 -19.620  20.178   1.879
   71    H    SER  11           H        SER  11 -14.125  19.982   5.310
   72    HA   SER  11           HA       SER  11 -14.199  22.394   6.815
   73    HB2  SER  11           HB2      SER  11 -12.085  20.160   6.831
   74    HB3  SER  11           HB3      SER  11 -12.165  21.489   8.007
   75    HG   SER  11           HG       SER  11 -14.271  19.581   7.638
   76    H    LYS  12           H        LYS  12 -12.097  21.421   4.042
   77    HA   LYS  12           HA       LYS  12 -10.277  23.666   4.481
   78    HB2  LYS  12           HB2      LYS  12 -10.811  21.968   1.978
   79    HB3  LYS  12           HB3      LYS  12  -9.622  23.290   2.052
   80    HG2  LYS  12           HG2      LYS  12  -8.346  22.161   3.809
   81    HG3  LYS  12           HG3      LYS  12  -9.535  20.847   3.932
   82    HD2  LYS  12           HD2      LYS  12  -9.079  20.095   1.654
   83    HD3  LYS  12           HD3      LYS  12  -7.981  21.462   1.338
   84    HE2  LYS  12           HE2      LYS  12  -7.455  19.330   3.503
   85    HE3  LYS  12           HE3      LYS  12  -6.867  19.202   1.827
   86    HZ1  LYS  12           HZ1      LYS  12  -5.578  21.271   2.116
   87    HZ2  LYS  12           HZ2      LYS  12  -6.093  21.401   3.777
   88    HZ3  LYS  12           HZ3      LYS  12  -5.119  20.065   3.265
   89    H    GLN  13           H        GLN  13 -13.301  23.037   2.499
   90    HA   GLN  13           HA       GLN  13 -13.353  25.585   1.246
   91    HB2  GLN  13           HB2      GLN  13 -15.734  23.886   2.223
   92    HB3  GLN  13           HB3      GLN  13 -15.873  25.360   1.240
   93    HG2  GLN  13           HG2      GLN  13 -14.520  24.244  -0.581
   94    HG3  GLN  13           HG3      GLN  13 -14.511  22.746   0.380
   95   HE21  GLN  13          HE21      GLN  13 -17.283  22.251  -1.948
   96   HE22  GLN  13          HE22      GLN  13 -15.560  22.327  -2.031
   97    H    LYS  14           H        LYS  14 -14.589  24.497   4.516
   98    HA   LYS  14           HA       LYS  14 -15.808  27.006   5.095
   99    HB2  LYS  14           HB2      LYS  14 -14.667  25.041   7.178
  100    HB3  LYS  14           HB3      LYS  14 -15.747  26.427   7.461
  101    HG2  LYS  14           HG2      LYS  14 -17.416  25.228   5.826
  102    HG3  LYS  14           HG3      LYS  14 -16.378  23.792   6.004
  103    HD2  LYS  14           HD2      LYS  14 -16.629  24.078   8.571
  104    HD3  LYS  14           HD3      LYS  14 -17.872  25.300   8.197
  105    HE2  LYS  14           HE2      LYS  14 -19.154  23.297   8.463
  106    HE3  LYS  14           HE3      LYS  14 -18.964  23.372   6.691
  107    HZ1  LYS  14           HZ1      LYS  14 -16.798  21.861   7.713
  108    H    ASP  15           H        ASP  15 -12.586  25.525   6.037
  109    HA   ASP  15           HA       ASP  15 -11.706  27.664   7.539
  110    HB2  ASP  15           H32      ASP  15 -10.432  25.489   7.244
  111    HB3  ASP  15           H33      ASP  15  -9.875  26.042   5.653
  112    H    GLU  16           H        GLU  16 -11.395  27.180   3.937
  113    HA   GLU  16           HA       GLU  16  -9.857  29.554   3.532
  114    HB2  GLU  16           HB2      GLU  16 -11.613  27.937   1.610
  115    HB3  GLU  16           HB3      GLU  16 -10.701  29.381   1.095
  116    HG2  GLU  16           HG2      GLU  16  -8.555  28.360   1.750
  117    HG3  GLU  16           HG3      GLU  16  -9.394  26.955   2.452
  118    H    GLN  17           H        GLN  17 -13.502  29.041   3.391
  119    HA   GLN  17           HA       GLN  17 -13.920  31.780   2.572
  120    HB2  GLN  17           H42      GLN  17 -15.664  29.975   2.332
  121    HB3  GLN  17           H43      GLN  17 -15.868  29.965   4.101
  122    HG2  GLN  17           H32      GLN  17 -16.487  32.461   3.970
  123    HG3  GLN  17           H33      GLN  17 -16.371  32.368   2.201
  124   HE21  GLN  17           H61      GLN  17 -19.374  30.347   1.836
  125   HE22  GLN  17           H62      GLN  17 -17.832  30.584   1.104
  126    H    ARG  18           H        ARG  18 -13.901  30.086   5.770
  127    HA   ARG  18           HA       ARG  18 -14.472  32.420   7.330
  128    HB2  ARG  18           H42      ARG  18 -13.069  29.764   8.039
  129    HB3  ARG  18           H43      ARG  18 -13.449  31.047   9.206
  130    HG2  ARG  18           H33      ARG  18 -15.871  30.852   8.700
  131    HG3  ARG  18           H32      ARG  18 -15.564  29.577   7.497
  132    HD2  ARG  18           H52      ARG  18 -14.755  28.024   9.221
  133    HD3  ARG  18           H53      ARG  18 -14.741  29.355  10.427
  134    HE   ARG  18           H10      ARG  18 -17.398  29.020   9.325
  135   HH11  ARG  18           H71      ARG  18 -18.987  28.162  10.669
  136   HH12  ARG  18           H72      ARG  18 -18.563  27.203  12.040
  137   HH21  ARG  18           H81      ARG  18 -15.108  27.437  11.555
  138   HH22  ARG  18           H82      ARG  18 -16.390  26.817  12.577
  139    H    ALA  19           H        ALA  19 -11.483  31.341   5.781
  140    HA   ALA  19           HA       ALA  19  -9.778  33.048   7.449
  141    HB1  ALA  19           H21      ALA  19  -8.793  30.995   6.447
  142    HB2  ALA  19           H22      ALA  19  -9.142  31.609   4.806
  143    HB3  ALA  19           H23      ALA  19  -7.974  32.464   5.845
  144    H    LYS  20           H        LYS  20 -11.223  33.010   4.069
  145    HA   LYS  20           HA       LYS  20 -10.260  35.547   3.289
  146    HB2  LYS  20           H42      LYS  20 -11.497  34.068   1.716
  147    HB3  LYS  20           H43      LYS  20 -12.971  34.211   2.713
  148    HG2  LYS  20           H23      LYS  20 -13.181  36.612   2.182
  149    HG3  LYS  20           H22      LYS  20 -11.595  36.605   1.365
  150    HD2  LYS  20           H33      LYS  20 -13.431  36.599  -0.292
  151    HD3  LYS  20           H32      LYS  20 -12.474  35.102  -0.420
  152    HE2  LYS  20           H53      LYS  20 -14.240  33.819   0.772
  153    HE3  LYS  20           H52      LYS  20 -15.150  35.317   1.104
  154    HZ1  LYS  20           H71      LYS  20 -16.071  34.046  -0.782
  155    HZ2  LYS  20           H72      LYS  20 -15.493  35.625  -1.297
  156    HZ3  LYS  20           H73      LYS  20 -14.538  34.184  -1.637
  157    H    LEU  21           H        LEU  21 -13.091  34.569   5.428
  158    HA   LEU  21           HA       LEU  21 -13.906  37.273   5.893
  159    HB2  LEU  21           HB2      LEU  21 -13.966  34.932   7.893
  160    HB3  LEU  21           HB3      LEU  21 -14.581  36.556   8.217
  161    HG   LEU  21           HG       LEU  21 -15.701  34.674   6.072
  162   HD11  LEU  21          HD11      LEU  21 -17.560  34.350   7.707
  163   HD12  LEU  21          HD12      LEU  21 -16.030  33.850   8.463
  164   HD13  LEU  21          HD13      LEU  21 -16.751  35.423   8.881
  165   HD21  LEU  21          HD21      LEU  21 -17.679  36.316   6.170
  166   HD22  LEU  21          HD22      LEU  21 -16.687  37.400   7.177
  167   HD23  LEU  21          HD23      LEU  21 -16.211  37.055   5.491
  168    H    PHE  22           H        PHE  22 -11.643  35.055   7.808
  169    HA   PHE  22           HA       PHE  22 -11.114  36.711   9.771
  170    HB2  PHE  22           HB2      PHE  22  -9.967  34.469   9.481
  171    HB3  PHE  22           HB3      PHE  22  -8.894  35.187   8.283
  172    HD1  PHE  22           HD1      PHE  22  -6.867  34.584   9.386
  173    HD2  PHE  22           HD2      PHE  22  -9.814  36.771  11.634
  174    HE1  PHE  22           HE1      PHE  22  -5.182  35.120  11.103
  175    HE2  PHE  22           HE2      PHE  22  -8.095  37.431  13.249
  176    HZ   PHE  22           HZ       PHE  22  -5.764  36.614  13.001
  177    H    ILE  23           H        ILE  23  -9.130  36.971   6.718
  178    HA   ILE  23           HA       ILE  23  -7.999  39.416   7.741
  179    HB   ILE  23           HB       ILE  23  -6.836  37.896   6.056
  180   HG12  ILE  23          HG12      ILE  23  -5.786  39.715   4.698
  181   HG13  ILE  23          HG13      ILE  23  -7.030  40.865   5.241
  182   HG21  ILE  23          HG21      ILE  23  -8.649  39.274   3.985
  183   HG22  ILE  23          HG22      ILE  23  -7.350  38.098   3.662
  184   HG23  ILE  23          HG23      ILE  23  -8.828  37.572   4.491
  185   HD11  ILE  23          HD11      ILE  23  -5.083  39.374   7.127
  186   HD12  ILE  23          HD12      ILE  23  -4.795  41.006   6.464
  187   HD13  ILE  23          HD13      ILE  23  -6.149  40.743   7.579
  188    H    GLU  24           H        GLU  24 -10.792  38.817   5.450
  189    HA   GLU  24           HA       GLU  24 -10.946  41.642   4.807
  190    HB2  GLU  24           HB2      GLU  24 -13.073  39.435   4.578
  191    HB3  GLU  24           HB3      GLU  24 -13.340  41.138   4.124
  192    HG2  GLU  24           HG2      GLU  24 -11.530  41.013   2.434
  193    HG3  GLU  24           HG3      GLU  24 -11.121  39.360   2.949
  194    H    TRP  25           H        TRP  25 -13.056  39.548   6.926
  195    HA   TRP  25           HA       TRP  25 -14.345  41.338   8.488
  196    HB2  TRP  25           HB2      TRP  25 -14.350  38.877   8.856
  197    HB3  TRP  25           HB3      TRP  25 -12.662  38.910   9.423
  198    HD1  TRP  25           HD1      TRP  25 -15.983  40.589  10.451
  199    HE1  TRP  25           HE1      TRP  25 -16.180  40.425  12.985
  200    HE3  TRP  25           HE3      TRP  25 -11.348  38.641  11.521
  201    HZ2  TRP  25           HZ2      TRP  25 -14.768  39.437  15.116
  202    HZ3  TRP  25           HZ3      TRP  25 -10.753  38.313  13.935
  203    HH2  TRP  25           HH2      TRP  25 -12.483  38.568  15.695
  204    H    LEU  26           H        LEU  26 -10.752  40.574   8.941
  205    HA   LEU  26           HA       LEU  26 -10.587  42.337  11.204
  206    HB2  LEU  26           HB2      LEU  26  -8.345  41.517   9.289
  207    HB3  LEU  26           HB3      LEU  26  -8.146  42.643  10.650
  208    HG   LEU  26           HG       LEU  26  -8.822  39.654  10.869
  209   HD11  LEU  26          HD11      LEU  26  -6.441  40.294  10.340
  210   HD12  LEU  26          HD12      LEU  26  -6.405  41.260  11.843
  211   HD13  LEU  26          HD13      LEU  26  -6.626  39.487  11.923
  212   HD21  LEU  26          HD21      LEU  26 -10.075  40.697  12.688
  213   HD22  LEU  26          HD22      LEU  26  -8.588  40.007  13.354
  214   HD23  LEU  26          HD23      LEU  26  -8.696  41.773  13.072
  215    H    AIB  27           H        ALA  27  -9.769  42.742   7.659
  216   HB11  AIB  27           H21      ALA  27  -8.567  46.557   7.381
  217   HB12  AIB  27           H22      ALA  27  -8.817  45.879   9.010
  218   HB13  AIB  27           H23      ALA  27  -7.821  44.990   7.827
  219   HB21  AIB  27           H31      ALA  27  -8.929  44.008   5.690
  220   HB22  AIB  27           H32      ALA  27 -10.701  44.094   5.503
  221   HB23  AIB  27           H33      ALA  27  -9.726  45.574   5.372
  222    H    ALA  28           H        ALA  28 -12.475  44.027   7.524
  223    HA   ALA  28           HA       ALA  28 -13.796  46.501   7.067
  224    HB1  ALA  28           H21      ALA  28 -14.828  44.022   8.641
  225    HB2  ALA  28           H22      ALA  28 -15.816  45.382   8.049
  226    HB3  ALA  28           H23      ALA  28 -14.989  44.296   6.890
  227    H    GLY  29           H        GLY  29 -13.093  44.682  10.108
  228    HA2  GLY  29           HA2      GLY  29 -12.043  46.418  11.778
  229    HA3  GLY  29           HA3      GLY  29 -13.673  47.130  11.725
  230    H    GLY  30           H        GLY  30 -12.185  43.811  11.930
  231    HA2  GLY  30           HA2      GLY  30 -13.254  41.944  12.941
  232    HA3  GLY  30           HA3      GLY  30 -12.248  42.770  14.115
  233    HA   PRO  31           HA       PRO  31 -16.367  41.971  16.054
  234    HB2  PRO  31           HB2      PRO  31 -14.922  43.134  18.481
  235    HB3  PRO  31           HB3      PRO  31 -16.005  41.731  18.389
  236    HG2  PRO  31           HG2      PRO  31 -13.293  41.327  18.464
  237    HG3  PRO  31           HG3      PRO  31 -14.316  40.377  17.358
  238    HD2  PRO  31           HD2      PRO  31 -12.576  42.800  16.595
  239    HD3  PRO  31           HD3      PRO  31 -12.775  41.229  15.774
  240    HA   PRO  32           HA       PRO  32 -16.834  46.723  17.367
  241    HB2  PRO  32           HB2      PRO  32 -14.967  47.517  15.043
  242    HB3  PRO  32           HB3      PRO  32 -15.446  48.534  16.439
  243    HG2  PRO  32           HG2      PRO  32 -13.060  47.277  16.603
  244    HG3  PRO  32           HG3      PRO  32 -14.197  47.047  17.972
  245    HD2  PRO  32           HD3      PRO  32 -13.685  45.130  15.636
  246    HD3  PRO  32           HD2      PRO  32 -13.749  44.772  17.400
  247    H    SER  33           H        SER  33 -16.333  45.404  13.980
  248    HA   SER  33           HA       SER  33 -18.466  46.961  12.848
  249    HB2  SER  33           HB2      SER  33 -17.364  44.249  11.923
  250    HB3  SER  33           HB3      SER  33 -18.312  45.410  10.936
  251    HG   SER  33           HG       SER  33 -15.970  45.697  10.649
  252    H    AIB  34           H        AIB  34 -18.722  44.337  15.145
  253   HB11  AIB  34           H31      AIB  34 -21.803  45.175  15.747
  254   HB12  AIB  34           H32      AIB  34 -22.274  44.857  14.059
  255   HB13  AIB  34           H33      AIB  34 -22.793  43.747  15.337
  256   HB21  AIB  34           H21      AIB  34 -19.498  42.172  16.143
  257   HB22  AIB  34           H22      AIB  34 -20.321  43.492  17.008
  258   HB23  AIB  34           H23      AIB  34 -21.258  42.103  16.391
  259    H    LYS  35           H        LYS  35 -18.745  42.083  13.826
  260    HA   LYS  35           HA       LYS  35 -20.636  40.416  12.224
  261    HB2  LYS  35           H42      LYS  35 -17.955  41.676  11.411
  262    HB3  LYS  35           H43      LYS  35 -18.759  40.389  10.473
  263    HG2  LYS  35           H23      LYS  35 -20.754  41.870  10.146
  264    HG3  LYS  35           H22      LYS  35 -19.973  43.149  11.117
  265    HD2  LYS  35           H33      LYS  35 -18.096  43.295   9.449
  266    HD3  LYS  35           H32      LYS  35 -18.868  42.015   8.472
  267    HE2  LYS  35           H53      LYS  35 -20.885  43.468   8.138
  268    HE3  LYS  35           H52      LYS  35 -20.154  44.743   9.150
  269    HZ1  LYS  35           H71      LYS  35 -18.314  44.953   7.545
  270    HZ2  LYS  35           H72      LYS  35 -19.015  43.680   6.553
  271    HZ3  LYS  35           H73      LYS  35 -19.868  45.203   6.764
  272    HA   PRO  36           HA       PRO  36 -18.739  37.559  14.832
  273    HB2  PRO  36           HB2      PRO  36 -18.918  35.099  13.477
  274    HB3  PRO  36           HB3      PRO  36 -20.361  36.041  13.969
  275    HG2  PRO  36           HG2      PRO  36 -18.926  36.199  11.268
  276    HG3  PRO  36           HG3      PRO  36 -20.639  35.740  11.526
  277    HD2  PRO  36           HD2      PRO  36 -20.041  38.344  10.950
  278    HD3  PRO  36           HD3      PRO  36 -21.168  38.036  12.328
  279    HA   PRO  37           HA       PRO  37 -14.439  36.810  13.652
  280    HB2  PRO  37           HB2      PRO  37 -13.664  34.862  15.527
  281    HB3  PRO  37           HB3      PRO  37 -14.175  36.497  16.024
  282    HG2  PRO  37           HG2      PRO  37 -15.923  33.991  15.827
  283    HG3  PRO  37           HG3      PRO  37 -15.662  34.982  17.290
  284    HD2  PRO  37           HD2      PRO  37 -17.842  35.431  15.668
  285    HD3  PRO  37           HD3      PRO  37 -16.943  36.840  16.350
  286    HA   PRO  38           HA       PRO  38 -14.192  33.631  10.616
  287    HB2  PRO  38           HB2      PRO  38 -12.179  32.170  12.448
  288    HB3  PRO  38           HB3      PRO  38 -12.103  32.298  10.666
  289    HG2  PRO  38           HG2      PRO  38 -10.647  34.091  11.973
  290    HG3  PRO  38           HG3      PRO  38 -11.872  34.736  10.827
  291    HD2  PRO  38           HD2      PRO  38 -12.176  34.450  13.843
  292    HD3  PRO  38           HD3      PRO  38 -12.440  35.934  12.849
  293    H    LYS  39           H        LYS  39 -14.294  32.031  13.946
  294    HA   LYS  39           HA       LYS  39 -15.606  29.691  13.017
  295    HB2  LYS  39           H42      LYS  39 -15.811  31.145  15.718
  296    HB3  LYS  39           H43      LYS  39 -16.680  29.630  15.365
  297    HG2  LYS  39           H23      LYS  39 -14.584  28.426  14.886
  298    HG3  LYS  39           H22      LYS  39 -13.621  29.900  15.179
  299    HD2  LYS  39           H33      LYS  39 -14.329  29.955  17.550
  300    HD3  LYS  39           H32      LYS  39 -15.458  28.593  17.296
  301    HE2  LYS  39           H53      LYS  39 -13.550  27.075  16.747
  302    HE3  LYS  39           H52      LYS  39 -12.397  28.424  16.948
  303    HZ1  LYS  39           H71      LYS  39 -12.533  26.961  18.934
  304    HZ2  LYS  39           H73      LYS  39 -14.229  27.370  19.119
  305    HZ3  LYS  39           H72      LYS  39 -13.001  28.613  19.292
  306    HN1  NH2  40           H11      LYS  39 -18.579  32.576  13.325
  307    HN2  NH2  40           H12      LYS  39 -17.029  32.932  13.976
  308    H93  EVT 101           H93      XXX  40 -12.965  18.280   9.584
  309    H92  EVT 101           H92      XXX  40 -12.625  18.274  11.328
  310   H103  EVT 101          H103      XXX  40 -14.354  16.229   9.822
  311   H102  EVT 101          H102      XXX  40 -12.695  15.964  10.399
  312    H11  EVT 101           H11      XXX  40 -15.072  16.640  12.222
  313   H122  EVT 101          H122      XXX  40 -11.783  16.673  15.224
  314   H123  EVT 101          H123      XXX  40 -13.099  16.392  16.382
  315   H133  EVT 101          H133      XXX  40 -11.539  14.224  14.829
  316   H132  EVT 101          H132      XXX  40 -12.960  13.899  15.864
  317   H143  EVT 101          H143      XXX  40 -11.761  14.763  17.865
  318   H142  EVT 101          H142      XXX  40 -10.327  15.149  16.874
  319   H153  EVT 101          H153      XXX  40  -9.995  12.753  16.329
  320   H152  EVT 101          H152      XXX  40 -11.523  12.322  17.135
  321    H6   EVT 101           H6       XXX  40 -15.630  18.114   9.180
  322   H163  EVT 101          H163      XXX  40 -10.593  13.006  19.348
  323   H162  EVT 101          H162      XXX  40  -9.059  13.488  18.570
  324   H173  EVT 101          H173      XXX  40  -8.665  11.143  17.820
  325   H172  EVT 101          H172      XXX  40 -10.269  10.650  18.414
  326   H183  EVT 101          H183      XXX  40  -8.529   9.869  19.916
  327   H182  EVT 101          H182      XXX  40  -9.592  11.014  20.762
  328   H193  EVT 101          H193      XXX  40  -7.914  12.758  20.753
  329   H192  EVT 101          H192      XXX  40  -6.904  11.908  19.553
  330   H203  EVT 101          H203      XXX  40  -6.400  10.101  21.156
  331   H202  EVT 101          H202      XXX  40  -7.505  10.798  22.368
  332   H213  EVT 101          H213      XXX  40  -6.059  12.799  22.596
  333   H212  EVT 101          H212      XXX  40  -4.970  12.201  21.315
  334   H223  EVT 101          H223      XXX  40  -4.451  10.176  22.698
  335   H222  EVT 101          H222      XXX  40  -5.531  10.765  23.989
  336    H25  EVT 101           H25      XXX  40 -12.251  16.215  12.848
  337   H293  EVT 101          H293      XXX  40  -4.088  12.843  24.198
  338   H292  EVT 101          H292      XXX  40  -2.953  12.153  23.012
  339   H303  EVT 101          H303      XXX  40  -3.690  10.909  25.745
  340   H302  EVT 101          H302      XXX  40  -2.220  11.858  25.403
  341   H313  EVT 101          H313      XXX  40  -1.499  10.125  23.711
  342   H312  EVT 101          H312      XXX  40  -2.924   9.137  24.150
  343   H321  EVT 101          H321      XXX  40  -0.911   8.331  25.371
  344   H323  EVT 101          H323      XXX  40  -2.117   8.974  26.520
  345   H322  EVT 101          H322      XXX  40  -0.680   9.947  26.095
  346   H353  EVT 101          H353      XXX  40 -16.939  19.410   7.480
  347   H352  EVT 101          H352      XXX  40 -18.566  18.756   7.197
  348   H363  EVT 101          H363      XXX  40 -18.101  17.852   9.349
  349   H362  EVT 101          H362      XXX  40 -19.059  19.298   9.705
  350    H37  EVT 101           H37      XXX  40 -16.781  20.523  10.040
  Start of MODEL    8
    1    H1   HIS   1           H1       HIS   1 -11.051   3.637   0.641
    2    H2   HIS   1           H2       HIS   1 -10.720   5.339   0.453
    3    H3   HIS   1           H3       HIS   1 -11.221   4.695   1.996
    4    HA   HIS   1           HA       HIS   1 -12.910   4.716  -0.511
    5    HB2  HIS   1           HB2      HIS   1 -13.375   2.839   1.162
    6    HB3  HIS   1           HB3      HIS   1 -13.674   4.079   2.407
    7    HD1  HIS   1           HD1      HIS   1 -14.934   3.194  -1.075
    8    HD2  HIS   1           HD2      HIS   1 -16.236   4.782   2.591
    9    HE1  HIS   1           HE1      HIS   1 -17.425   3.552  -1.332
   10    H    AIB   2           H        AIB   2 -14.890   6.281  -0.222
   11   HB11  AIB   2           H31      AIB   2 -16.469   9.489   0.562
   12   HB12  AIB   2           H32      AIB   2 -16.472   8.199  -0.673
   13   HB13  AIB   2           H33      AIB   2 -16.789   7.795   1.030
   14   HB21  AIB   2           H21      AIB   2 -14.164  10.103  -0.432
   15   HB22  AIB   2           H22      AIB   2 -12.798   8.955  -0.295
   16   HB23  AIB   2           H23      AIB   2 -14.099   8.660  -1.480
   17    H    GLN   3           H        GLN   3 -15.413   7.194   2.911
   18    HA   GLN   3           HA       GLN   3 -15.247   7.944   5.126
   19    HB2  GLN   3           H42      GLN   3 -12.411   8.507   4.083
   20    HB3  GLN   3           H43      GLN   3 -12.859   8.500   5.806
   21    HG2  GLN   3           H32      GLN   3 -13.547   6.127   5.701
   22    HG3  GLN   3           H33      GLN   3 -13.165   6.053   3.965
   23   HE21  GLN   3           H61      GLN   3  -9.560   6.205   4.478
   24   HE22  GLN   3           H62      GLN   3 -10.760   6.777   3.382
   25    H    GLY   4           H        GLY   4 -16.574   9.851   3.455
   26    HA2  GLY   4           HA2      GLY   4 -17.202  12.097   3.615
   27    HA3  GLY   4           HA3      GLY   4 -16.438  12.034   5.225
   28    H    THR   5           H        THR   5 -14.828  11.624   1.949
   29    HA   THR   5           HA       THR   5 -12.872  13.647   2.683
   30    HB   THR   5           HB       THR   5 -13.478  12.452  -0.075
   31    HG1  THR   5           HG1      THR   5 -12.461  10.968   1.507
   32   HG21  THR   5          HG21      THR   5 -11.162  14.254   0.878
   33   HG22  THR   5          HG22      THR   5 -11.200  13.368  -0.671
   34   HG23  THR   5          HG23      THR   5 -12.380  14.668  -0.366
   35    H    PHE   6           H        PHE   6 -15.975  13.595   0.712
   36    HA   PHE   6           HA       PHE   6 -15.515  16.241  -0.302
   37    HB2  PHE   6           HB2      PHE   6 -17.121  14.776  -1.452
   38    HB3  PHE   6           HB3      PHE   6 -18.173  14.735  -0.013
   39    HD1  PHE   6           HD1      PHE   6 -19.463  16.733   0.650
   40    HD2  PHE   6           HD2      PHE   6 -16.841  16.909  -2.758
   41    HE1  PHE   6           HE1      PHE   6 -20.483  18.888  -0.021
   42    HE2  PHE   6           HE2      PHE   6 -17.830  19.088  -3.402
   43    HZ   PHE   6           HZ       PHE   6 -19.642  20.091  -2.027
   44    H    THR   7           H        THR   7 -17.557  15.036   2.540
   45    HA   THR   7           HA       THR   7 -18.325  17.696   3.178
   46    HB   THR   7           HB       THR   7 -19.410  15.633   4.167
   47    HG1  THR   7           HG1      THR   7 -18.629  17.701   5.981
   48   HG21  THR   7          HG21      THR   7 -17.324  14.431   4.919
   49   HG22  THR   7          HG22      THR   7 -17.014  15.729   6.110
   50   HG23  THR   7          HG23      THR   7 -18.463  14.701   6.267
   51    H    SER   8           H        SER   8 -15.315  15.772   3.952
   52    HA   SER   8           HA       SER   8 -14.309  17.752   5.799
   53    HB2  SER   8           HB2      SER   8 -13.329  15.479   5.645
   54    HB3  SER   8           HB3      SER   8 -12.750  15.814   3.995
   55    HG   SER   8           HG       SER   8 -11.447  17.546   5.009
   56    H    ASP   9           H        ASP   9 -14.280  17.450   2.135
   57    HA   ASP   9           HA       ASP   9 -12.504  19.658   1.811
   58    HB2  ASP   9           HB2      ASP   9 -14.757  18.828  -0.121
   59    HB3  ASP   9           HB3      ASP   9 -13.392  19.908  -0.480
   60    H    LEU  10           H        LEU  10 -16.158  19.432   2.353
   61    HA   LEU  10           HA       LEU  10 -16.563  22.209   2.023
   62    HB2  LEU  10           HB2      LEU  10 -17.900  20.454   4.162
   63    HB3  LEU  10           HB3      LEU  10 -18.358  22.120   3.809
   64    HG   LEU  10           HG       LEU  10 -18.546  19.835   1.753
   65   HD11  LEU  10          HD11      LEU  10 -20.682  21.043   3.599
   66   HD12  LEU  10          HD12      LEU  10 -21.016  19.858   2.302
   67   HD13  LEU  10          HD13      LEU  10 -20.045  19.381   3.716
   68   HD21  LEU  10          HD21      LEU  10 -19.751  22.689   1.819
   69   HD22  LEU  10          HD22      LEU  10 -18.487  22.129   0.687
   70   HD23  LEU  10          HD23      LEU  10 -20.127  21.456   0.589
   71    H    SER  11           H        SER  11 -15.654  20.356   5.108
   72    HA   SER  11           HA       SER  11 -15.406  22.571   6.707
   73    HB2  SER  11           HB2      SER  11 -13.367  20.244   6.680
   74    HB3  SER  11           HB3      SER  11 -13.758  21.294   8.057
   75    HG   SER  11           HG       SER  11 -15.929  20.352   7.926
   76    H    LYS  12           H        LYS  12 -13.006  21.365   4.283
   77    HA   LYS  12           HA       LYS  12 -10.950  23.268   5.156
   78    HB2  LYS  12           HB2      LYS  12 -11.240  21.698   2.533
   79    HB3  LYS  12           HB3      LYS  12  -9.836  22.699   2.967
   80    HG2  LYS  12           HG2      LYS  12  -9.350  21.306   4.951
   81    HG3  LYS  12           HG3      LYS  12 -10.786  20.298   4.655
   82    HD2  LYS  12           HD2      LYS  12  -9.841  19.504   2.508
   83    HD3  LYS  12           HD3      LYS  12  -8.425  20.574   2.692
   84    HE2  LYS  12           HE2      LYS  12  -7.737  19.337   4.764
   85    HE3  LYS  12           HE3      LYS  12  -9.165  18.287   4.620
   86    HZ1  LYS  12           HZ1      LYS  12  -6.923  18.498   2.590
   87    HZ2  LYS  12           HZ2      LYS  12  -7.186  17.175   3.694
   88    HZ3  LYS  12           HZ3      LYS  12  -8.330  17.483   2.428
   89    H    GLN  13           H        GLN  13 -13.459  23.183   2.549
   90    HA   GLN  13           HA       GLN  13 -12.607  25.744   1.470
   91    HB2  GLN  13           HB2      GLN  13 -15.169  24.087   1.108
   92    HB3  GLN  13           HB3      GLN  13 -14.826  25.603   0.239
   93    HG2  GLN  13           HG2      GLN  13 -12.754  24.643  -0.743
   94    HG3  GLN  13           HG3      GLN  13 -13.005  23.117   0.108
   95   HE21  GLN  13          HE21      GLN  13 -15.783  22.046  -1.978
   96   HE22  GLN  13          HE22      GLN  13 -15.200  21.940  -0.358
   97    H    LYS  14           H        LYS  14 -14.861  24.799   4.154
   98    HA   LYS  14           HA       LYS  14 -16.077  27.410   4.276
   99    HB2  LYS  14           HB2      LYS  14 -15.589  25.447   6.617
  100    HB3  LYS  14           HB3      LYS  14 -16.524  26.964   6.647
  101    HG2  LYS  14           HG2      LYS  14 -18.043  25.910   4.808
  102    HG3  LYS  14           HG3      LYS  14 -17.215  24.370   5.149
  103    HD2  LYS  14           HD2      LYS  14 -17.807  24.789   7.663
  104    HD3  LYS  14           HD3      LYS  14 -18.801  26.139   7.069
  105    HE2  LYS  14           HE2      LYS  14 -20.361  24.377   7.283
  106    HE3  LYS  14           HE3      LYS  14 -19.984  24.301   5.539
  107    HZ1  LYS  14           HZ1      LYS  14 -18.178  22.548   6.567
  108    H    ASP  15           H        ASP  15 -13.225  25.694   5.844
  109    HA   ASP  15           HA       ASP  15 -12.395  27.787   7.419
  110    HB2  ASP  15           H32      ASP  15 -11.280  25.490   7.285
  111    HB3  ASP  15           H33      ASP  15 -10.362  26.071   5.881
  112    H    GLU  16           H        GLU  16 -11.786  27.282   3.859
  113    HA   GLU  16           HA       GLU  16 -10.122  29.590   3.531
  114    HB2  GLU  16           HB2      GLU  16 -12.025  28.338   1.473
  115    HB3  GLU  16           HB3      GLU  16 -10.837  29.618   1.128
  116    HG2  GLU  16           HG2      GLU  16  -8.970  28.098   1.855
  117    HG3  GLU  16           HG3      GLU  16 -10.150  26.794   2.138
  118    H    GLN  17           H        GLN  17 -13.775  29.237   3.141
  119    HA   GLN  17           HA       GLN  17 -14.227  31.973   2.563
  120    HB2  GLN  17           H42      GLN  17 -16.040  30.281   2.449
  121    HB3  GLN  17           H43      GLN  17 -15.956  30.022   4.210
  122    HG2  GLN  17           H32      GLN  17 -16.685  32.388   4.621
  123    HG3  GLN  17           H33      GLN  17 -16.784  32.657   2.856
  124   HE21  GLN  17           H61      GLN  17 -20.227  31.912   4.040
  125   HE22  GLN  17           H62      GLN  17 -19.085  33.191   4.236
  126    H    ARG  18           H        ARG  18 -13.746  30.282   5.712
  127    HA   ARG  18           HA       ARG  18 -14.413  32.669   7.247
  128    HB2  ARG  18           H42      ARG  18 -13.287  29.932   8.002
  129    HB3  ARG  18           H43      ARG  18 -13.684  31.178   9.182
  130    HG2  ARG  18           H33      ARG  18 -16.043  31.148   8.663
  131    HG3  ARG  18           H32      ARG  18 -15.803  30.292   7.122
  132    HD2  ARG  18           H52      ARG  18 -15.152  28.247   8.262
  133    HD3  ARG  18           H53      ARG  18 -15.301  29.047   9.871
  134    HE   ARG  18           H10      ARG  18 -17.784  29.392   8.535
  135   HH11  ARG  18           H71      ARG  18 -19.533  28.069   9.024
  136   HH12  ARG  18           H72      ARG  18 -19.297  26.492   9.687
  137   HH21  ARG  18           H81      ARG  18 -15.810  26.686   9.768
  138   HH22  ARG  18           H82      ARG  18 -17.217  25.699  10.115
  139    H    ALA  19           H        ALA  19 -11.486  31.485   5.756
  140    HA   ALA  19           HA       ALA  19  -9.721  33.138   7.423
  141    HB1  ALA  19           H21      ALA  19  -7.968  32.560   5.769
  142    HB2  ALA  19           H22      ALA  19  -8.793  31.088   6.360
  143    HB3  ALA  19           H23      ALA  19  -9.168  31.733   4.736
  144    H    LYS  20           H        LYS  20 -11.231  33.150   4.051
  145    HA   LYS  20           HA       LYS  20 -10.360  35.724   3.328
  146    HB2  LYS  20           H42      LYS  20 -11.637  34.283   1.750
  147    HB3  LYS  20           H43      LYS  20 -13.083  34.413   2.785
  148    HG2  LYS  20           H23      LYS  20 -13.209  36.872   2.374
  149    HG3  LYS  20           H22      LYS  20 -11.684  36.813   1.454
  150    HD2  LYS  20           H33      LYS  20 -13.575  36.960  -0.099
  151    HD3  LYS  20           H32      LYS  20 -12.796  35.367  -0.298
  152    HE2  LYS  20           H53      LYS  20 -14.610  34.271   1.008
  153    HE3  LYS  20           H52      LYS  20 -15.337  35.860   1.384
  154    HZ1  LYS  20           H71      LYS  20 -16.507  34.737  -0.434
  155    HZ2  LYS  20           H72      LYS  20 -15.768  36.233  -0.981
  156    HZ3  LYS  20           H73      LYS  20 -15.029  34.689  -1.386
  157    H    LEU  21           H        LEU  21 -13.114  34.620   5.514
  158    HA   LEU  21           HA       LEU  21 -13.982  37.283   6.094
  159    HB2  LEU  21           HB2      LEU  21 -13.921  34.899   8.026
  160    HB3  LEU  21           HB3      LEU  21 -14.529  36.496   8.442
  161    HG   LEU  21           HG       LEU  21 -15.735  34.683   6.285
  162   HD11  LEU  21          HD11      LEU  21 -17.548  34.316   7.987
  163   HD12  LEU  21          HD12      LEU  21 -15.988  33.799   8.668
  164   HD13  LEU  21          HD13      LEU  21 -16.686  35.360   9.154
  165   HD21  LEU  21          HD21      LEU  21 -17.706  36.296   6.469
  166   HD22  LEU  21          HD22      LEU  21 -16.697  37.370   7.475
  167   HD23  LEU  21          HD23      LEU  21 -16.268  37.059   5.767
  168    H    PHE  22           H        PHE  22 -11.612  35.084   7.942
  169    HA   PHE  22           HA       PHE  22 -10.981  36.750   9.849
  170    HB2  PHE  22           HB2      PHE  22  -9.735  34.585   9.543
  171    HB3  PHE  22           HB3      PHE  22  -8.776  35.289   8.257
  172    HD1  PHE  22           HD1      PHE  22  -6.644  36.176   8.885
  173    HD2  PHE  22           HD2      PHE  22  -9.793  36.183  11.825
  174    HE1  PHE  22           HE1      PHE  22  -5.013  36.757  10.648
  175    HE2  PHE  22           HE2      PHE  22  -8.167  36.795  13.568
  176    HZ   PHE  22           HZ       PHE  22  -5.753  36.995  13.008
  177    H    ILE  23           H        ILE  23  -9.121  37.047   6.705
  178    HA   ILE  23           HA       ILE  23  -7.989  39.473   7.739
  179    HB   ILE  23           HB       ILE  23  -6.833  38.009   6.022
  180   HG12  ILE  23          HG12      ILE  23  -5.801  39.831   4.687
  181   HG13  ILE  23          HG13      ILE  23  -7.091  40.964   5.154
  182   HG21  ILE  23          HG21      ILE  23  -8.697  39.370   3.976
  183   HG22  ILE  23          HG22      ILE  23  -7.384  38.221   3.625
  184   HG23  ILE  23          HG23      ILE  23  -8.841  37.663   4.474
  185   HD11  ILE  23          HD11      ILE  23  -5.201  39.594   7.178
  186   HD12  ILE  23          HD12      ILE  23  -4.873  41.183   6.432
  187   HD13  ILE  23          HD13      ILE  23  -6.280  40.990   7.494
  188    H    GLU  24           H        GLU  24 -10.803  38.893   5.466
  189    HA   GLU  24           HA       GLU  24 -10.978  41.724   4.863
  190    HB2  GLU  24           HB2      GLU  24 -13.107  39.524   4.579
  191    HB3  GLU  24           HB3      GLU  24 -13.358  41.231   4.145
  192    HG2  GLU  24           HG2      GLU  24 -11.508  41.123   2.475
  193    HG3  GLU  24           HG3      GLU  24 -11.163  39.439   2.945
  194    H    TRP  25           H        TRP  25 -13.057  39.550   6.932
  195    HA   TRP  25           HA       TRP  25 -14.395  41.274   8.508
  196    HB2  TRP  25           HB2      TRP  25 -14.377  38.834   8.877
  197    HB3  TRP  25           HB3      TRP  25 -12.679  38.861   9.435
  198    HD1  TRP  25           HD1      TRP  25 -15.965  40.505  10.493
  199    HE1  TRP  25           HE1      TRP  25 -16.088  40.429  13.055
  200    HE3  TRP  25           HE3      TRP  25 -11.293  38.578  11.513
  201    HZ2  TRP  25           HZ2      TRP  25 -14.627  39.485  15.157
  202    HZ3  TRP  25           HZ3      TRP  25 -10.682  38.194  13.905
  203    HH2  TRP  25           HH2      TRP  25 -12.338  38.600  15.707
  204    H    LEU  26           H        LEU  26 -10.796  40.553   8.977
  205    HA   LEU  26           HA       LEU  26 -10.669  42.279  11.296
  206    HB2  LEU  26           HB2      LEU  26  -8.440  41.455   9.334
  207    HB3  LEU  26           HB3      LEU  26  -8.189  42.560  10.698
  208    HG   LEU  26           HG       LEU  26  -8.980  39.598  10.999
  209   HD11  LEU  26          HD11      LEU  26  -6.653  39.925  10.194
  210   HD12  LEU  26          HD12      LEU  26  -6.347  41.098  11.514
  211   HD13  LEU  26          HD13      LEU  26  -6.665  39.388  11.895
  212   HD21  LEU  26          HD21      LEU  26  -9.958  40.802  12.871
  213   HD22  LEU  26          HD22      LEU  26  -8.498  39.953  13.407
  214   HD23  LEU  26          HD23      LEU  26  -8.435  41.722  13.117
  215    H    AIB  27           H        ALA  27  -9.866  42.726   7.740
  216   HB11  AIB  27           H21      ALA  27  -8.525  46.532   7.614
  217   HB12  AIB  27           H22      ALA  27  -8.922  45.911   9.229
  218   HB13  AIB  27           H23      ALA  27  -7.870  44.953   8.157
  219   HB21  AIB  27           H31      ALA  27  -8.833  44.052   5.881
  220   HB22  AIB  27           H32      ALA  27 -10.594  44.125   5.608
  221   HB23  AIB  27           H33      ALA  27  -9.627  45.611   5.531
  222    H    ALA  28           H        ALA  28 -12.469  44.058   7.597
  223    HA   ALA  28           HA       ALA  28 -13.793  46.540   7.188
  224    HB1  ALA  28           H21      ALA  28 -14.772  44.060   8.767
  225    HB2  ALA  28           H22      ALA  28 -15.807  45.367   8.126
  226    HB3  ALA  28           H23      ALA  28 -14.936  44.286   7.003
  227    H    GLY  29           H        GLY  29 -12.240  45.119  10.088
  228    HA2  GLY  29           HA2      GLY  29 -11.977  47.143  11.734
  229    HA3  GLY  29           HA3      GLY  29 -13.737  46.904  11.924
  230    H    GLY  30           H        GLY  30 -13.602  43.887  11.458
  231    HA2  GLY  30           HA2      GLY  30 -13.148  41.989  12.744
  232    HA3  GLY  30           HA3      GLY  30 -12.092  42.948  13.783
  233    HA   PRO  31           HA       PRO  31 -16.060  41.933  16.014
  234    HB2  PRO  31           HB2      PRO  31 -14.517  43.321  18.273
  235    HB3  PRO  31           HB3      PRO  31 -15.552  41.871  18.363
  236    HG2  PRO  31           HG2      PRO  31 -12.835  41.570  18.230
  237    HG3  PRO  31           HG3      PRO  31 -13.896  40.524  17.239
  238    HD2  PRO  31           HD2      PRO  31 -12.301  42.981  16.292
  239    HD3  PRO  31           HD3      PRO  31 -12.497  41.384  15.505
  240    HA   PRO  32           HA       PRO  32 -16.917  46.636  17.235
  241    HB2  PRO  32           HB2      PRO  32 -15.267  47.637  14.820
  242    HB3  PRO  32           HB3      PRO  32 -15.731  48.566  16.284
  243    HG2  PRO  32           HG2      PRO  32 -13.240  47.526  16.202
  244    HG3  PRO  32           HG3      PRO  32 -14.223  47.157  17.661
  245    HD2  PRO  32           HD3      PRO  32 -13.839  45.380  15.192
  246    HD3  PRO  32           HD2      PRO  32 -13.585  44.959  16.932
  247    H    SER  33           H        SER  33 -16.346  45.385  13.842
  248    HA   SER  33           HA       SER  33 -18.552  46.755  12.681
  249    HB2  SER  33           HB2      SER  33 -17.368  44.043  11.848
  250    HB3  SER  33           HB3      SER  33 -18.251  45.198  10.794
  251    HG   SER  33           HG       SER  33 -15.869  45.463  10.676
  252    H    AIB  34           H        AIB  34 -18.706  44.149  15.041
  253   HB11  AIB  34           H31      AIB  34 -21.767  44.931  15.672
  254   HB12  AIB  34           H32      AIB  34 -22.257  44.619  13.986
  255   HB13  AIB  34           H33      AIB  34 -22.758  43.497  15.269
  256   HB21  AIB  34           H21      AIB  34 -19.432  41.949  16.018
  257   HB22  AIB  34           H22      AIB  34 -20.263  43.248  16.908
  258   HB23  AIB  34           H23      AIB  34 -21.188  41.851  16.290
  259    H    LYS  35           H        LYS  35 -18.717  41.894  13.686
  260    HA   LYS  35           HA       LYS  35 -20.601  40.243  12.029
  261    HB2  LYS  35           H42      LYS  35 -17.917  41.561  11.328
  262    HB3  LYS  35           H43      LYS  35 -18.612  40.230  10.358
  263    HG2  LYS  35           H23      LYS  35 -20.662  41.631   9.930
  264    HG3  LYS  35           H22      LYS  35 -19.968  42.946  10.918
  265    HD2  LYS  35           H33      LYS  35 -18.020  43.125   9.312
  266    HD3  LYS  35           H32      LYS  35 -18.725  41.813   8.326
  267    HE2  LYS  35           H53      LYS  35 -20.777  43.210   7.926
  268    HE3  LYS  35           H52      LYS  35 -20.083  44.524   8.913
  269    HZ1  LYS  35           H71      LYS  35 -18.211  44.705   7.335
  270    HZ2  LYS  35           H72      LYS  35 -18.889  43.405   6.364
  271    HZ3  LYS  35           H73      LYS  35 -19.754  44.928   6.525
  272    HA   PRO  36           HA       PRO  36 -18.729  37.295  14.536
  273    HB2  PRO  36           HB2      PRO  36 -18.776  34.899  13.061
  274    HB3  PRO  36           HB3      PRO  36 -20.265  35.763  13.566
  275    HG2  PRO  36           HG2      PRO  36 -18.791  36.075  10.897
  276    HG3  PRO  36           HG3      PRO  36 -20.504  35.597  11.107
  277    HD2  PRO  36           HD2      PRO  36 -19.898  38.226  10.654
  278    HD3  PRO  36           HD3      PRO  36 -21.075  37.849  11.972
  279    HA   PRO  37           HA       PRO  37 -14.349  36.772  13.279
  280    HB2  PRO  37           HB2      PRO  37 -13.410  35.215  15.335
  281    HB3  PRO  37           HB3      PRO  37 -14.219  36.752  15.717
  282    HG2  PRO  37           HG2      PRO  37 -15.558  34.012  15.639
  283    HG3  PRO  37           HG3      PRO  37 -15.456  35.103  17.057
  284    HD2  PRO  37           HD2      PRO  37 -17.640  35.179  15.364
  285    HD3  PRO  37           HD3      PRO  37 -16.956  36.710  16.044
  286    HA   PRO  38           HA       PRO  38 -14.118  33.245  10.664
  287    HB2  PRO  38           HB2      PRO  38 -12.025  31.904  12.487
  288    HB3  PRO  38           HB3      PRO  38 -11.996  31.993  10.699
  289    HG2  PRO  38           HG2      PRO  38 -10.473  33.802  11.943
  290    HG3  PRO  38           HG3      PRO  38 -11.711  34.447  10.803
  291    HD2  PRO  38           HD2      PRO  38 -12.049  34.210  13.831
  292    HD3  PRO  38           HD3      PRO  38 -12.273  35.699  12.818
  293    H    LYS  39           H        LYS  39 -14.068  32.103  14.152
  294    HA   LYS  39           HA       LYS  39 -15.193  29.571  13.678
  295    HB2  LYS  39           H42      LYS  39 -15.574  31.492  16.062
  296    HB3  LYS  39           H43      LYS  39 -16.365  29.900  15.998
  297    HG2  LYS  39           H23      LYS  39 -14.222  28.732  15.814
  298    HG3  LYS  39           H22      LYS  39 -13.319  30.277  15.781
  299    HD2  LYS  39           H33      LYS  39 -14.052  30.809  18.083
  300    HD3  LYS  39           H32      LYS  39 -15.120  29.383  18.117
  301    HE2  LYS  39           H53      LYS  39 -13.131  27.851  17.915
  302    HE3  LYS  39           H52      LYS  39 -12.046  29.263  17.853
  303    HZ1  LYS  39           H71      LYS  39 -13.885  28.544  20.149
  304    HZ2  LYS  39           H73      LYS  39 -12.759  29.894  20.107
  305    HZ3  LYS  39           H72      LYS  39 -12.156  28.244  20.089
  306    HN1  NH2  40           H11      LYS  39 -18.380  32.183  13.314
  307    HN2  NH2  40           H12      LYS  39 -16.925  32.800  14.007
  308    H93  EVT 101           H93      XXX  40 -20.899  15.760   8.064
  309    H92  EVT 101           H92      XXX  40 -19.740  14.478   8.471
  310   H103  EVT 101          H103      XXX  40 -21.188  16.305  10.509
  311   H102  EVT 101          H102      XXX  40 -21.576  14.601  10.170
  312    H11  EVT 101           H11      XXX  40 -18.978  15.703  11.391
  313   H122  EVT 101          H122      XXX  40 -17.661  11.872   9.436
  314   H123  EVT 101          H123      XXX  40 -16.087  12.259  10.170
  315   H133  EVT 101          H133      XXX  40 -17.032  10.121  11.028
  316   H132  EVT 101          H132      XXX  40 -18.477  10.971  11.639
  317   H143  EVT 101          H143      XXX  40 -17.014  12.346  13.170
  318   H142  EVT 101          H142      XXX  40 -15.580  11.473  12.571
  319   H153  EVT 101          H153      XXX  40 -16.601   9.295  13.388
  320   H152  EVT 101          H152      XXX  40 -17.994  10.208  14.022
  321    H6   EVT 101           H6       XXX  40 -20.310  18.065   8.947
  322   H163  EVT 101          H163      XXX  40 -16.431  11.475  15.561
  323   H162  EVT 101          H162      XXX  40 -15.061  10.555  14.884
  324   H173  EVT 101          H173      XXX  40 -16.139   8.400  15.684
  325   H172  EVT 101          H172      XXX  40 -17.499   9.340  16.343
  326   H183  EVT 101          H183      XXX  40 -15.974   8.661  18.133
  327   H182  EVT 101          H182      XXX  40 -15.981  10.440  18.004
  328   H193  EVT 101          H193      XXX  40 -13.800  10.434  16.873
  329   H192  EVT 101          H192      XXX  40 -13.856   8.660  16.665
  330   H203  EVT 101          H203      XXX  40 -13.702   8.399  19.172
  331   H202  EVT 101          H202      XXX  40 -13.649  10.171  19.352
  332   H213  EVT 101          H213      XXX  40 -11.536  10.210  17.922
  333   H212  EVT 101          H212      XXX  40 -11.608   8.432  17.810
  334   H223  EVT 101          H223      XXX  40 -11.414   8.305  20.327
  335   H222  EVT 101          H222      XXX  40 -11.250  10.082  20.383
  336    H25  EVT 101           H25      XXX  40 -19.681  12.884  10.583
  337   H293  EVT 101          H293      XXX  40  -9.256   9.894  18.814
  338   H292  EVT 101          H292      XXX  40  -9.348   8.119  18.939
  339   H303  EVT 101          H303      XXX  40  -8.840  10.031  21.309
  340   H302  EVT 101          H302      XXX  40  -7.602   9.058  20.466
  341   H313  EVT 101          H313      XXX  40  -8.777   6.955  21.183
  342   H312  EVT 101          H312      XXX  40  -9.936   7.937  22.119
  343   H321  EVT 101          H321      XXX  40  -6.874   7.883  22.568
  344   H323  EVT 101          H323      XXX  40  -8.100   7.112  23.605
  345   H322  EVT 101          H322      XXX  40  -8.032   8.891  23.481
  346   H353  EVT 101          H353      XXX  40 -18.834  20.165   6.437
  347   H352  EVT 101          H352      XXX  40 -20.406  19.701   7.124
  348   H363  EVT 101          H363      XXX  40 -19.639  20.442   9.410
  349   H362  EVT 101          H362      XXX  40 -18.096  20.990   8.723
  350    H37  EVT 101           H37      XXX  40 -17.633  18.602   7.974
  Start of MODEL    9
    1    H1   HIS   1           H1       HIS   1 -16.109   4.128  -4.344
    2    H2   HIS   1           H2       HIS   1 -15.895   5.735  -4.940
    3    H3   HIS   1           H3       HIS   1 -14.960   5.201  -3.572
    4    HA   HIS   1           HA       HIS   1 -17.975   5.521  -3.611
    5    HB2  HIS   1           HB2      HIS   1 -16.049   5.026  -1.240
    6    HB3  HIS   1           HB3      HIS   1 -17.802   5.294  -1.117
    7    HD1  HIS   1           HD1      HIS   1 -15.320   2.739  -2.276
    8    HD2  HIS   1           HD2      HIS   1 -19.460   3.253  -1.745
    9    HE1  HIS   1           HE1      HIS   1 -16.325   0.436  -2.519
   10    H    AIB   2           H        AIB   2 -18.643   7.384  -2.018
   11   HB11  AIB   2           H31      AIB   2 -18.552  10.770  -0.667
   12   HB12  AIB   2           H32      AIB   2 -19.699   9.599  -1.379
   13   HB13  AIB   2           H33      AIB   2 -18.675   9.121   0.002
   14   HB21  AIB   2           H21      AIB   2 -17.700  11.138  -3.061
   15   HB22  AIB   2           H22      AIB   2 -16.914   9.819  -3.965
   16   HB23  AIB   2           H23      AIB   2 -18.684   9.817  -3.749
   17    H    GLN   3           H        GLN   3 -16.456   7.823  -0.037
   18    HA   GLN   3           HA       GLN   3 -14.546   8.102   1.268
   19    HB2  GLN   3           H42      GLN   3 -13.436   9.177  -1.391
   20    HB3  GLN   3           H43      GLN   3 -12.455   8.781   0.042
   21    HG2  GLN   3           H32      GLN   3 -13.101   6.398  -0.074
   22    HG3  GLN   3           H33      GLN   3 -14.271   6.740  -1.367
   23   HE21  GLN   3           H61      GLN   3 -10.198   6.789  -2.253
   24   HE22  GLN   3           H62      GLN   3 -10.682   7.081  -0.622
   25    H    GLY   4           H        GLY   4 -16.467   9.920   1.873
   26    HA2  GLY   4           HA2      GLY   4 -16.746  12.033   2.818
   27    HA3  GLY   4           HA3      GLY   4 -15.026  11.833   3.257
   28    H    THR   5           H        THR   5 -16.193  12.111  -0.183
   29    HA   THR   5           HA       THR   5 -14.459  14.405  -0.561
   30    HB   THR   5           HB       THR   5 -16.720  13.292  -2.330
   31    HG1  THR   5           HG1      THR   5 -14.698  12.000  -2.176
   32   HG21  THR   5          HG21      THR   5 -14.665  15.507  -2.921
   33   HG22  THR   5          HG22      THR   5 -15.701  14.712  -4.144
   34   HG23  THR   5          HG23      THR   5 -16.448  15.700  -2.860
   35    H    PHE   6           H        PHE   6 -18.035  13.899   0.057
   36    HA   PHE   6           HA       PHE   6 -18.720  16.623  -0.416
   37    HB2  PHE   6           HB2      PHE   6 -20.549  15.039  -0.309
   38    HB3  PHE   6           HB3      PHE   6 -20.062  14.439   1.281
   39    HD1  PHE   6           HD1      PHE   6 -20.996  15.415   3.260
   40    HD2  PHE   6           HD2      PHE   6 -21.127  17.643  -0.418
   41    HE1  PHE   6           HE1      PHE   6 -22.563  17.016   4.286
   42    HE2  PHE   6           HE2      PHE   6 -22.600  19.314   0.657
   43    HZ   PHE   6           HZ       PHE   6 -23.373  18.972   2.992
   44    H    THR   7           H        THR   7 -18.039  14.907   2.781
   45    HA   THR   7           HA       THR   7 -18.298  17.357   4.199
   46    HB   THR   7           HB       THR   7 -18.342  15.090   5.297
   47    HG1  THR   7           HG1      THR   7 -16.628  17.080   6.421
   48   HG21  THR   7          HG21      THR   7 -16.222  14.124   4.248
   49   HG22  THR   7          HG22      THR   7 -15.250  15.310   5.167
   50   HG23  THR   7          HG23      THR   7 -16.196  14.070   6.031
   51    H    SER   8           H        SER   8 -15.448  15.845   2.483
   52    HA   SER   8           HA       SER   8 -13.537  17.652   3.605
   53    HB2  SER   8           HB2      SER   8 -12.858  15.647   2.272
   54    HB3  SER   8           HB3      SER   8 -13.510  16.399   0.784
   55    HG   SER   8           HG       SER   8 -11.890  18.119   1.183
   56    H    ASP   9           H        ASP   9 -15.834  17.884   0.753
   57    HA   ASP   9           HA       ASP   9 -14.779  20.363  -0.154
   58    HB2  ASP   9           HB2      ASP   9 -17.712  19.416  -0.354
   59    HB3  ASP   9           HB3      ASP   9 -16.950  20.711  -1.313
   60    H    LEU  10           H        LEU  10 -17.394  19.532   2.318
   61    HA   LEU  10           HA       LEU  10 -18.045  22.214   2.861
   62    HB2  LEU  10           HB2      LEU  10 -17.831  19.937   4.895
   63    HB3  LEU  10           HB3      LEU  10 -18.527  21.539   5.238
   64    HG   LEU  10           HG       LEU  10 -19.664  19.472   3.241
   65   HD11  LEU  10          HD11      LEU  10 -20.564  20.324   6.065
   66   HD12  LEU  10          HD12      LEU  10 -21.452  19.206   5.001
   67   HD13  LEU  10          HD13      LEU  10 -19.856  18.741   5.641
   68   HD21  LEU  10          HD21      LEU  10 -20.793  22.173   4.210
   69   HD22  LEU  10          HD22      LEU  10 -20.314  21.796   2.527
   70   HD23  LEU  10          HD23      LEU  10 -21.697  20.966   3.258
   71    H    SER  11           H        SER  11 -15.411  20.151   4.458
   72    HA   SER  11           HA       SER  11 -14.457  22.210   6.083
   73    HB2  SER  11           HB2      SER  11 -12.813  20.043   4.621
   74    HB3  SER  11           HB3      SER  11 -12.209  21.042   5.964
   75    HG   SER  11           HG       SER  11 -13.919  20.070   7.267
   76    H    LYS  12           H        LYS  12 -13.804  21.671   2.544
   77    HA   LYS  12           HA       LYS  12 -11.714  23.712   2.498
   78    HB2  LYS  12           HB2      LYS  12 -13.486  22.647   0.206
   79    HB3  LYS  12           HB3      LYS  12 -12.154  23.811   0.008
   80    HG2  LYS  12           HG2      LYS  12 -10.516  22.165   0.873
   81    HG3  LYS  12           HG3      LYS  12 -11.805  20.969   1.152
   82    HD2  LYS  12           HD2      LYS  12 -12.321  20.906  -1.293
   83    HD3  LYS  12           HD3      LYS  12 -11.099  22.171  -1.604
   84    HE2  LYS  12           HE2      LYS  12  -9.284  20.652  -0.785
   85    HE3  LYS  12           HE3      LYS  12 -10.487  19.385  -0.434
   86    HZ1  LYS  12           HZ1      LYS  12  -9.897  20.546  -3.176
   87    HZ2  LYS  12           HZ2      LYS  12  -9.378  18.994  -2.588
   88    HZ3  LYS  12           HZ3      LYS  12 -11.076  19.299  -2.829
   89    H    GLN  13           H        GLN  13 -15.257  23.615   1.797
   90    HA   GLN  13           HA       GLN  13 -15.473  26.285   0.863
   91    HB2  GLN  13           HB2      GLN  13 -17.493  24.478   2.289
   92    HB3  GLN  13           HB3      GLN  13 -17.944  26.039   1.582
   93    HG2  GLN  13           HG2      GLN  13 -17.484  25.310  -0.666
   94    HG3  GLN  13           HG3      GLN  13 -16.609  23.874  -0.159
   95   HE21  GLN  13          HE21      GLN  13 -20.762  23.860   0.033
   96   HE22  GLN  13          HE22      GLN  13 -19.947  25.380   0.020
   97    H    LYS  14           H        LYS  14 -15.706  24.880   4.244
   98    HA   LYS  14           HA       LYS  14 -16.377  27.454   5.378
   99    HB2  LYS  14           HB2      LYS  14 -15.087  25.107   6.899
  100    HB3  LYS  14           HB3      LYS  14 -15.881  26.549   7.566
  101    HG2  LYS  14           HG2      LYS  14 -18.046  25.716   6.351
  102    HG3  LYS  14           HG3      LYS  14 -17.162  24.202   6.053
  103    HD2  LYS  14           HD2      LYS  14 -16.662  24.275   8.688
  104    HD3  LYS  14           HD3      LYS  14 -17.999  25.448   8.700
  105    HE2  LYS  14           HE2      LYS  14 -19.024  23.350   9.179
  106    HE3  LYS  14           HE3      LYS  14 -19.385  23.554   7.440
  107    HZ1  LYS  14           HZ1      LYS  14 -16.979  22.155   7.486
  108    H    ASP  15           H        ASP  15 -13.332  25.409   5.328
  109    HA   ASP  15           HA       ASP  15 -11.816  27.041   6.898
  110    HB2  ASP  15           H32      ASP  15 -11.009  24.842   6.028
  111    HB3  ASP  15           H33      ASP  15 -10.786  25.543   4.409
  112    H    GLU  16           H        GLU  16 -11.912  27.346   3.230
  113    HA   GLU  16           HA       GLU  16 -10.145  29.633   3.372
  114    HB2  GLU  16           HB2      GLU  16 -11.998  28.814   1.068
  115    HB3  GLU  16           HB3      GLU  16 -10.744  30.081   1.009
  116    HG2  GLU  16           HG2      GLU  16  -9.005  28.298   1.645
  117    HG3  GLU  16           HG3      GLU  16 -10.266  27.063   1.398
  118    H    GLN  17           H        GLN  17 -13.746  29.292   3.569
  119    HA   GLN  17           HA       GLN  17 -14.139  32.125   3.147
  120    HB2  GLN  17           H42      GLN  17 -15.915  30.448   2.824
  121    HB3  GLN  17           H43      GLN  17 -15.960  30.121   4.575
  122    HG2  GLN  17           H32      GLN  17 -16.782  32.407   5.036
  123    HG3  GLN  17           H33      GLN  17 -16.385  32.946   3.395
  124   HE21  GLN  17           H61      GLN  17 -19.693  30.447   3.756
  125   HE22  GLN  17           H62      GLN  17 -18.355  30.155   4.807
  126    H    ARG  18           H        ARG  18 -13.576  30.027   6.054
  127    HA   ARG  18           HA       ARG  18 -14.047  32.054   8.025
  128    HB2  ARG  18           H42      ARG  18 -12.274  29.548   8.010
  129    HB3  ARG  18           H43      ARG  18 -12.496  30.554   9.448
  130    HG2  ARG  18           H33      ARG  18 -14.860  30.100   9.587
  131    HG3  ARG  18           H32      ARG  18 -14.909  29.304   7.997
  132    HD2  ARG  18           H52      ARG  18 -13.504  27.476   8.763
  133    HD3  ARG  18           H53      ARG  18 -13.286  28.258  10.373
  134    HE   ARG  18           H10      ARG  18 -16.075  27.938   9.947
  135   HH11  ARG  18           H71      ARG  18 -17.159  26.236  10.950
  136   HH12  ARG  18           H72      ARG  18 -16.319  24.809  11.439
  137   HH21  ARG  18           H81      ARG  18 -13.168  25.906  10.388
  138   HH22  ARG  18           H82      ARG  18 -14.080  24.609  11.138
  139    H    ALA  19           H        ALA  19 -11.217  31.349   5.932
  140    HA   ALA  19           HA       ALA  19  -9.475  33.130   7.513
  141    HB1  ALA  19           H21      ALA  19  -7.739  32.529   5.818
  142    HB2  ALA  19           H22      ALA  19  -8.483  31.084   6.560
  143    HB3  ALA  19           H23      ALA  19  -8.947  31.582   4.907
  144    H    LYS  20           H        LYS  20 -10.943  32.974   4.148
  145    HA   LYS  20           HA       LYS  20 -10.075  35.528   3.315
  146    HB2  LYS  20           H42      LYS  20 -11.281  33.910   1.824
  147    HB3  LYS  20           H43      LYS  20 -12.767  34.136   2.781
  148    HG2  LYS  20           H23      LYS  20 -12.857  36.558   2.061
  149    HG3  LYS  20           H22      LYS  20 -11.306  36.353   1.221
  150    HD2  LYS  20           H33      LYS  20 -12.996  36.254  -0.483
  151    HD3  LYS  20           H32      LYS  20 -12.400  34.594  -0.276
  152    HE2  LYS  20           H53      LYS  20 -14.473  34.116   1.164
  153    HE3  LYS  20           H52      LYS  20 -15.003  35.787   0.872
  154    HZ1  LYS  20           H71      LYS  20 -16.103  34.220  -0.646
  155    HZ2  LYS  20           H72      LYS  20 -15.058  35.311  -1.547
  156    HZ3  LYS  20           H73      LYS  20 -14.542  33.657  -1.233
  157    H    LEU  21           H        LEU  21 -12.838  34.467   5.466
  158    HA   LEU  21           HA       LEU  21 -13.762  37.131   5.966
  159    HB2  LEU  21           HB2      LEU  21 -13.787  34.643   7.758
  160    HB3  LEU  21           HB3      LEU  21 -14.274  36.243   8.348
  161    HG   LEU  21           HG       LEU  21 -15.680  34.771   6.060
  162   HD11  LEU  21          HD11      LEU  21 -17.439  34.350   7.769
  163   HD12  LEU  21          HD12      LEU  21 -15.907  33.642   8.330
  164   HD13  LEU  21          HD13      LEU  21 -16.474  35.183   9.017
  165   HD21  LEU  21          HD21      LEU  21 -17.507  36.491   6.562
  166   HD22  LEU  21          HD22      LEU  21 -16.336  37.360   7.587
  167   HD23  LEU  21          HD23      LEU  21 -16.072  37.238   5.832
  168    H    PHE  22           H        PHE  22 -11.491  35.039   8.065
  169    HA   PHE  22           HA       PHE  22 -10.841  36.753   9.910
  170    HB2  PHE  22           HB2      PHE  22  -9.502  34.690   9.715
  171    HB3  PHE  22           HB3      PHE  22  -8.721  35.267   8.261
  172    HD1  PHE  22           HD1      PHE  22  -6.682  36.504   8.364
  173    HD2  PHE  22           HD2      PHE  22  -9.204  36.400  11.840
  174    HE1  PHE  22           HE1      PHE  22  -4.830  37.386   9.732
  175    HE2  PHE  22           HE2      PHE  22  -7.330  37.253  13.216
  176    HZ   PHE  22           HZ       PHE  22  -5.113  37.662  12.181
  177    H    ILE  23           H        ILE  23  -9.067  37.064   6.750
  178    HA   ILE  23           HA       ILE  23  -7.970  39.548   7.719
  179    HB   ILE  23           HB       ILE  23  -6.826  37.931   6.091
  180   HG12  ILE  23          HG12      ILE  23  -5.714  39.698   4.696
  181   HG13  ILE  23          HG13      ILE  23  -6.909  40.885   5.268
  182   HG21  ILE  23          HG21      ILE  23  -8.769  37.614   4.513
  183   HG22  ILE  23          HG22      ILE  23  -8.610  39.310   3.985
  184   HG23  ILE  23          HG23      ILE  23  -7.304  38.144   3.665
  185   HD11  ILE  23          HD11      ILE  23  -5.043  39.286   7.145
  186   HD12  ILE  23          HD12      ILE  23  -4.630  40.888   6.469
  187   HD13  ILE  23          HD13      ILE  23  -6.006  40.730   7.580
  188    H    GLU  24           H        GLU  24 -10.765  38.834   5.475
  189    HA   GLU  24           HA       GLU  24 -11.056  41.657   4.797
  190    HB2  GLU  24           HB2      GLU  24 -13.084  39.355   4.626
  191    HB3  GLU  24           HB3      GLU  24 -13.395  41.040   4.134
  192    HG2  GLU  24           HG2      GLU  24 -11.626  40.911   2.399
  193    HG3  GLU  24           HG3      GLU  24 -11.167  39.280   2.949
  194    H    TRP  25           H        TRP  25 -12.931  39.394   6.968
  195    HA   TRP  25           HA       TRP  25 -14.413  41.112   8.483
  196    HB2  TRP  25           HB2      TRP  25 -14.334  38.694   8.883
  197    HB3  TRP  25           HB3      TRP  25 -12.629  38.764   9.401
  198    HD1  TRP  25           HD1      TRP  25 -15.993  40.243  10.546
  199    HE1  TRP  25           HE1      TRP  25 -16.024  40.265  13.099
  200    HE3  TRP  25           HE3      TRP  25 -11.179  38.639  11.469
  201    HZ2  TRP  25           HZ2      TRP  25 -14.436  39.514  15.184
  202    HZ3  TRP  25           HZ3      TRP  25 -10.480  38.359  13.850
  203    HH2  TRP  25           HH2      TRP  25 -12.105  38.733  15.686
  204    H    LEU  26           H        LEU  26 -10.795  40.553   8.954
  205    HA   LEU  26           HA       LEU  26 -10.746  42.404  11.173
  206    HB2  LEU  26           HB2      LEU  26  -8.467  41.616   9.258
  207    HB3  LEU  26           HB3      LEU  26  -8.295  42.787  10.589
  208    HG   LEU  26           HG       LEU  26  -8.877  39.791  10.964
  209   HD11  LEU  26          HD11      LEU  26  -6.545  40.274  10.277
  210   HD12  LEU  26          HD12      LEU  26  -6.411  41.535  11.537
  211   HD13  LEU  26          HD13      LEU  26  -6.598  39.833  12.004
  212   HD21  LEU  26          HD21      LEU  26 -10.046  40.963  12.784
  213   HD22  LEU  26          HD22      LEU  26  -8.538  40.260  13.384
  214   HD23  LEU  26          HD23      LEU  26  -8.620  42.017  13.039
  215    H    AIB  27           H        ALA  27 -10.045  42.709   7.571
  216   HB11  AIB  27           H21      ALA  27  -8.092  44.947   7.634
  217   HB12  AIB  27           H22      ALA  27  -8.868  46.513   7.230
  218   HB13  AIB  27           H23      ALA  27  -9.007  45.832   8.868
  219   HB21  AIB  27           H31      ALA  27  -9.322  43.932   5.573
  220   HB22  AIB  27           H32      ALA  27 -11.087  44.115   5.408
  221   HB23  AIB  27           H33      ALA  27 -10.035  45.532   5.254
  222    H    ALA  28           H        ALA  28 -12.728  43.988   7.628
  223    HA   ALA  28           HA       ALA  28 -14.090  46.475   7.287
  224    HB1  ALA  28           H21      ALA  28 -14.938  43.945   8.810
  225    HB2  ALA  28           H22      ALA  28 -16.047  45.267   8.351
  226    HB3  ALA  28           H23      ALA  28 -15.262  44.272   7.093
  227    H    GLY  29           H        GLY  29 -12.351  45.130  10.112
  228    HA2  GLY  29           HA2      GLY  29 -11.977  47.089  11.725
  229    HA3  GLY  29           HA3      GLY  29 -13.732  47.013  11.943
  230    H    GLY  30           H        GLY  30 -13.458  43.814  11.542
  231    HA2  GLY  30           HA2      GLY  30 -13.174  42.051  13.031
  232    HA3  GLY  30           HA3      GLY  30 -12.159  43.084  14.026
  233    HA   PRO  31           HA       PRO  31 -16.225  42.025  16.028
  234    HB2  PRO  31           HB2      PRO  31 -14.824  43.247  18.449
  235    HB3  PRO  31           HB3      PRO  31 -15.843  41.788  18.375
  236    HG2  PRO  31           HG2      PRO  31 -13.107  41.561  18.421
  237    HG3  PRO  31           HG3      PRO  31 -14.088  40.515  17.346
  238    HD2  PRO  31           HD2      PRO  31 -12.462  42.989  16.525
  239    HD3  PRO  31           HD3      PRO  31 -12.680  41.429  15.672
  240    HA   PRO  32           HA       PRO  32 -17.099  46.645  17.505
  241    HB2  PRO  32           HB2      PRO  32 -15.320  47.764  15.261
  242    HB3  PRO  32           HB3      PRO  32 -15.842  48.610  16.752
  243    HG2  PRO  32           HG2      PRO  32 -13.362  47.543  16.776
  244    HG3  PRO  32           HG3      PRO  32 -14.442  47.054  18.110
  245    HD2  PRO  32           HD3      PRO  32 -13.934  45.483  15.513
  246    HD3  PRO  32           HD2      PRO  32 -13.776  44.915  17.221
  247    H    SER  33           H        SER  33 -16.432  45.484  14.117
  248    HA   SER  33           HA       SER  33 -18.532  46.917  12.850
  249    HB2  SER  33           HB2      SER  33 -17.528  44.108  12.184
  250    HB3  SER  33           HB3      SER  33 -18.227  45.295  11.049
  251    HG   SER  33           HG       SER  33 -15.822  45.303  11.049
  252    H    AIB  34           H        AIB  34 -18.736  44.174  15.115
  253   HB11  AIB  34           H31      AIB  34 -21.854  45.041  15.722
  254   HB12  AIB  34           H32      AIB  34 -22.373  44.656  14.065
  255   HB13  AIB  34           H33      AIB  34 -22.832  43.588  15.391
  256   HB21  AIB  34           H21      AIB  34 -19.508  42.064  16.142
  257   HB22  AIB  34           H22      AIB  34 -20.401  43.334  17.011
  258   HB23  AIB  34           H23      AIB  34 -21.271  41.927  16.339
  259    H    LYS  35           H        LYS  35 -18.761  41.966  13.848
  260    HA   LYS  35           HA       LYS  35 -20.628  40.307  12.223
  261    HB2  LYS  35           H42      LYS  35 -17.930  41.517  11.414
  262    HB3  LYS  35           H43      LYS  35 -18.825  40.307  10.464
  263    HG2  LYS  35           H23      LYS  35 -20.741  41.932  10.230
  264    HG3  LYS  35           H22      LYS  35 -19.826  43.146  11.157
  265    HD2  LYS  35           H33      LYS  35 -18.063  43.233   9.395
  266    HD3  LYS  35           H32      LYS  35 -18.824  41.859   8.557
  267    HE2  LYS  35           H53      LYS  35 -19.429  43.752   7.272
  268    HE3  LYS  35           H52      LYS  35 -20.903  43.298   8.163
  269    HZ1  LYS  35           H71      LYS  35 -20.389  45.111   9.782
  270    HZ2  LYS  35           H72      LYS  35 -18.983  45.545   8.815
  271    HZ3  LYS  35           H73      LYS  35 -20.594  45.696   8.142
  272    HA   PRO  36           HA       PRO  36 -18.628  37.518  14.902
  273    HB2  PRO  36           HB2      PRO  36 -18.824  35.019  13.627
  274    HB3  PRO  36           HB3      PRO  36 -20.239  35.944  14.211
  275    HG2  PRO  36           HG2      PRO  36 -19.041  36.015  11.401
  276    HG3  PRO  36           HG3      PRO  36 -20.735  35.605  11.824
  277    HD2  PRO  36           HD2      PRO  36 -20.147  38.169  11.083
  278    HD3  PRO  36           HD3      PRO  36 -21.178  37.919  12.546
  279    HA   PRO  37           HA       PRO  37 -14.357  36.913  13.572
  280    HB2  PRO  37           HB2      PRO  37 -13.355  35.308  15.604
  281    HB3  PRO  37           HB3      PRO  37 -14.122  36.878  15.967
  282    HG2  PRO  37           HG2      PRO  37 -15.517  34.143  15.944
  283    HG3  PRO  37           HG3      PRO  37 -15.349  35.227  17.365
  284    HD2  PRO  37           HD2      PRO  37 -17.597  35.340  15.756
  285    HD3  PRO  37           HD3      PRO  37 -16.844  36.868  16.373
  286    HA   PRO  38           HA       PRO  38 -13.998  33.285  10.977
  287    HB2  PRO  38           HB2      PRO  38 -11.728  32.298  12.829
  288    HB3  PRO  38           HB3      PRO  38 -11.791  32.221  11.040
  289    HG2  PRO  38           HG2      PRO  38 -10.409  34.245  12.069
  290    HG3  PRO  38           HG3      PRO  38 -11.708  34.676  10.901
  291    HD2  PRO  38           HD2      PRO  38 -11.889  34.697  13.957
  292    HD3  PRO  38           HD3      PRO  38 -12.285  36.060  12.840
  293    H    LYS  39           H        LYS  39 -13.764  32.586  14.559
  294    HA   LYS  39           HA       LYS  39 -15.397  30.091  14.156
  295    HB2  LYS  39           H42      LYS  39 -13.985  31.232  16.634
  296    HB3  LYS  39           H43      LYS  39 -14.857  29.680  16.549
  297    HG2  LYS  39           H23      LYS  39 -13.237  28.859  14.806
  298    HG3  LYS  39           H22      LYS  39 -12.346  30.402  14.915
  299    HD2  LYS  39           H33      LYS  39 -11.911  29.950  17.373
  300    HD3  LYS  39           H32      LYS  39 -12.746  28.378  17.209
  301    HE2  LYS  39           H53      LYS  39 -11.041  27.687  15.458
  302    HE3  LYS  39           H52      LYS  39 -10.193  29.237  15.703
  303    HZ1  LYS  39           H71      LYS  39  -9.146  27.443  16.985
  304    HZ2  LYS  39           H73      LYS  39 -10.670  27.075  17.780
  305    HZ3  LYS  39           H72      LYS  39  -9.866  28.608  18.088
  306    HN1  NH2  40           H11      LYS  39 -17.933  32.784  14.659
  307    HN2  NH2  40           H12      LYS  39 -16.858  32.360  13.386
  308    H93  EVT 101           H93      XXX  40 -17.836  14.751   8.953
  309    H92  EVT 101           H92      XXX  40 -16.347  13.830   8.647
  310   H103  EVT 101          H103      XXX  40 -17.284  15.010  11.334
  311   H102  EVT 101          H102      XXX  40 -16.970  13.307  10.918
  312    H11  EVT 101           H11      XXX  40 -14.942  15.582  11.290
  313   H122  EVT 101          H122      XXX  40 -12.867  13.029   8.192
  314   H123  EVT 101          H123      XXX  40 -11.612  14.287   8.317
  315   H133  EVT 101          H133      XXX  40 -10.744  12.075   9.118
  316   H132  EVT 101          H132      XXX  40 -12.049  11.985  10.330
  317   H143  EVT 101          H143      XXX  40 -11.154  14.102  11.417
  318   H142  EVT 101          H142      XXX  40  -9.830  14.133  10.216
  319   H153  EVT 101          H153      XXX  40  -9.061  11.869  11.063
  320   H152  EVT 101          H152      XXX  40 -10.384  11.887  12.265
  321    H6   EVT 101           H6       XXX  40 -17.308  17.149   9.969
  322   H163  EVT 101          H163      XXX  40  -9.420  14.020  13.255
  323   H162  EVT 101          H162      XXX  40  -8.057  13.905  12.104
  324   H173  EVT 101          H173      XXX  40  -7.460  11.643  13.086
  325   H172  EVT 101          H172      XXX  40  -8.803  11.812  14.254
  326   H183  EVT 101          H183      XXX  40  -7.712  13.923  15.155
  327   H182  EVT 101          H182      XXX  40  -6.346  13.662  14.034
  328   H193  EVT 101          H193      XXX  40  -5.918  11.412  15.138
  329   H192  EVT 101          H192      XXX  40  -7.257  11.738  16.273
  330   H203  EVT 101          H203      XXX  40  -6.019  13.804  17.087
  331   H202  EVT 101          H202      XXX  40  -4.672  13.400  15.986
  332   H213  EVT 101          H213      XXX  40  -4.400  11.178  17.180
  333   H212  EVT 101          H212      XXX  40  -5.702  11.650  18.307
  334   H223  EVT 101          H223      XXX  40  -4.329  13.656  19.006
  335   H222  EVT 101          H222      XXX  40  -3.008  13.118  17.927
  336    H25  EVT 101           H25      XXX  40 -14.415  12.819  10.202
  337   H293  EVT 101          H293      XXX  40  -2.956  10.903  19.223
  338   H292  EVT 101          H292      XXX  40  -4.108  11.610  20.386
  339   H303  EVT 101          H303      XXX  40  -1.261  12.636  19.755
  340   H302  EVT 101          H302      XXX  40  -1.756  11.716  21.197
  341   H313  EVT 101          H313      XXX  40  -3.320  13.626  21.842
  342   H312  EVT 101          H312      XXX  40  -2.675  14.574  20.470
  343   H321  EVT 101          H321      XXX  40  -1.008  13.512  22.839
  344   H323  EVT 101          H323      XXX  40  -1.515  15.205  22.570
  345   H322  EVT 101          H322      XXX  40  -0.363  14.427  21.441
  346   H353  EVT 101          H353      XXX  40 -17.150  19.682   7.133
  347   H352  EVT 101          H352      XXX  40 -18.329  18.805   8.143
  348   H363  EVT 101          H363      XXX  40 -17.122  19.641  10.219
  349   H362  EVT 101          H362      XXX  40 -15.961  20.502   9.175
  350    H37  EVT 101           H37      XXX  40 -15.304  18.319   8.130
  Start of MODEL   10
    1    H1   HIS   1           H1       HIS   1  -9.209   5.453  -3.364
    2    H2   HIS   1           H2       HIS   1  -8.339   5.165  -1.887
    3    H3   HIS   1           H3       HIS   1  -9.103   3.847  -2.723
    4    HA   HIS   1           HA       HIS   1 -11.310   4.806  -2.295
    5    HB2  HIS   1           HB2      HIS   1  -9.582   4.534   0.234
    6    HB3  HIS   1           HB3      HIS   1 -11.352   4.705   0.258
    7    HD1  HIS   1           HD1      HIS   1  -8.669   2.291  -0.726
    8    HD2  HIS   1           HD2      HIS   1 -12.856   2.589  -0.536
    9    HE1  HIS   1           HE1      HIS   1  -9.537  -0.062  -1.053
   10    H    AIB   2           H        AIB   2 -12.659   6.565  -1.428
   11   HB11  AIB   2           H31      AIB   2 -13.671   9.995  -0.728
   12   HB12  AIB   2           H32      AIB   2 -14.138   8.628  -1.774
   13   HB13  AIB   2           H33      AIB   2 -13.926   8.383  -0.025
   14   HB21  AIB   2           H21      AIB   2 -12.150   8.822  -3.316
   15   HB22  AIB   2           H22      AIB   2 -11.777  10.336  -2.463
   16   HB23  AIB   2           H23      AIB   2 -10.518   9.108  -2.674
   17    H    GLN   3           H        GLN   3 -12.024   7.666   1.294
   18    HA   GLN   3           HA       GLN   3 -11.185   8.459   3.318
   19    HB2  GLN   3           H42      GLN   3  -8.728   8.836   1.526
   20    HB3  GLN   3           H43      GLN   3  -8.719   8.925   3.307
   21    HG2  GLN   3           H32      GLN   3  -9.596   6.563   3.437
   22    HG3  GLN   3           H33      GLN   3  -9.544   6.469   1.662
   23   HE21  GLN   3           H61      GLN   3  -6.013   6.479   3.899
   24   HE22  GLN   3           H62      GLN   3  -7.431   7.176   4.583
   25    H    GLY   4           H        GLY   4 -12.936  10.266   2.399
   26    HA2  GLY   4           HA2      GLY   4 -13.380  12.386   3.328
   27    HA3  GLY   4           HA3      GLY   4 -11.668  12.755   3.432
   28    H    THR   5           H        THR   5 -14.469  13.382   1.518
   29    HA   THR   5           HA       THR   5 -12.710  14.804  -0.383
   30    HB   THR   5           HB       THR   5 -14.809  12.843  -1.408
   31    HG1  THR   5           HG1      THR   5 -11.957  12.650  -1.415
   32   HG21  THR   5          HG21      THR   5 -12.715  14.553  -2.906
   33   HG22  THR   5          HG22      THR   5 -13.879  13.427  -3.647
   34   HG23  THR   5          HG23      THR   5 -14.461  14.918  -2.855
   35    H    PHE   6           H        PHE   6 -16.311  14.029   0.043
   36    HA   PHE   6           HA       PHE   6 -17.013  16.802  -0.437
   37    HB2  PHE   6           HB2      PHE   6 -18.862  15.288  -0.663
   38    HB3  PHE   6           HB3      PHE   6 -18.505  14.466   0.866
   39    HD1  PHE   6           HD1      PHE   6 -19.656  17.758  -0.549
   40    HD2  PHE   6           HD2      PHE   6 -19.373  15.289   2.964
   41    HE1  PHE   6           HE1      PHE   6 -21.188  19.287   0.658
   42    HE2  PHE   6           HE2      PHE   6 -20.946  16.777   4.138
   43    HZ   PHE   6           HZ       PHE   6 -21.840  18.797   3.000
   44    H    THR   7           H        THR   7 -16.688  14.828   2.652
   45    HA   THR   7           HA       THR   7 -17.042  17.134   4.264
   46    HB   THR   7           HB       THR   7 -17.197  14.778   5.137
   47    HG1  THR   7           HG1      THR   7 -15.534  16.598   6.591
   48   HG21  THR   7          HG21      THR   7 -15.002  13.925   4.138
   49   HG22  THR   7          HG22      THR   7 -14.107  14.930   5.315
   50   HG23  THR   7          HG23      THR   7 -15.158  13.605   5.882
   51    H    SER   8           H        SER   8 -14.073  15.740   2.647
   52    HA   SER   8           HA       SER   8 -12.238  17.403   4.079
   53    HB2  SER   8           HB2      SER   8 -11.446  15.568   2.551
   54    HB3  SER   8           HB3      SER   8 -12.067  16.495   1.147
   55    HG   SER   8           HG       SER   8  -9.788  16.981   1.563
   56    H    ASP   9           H        ASP   9 -14.238  17.915   1.024
   57    HA   ASP   9           HA       ASP   9 -13.129  20.534   0.650
   58    HB2  ASP   9           HB2      ASP   9 -15.822  19.397  -0.343
   59    HB3  ASP   9           HB3      ASP   9 -15.108  20.940  -0.882
   60    H    LEU  10           H        LEU  10 -15.857  19.338   2.788
   61    HA   LEU  10           HA       LEU  10 -16.648  22.042   3.412
   62    HB2  LEU  10           HB2      LEU  10 -16.542  19.632   5.321
   63    HB3  LEU  10           HB3      LEU  10 -17.251  21.213   5.711
   64    HG   LEU  10           HG       LEU  10 -18.291  19.319   3.515
   65   HD11  LEU  10          HD11      LEU  10 -18.574  18.353   5.819
   66   HD12  LEU  10          HD12      LEU  10 -19.306  19.878   6.385
   67   HD13  LEU  10          HD13      LEU  10 -20.142  18.884   5.163
   68   HD21  LEU  10          HD21      LEU  10 -19.489  21.897   4.712
   69   HD22  LEU  10          HD22      LEU  10 -18.907  21.701   3.034
   70   HD23  LEU  10          HD23      LEU  10 -20.329  20.795   3.589
   71    H    SER  11           H        SER  11 -14.120  19.785   4.874
   72    HA   SER  11           HA       SER  11 -13.259  21.614   6.788
   73    HB2  SER  11           HB2      SER  11 -11.443  19.648   5.255
   74    HB3  SER  11           HB3      SER  11 -11.030  20.528   6.740
   75    HG   SER  11           HG       SER  11 -13.128  18.584   6.581
   76    H    LYS  12           H        LYS  12 -12.420  21.490   3.259
   77    HA   LYS  12           HA       LYS  12 -10.371  23.583   3.696
   78    HB2  LYS  12           HB2      LYS  12 -11.365  22.515   1.006
   79    HB3  LYS  12           HB3      LYS  12  -9.880  23.429   1.354
   80    HG2  LYS  12           HG2      LYS  12 -10.489  20.481   1.931
   81    HG3  LYS  12           HG3      LYS  12  -9.107  21.195   1.093
   82    HD2  LYS  12           HD2      LYS  12  -8.341  22.153   3.350
   83    HD3  LYS  12           HD3      LYS  12  -9.684  21.244   4.107
   84    HE2  LYS  12           HE2      LYS  12  -8.730  19.097   3.192
   85    HE3  LYS  12           HE3      LYS  12  -7.326  20.015   2.578
   86    HZ1  LYS  12           HZ1      LYS  12  -6.867  20.748   4.930
   87    HZ2  LYS  12           HZ2      LYS  12  -8.217  19.807   5.480
   88    HZ3  LYS  12           HZ3      LYS  12  -6.847  19.008   4.777
   89    H    GLN  13           H        GLN  13 -13.704  23.364   2.281
   90    HA   GLN  13           HA       GLN  13 -13.633  26.097   1.350
   91    HB2  GLN  13           HB2      GLN  13 -16.003  24.229   1.940
   92    HB3  GLN  13           HB3      GLN  13 -16.169  25.866   1.275
   93    HG2  GLN  13           HG2      GLN  13 -14.767  25.308  -0.695
   94    HG3  GLN  13           HG3      GLN  13 -14.532  23.655  -0.116
   95   HE21  GLN  13          HE21      GLN  13 -17.952  22.621  -0.825
   96   HE22  GLN  13          HE22      GLN  13 -16.749  22.401   0.388
   97    H    LYS  14           H        LYS  14 -14.828  24.516   4.433
   98    HA   LYS  14           HA       LYS  14 -15.753  26.863   5.662
   99    HB2  LYS  14           HB2      LYS  14 -14.122  24.651   7.076
  100    HB3  LYS  14           HB3      LYS  14 -14.967  26.012   7.849
  101    HG2  LYS  14           HG2      LYS  14 -17.162  25.048   6.772
  102    HG3  LYS  14           HG3      LYS  14 -16.212  23.582   6.465
  103    HD2  LYS  14           HD2      LYS  14 -15.516  23.822   9.055
  104    HD3  LYS  14           HD3      LYS  14 -16.943  24.874   9.114
  105    HE2  LYS  14           HE2      LYS  14 -17.723  22.696   9.753
  106    HE3  LYS  14           HE3      LYS  14 -18.252  22.835   8.055
  107    HZ1  LYS  14           HZ1      LYS  14 -15.683  21.607   8.086
  108    H    ASP  15           H        ASP  15 -12.389  25.407   5.569
  109    HA   ASP  15           HA       ASP  15 -11.173  27.396   7.080
  110    HB2  ASP  15           H32      ASP  15 -10.085  25.254   6.277
  111    HB3  ASP  15           H33      ASP  15  -9.790  26.031   4.707
  112    H    GLU  16           H        GLU  16 -11.603  27.311   3.442
  113    HA   GLU  16           HA       GLU  16 -10.254  29.768   2.971
  114    HB2  GLU  16           HB2      GLU  16 -12.515  28.408   1.400
  115    HB3  GLU  16           HB3      GLU  16 -11.757  29.925   0.866
  116    HG2  GLU  16           HG2      GLU  16 -10.152  27.346   1.346
  117    HG3  GLU  16           HG3      GLU  16 -10.766  27.874  -0.241
  118    H    GLN  17           H        GLN  17 -13.797  29.136   3.667
  119    HA   GLN  17           HA       GLN  17 -14.521  31.900   3.351
  120    HB2  GLN  17           H42      GLN  17 -16.187  30.082   3.359
  121    HB3  GLN  17           H43      GLN  17 -15.818  29.691   5.059
  122    HG2  GLN  17           H32      GLN  17 -16.634  31.987   5.753
  123    HG3  GLN  17           H33      GLN  17 -16.953  32.374   4.040
  124   HE21  GLN  17           H61      GLN  17 -19.361  29.571   5.996
  125   HE22  GLN  17           H62      GLN  17 -17.775  29.853   6.592
  126    H    ARG  18           H        ARG  18 -13.675  29.943   6.283
  127    HA   ARG  18           HA       ARG  18 -13.825  32.011   8.200
  128    HB2  ARG  18           H42      ARG  18 -11.984  29.567   7.952
  129    HB3  ARG  18           H43      ARG  18 -11.959  30.586   9.394
  130    HG2  ARG  18           H33      ARG  18 -14.230  30.065   9.997
  131    HG3  ARG  18           H32      ARG  18 -14.606  29.371   8.406
  132    HD2  ARG  18           H52      ARG  18 -13.088  27.476   8.797
  133    HD3  ARG  18           H53      ARG  18 -12.642  28.143  10.406
  134    HE   ARG  18           H10      ARG  18 -15.488  27.902  10.290
  135   HH11  ARG  18           H71      ARG  18 -16.503  26.192  11.338
  136   HH12  ARG  18           H72      ARG  18 -15.654  24.727  11.675
  137   HH21  ARG  18           H81      ARG  18 -12.608  25.797  10.323
  138   HH22  ARG  18           H82      ARG  18 -13.463  24.491  11.127
  139    H    ALA  19           H        ALA  19 -11.282  31.401   5.722
  140    HA   ALA  19           HA       ALA  19  -9.380  33.159   7.104
  141    HB1  ALA  19           H21      ALA  19  -9.143  31.724   4.403
  142    HB2  ALA  19           H22      ALA  19  -7.838  32.574   5.278
  143    HB3  ALA  19           H23      ALA  19  -8.572  31.104   5.974
  144    H    LYS  20           H        LYS  20 -11.209  33.141   3.885
  145    HA   LYS  20           HA       LYS  20 -10.399  35.699   3.054
  146    HB2  LYS  20           H42      LYS  20 -11.783  34.105   1.648
  147    HB3  LYS  20           H43      LYS  20 -13.144  34.295   2.778
  148    HG2  LYS  20           H23      LYS  20 -13.194  36.785   2.207
  149    HG3  LYS  20           H22      LYS  20 -11.918  36.493   0.995
  150    HD2  LYS  20           H33      LYS  20 -13.432  34.884  -0.209
  151    HD3  LYS  20           H32      LYS  20 -14.688  35.112   1.036
  152    HE2  LYS  20           H53      LYS  20 -14.786  37.563   0.478
  153    HE3  LYS  20           H52      LYS  20 -13.586  37.290  -0.814
  154    HZ1  LYS  20           H71      LYS  20 -15.890  37.321  -1.684
  155    HZ2  LYS  20           H72      LYS  20 -15.154  35.741  -1.914
  156    HZ3  LYS  20           H73      LYS  20 -16.324  35.989  -0.623
  157    H    LEU  21           H        LEU  21 -13.097  34.600   5.272
  158    HA   LEU  21           HA       LEU  21 -13.977  37.246   5.866
  159    HB2  LEU  21           HB2      LEU  21 -13.948  34.747   7.670
  160    HB3  LEU  21           HB3      LEU  21 -14.603  36.318   8.170
  161    HG   LEU  21           HG       LEU  21 -15.697  34.616   5.854
  162   HD11  LEU  21          HD11      LEU  21 -17.567  34.170   7.472
  163   HD12  LEU  21          HD12      LEU  21 -16.006  33.588   8.100
  164   HD13  LEU  21          HD13      LEU  21 -16.700  35.109   8.728
  165   HD21  LEU  21          HD21      LEU  21 -17.685  36.209   6.042
  166   HD22  LEU  21          HD22      LEU  21 -16.701  37.239   7.114
  167   HD23  LEU  21          HD23      LEU  21 -16.227  36.984   5.414
  168    H    PHE  22           H        PHE  22 -11.686  35.075   7.825
  169    HA   PHE  22           HA       PHE  22 -11.180  36.758   9.778
  170    HB2  PHE  22           HB2      PHE  22  -9.952  34.620   9.625
  171    HB3  PHE  22           HB3      PHE  22  -8.995  35.224   8.268
  172    HD1  PHE  22           HD1      PHE  22  -6.997  36.549   8.667
  173    HD2  PHE  22           HD2      PHE  22  -9.804  36.016  11.881
  174    HE1  PHE  22           HE1      PHE  22  -5.246  37.161  10.301
  175    HE2  PHE  22           HE2      PHE  22  -8.076  36.724  13.503
  176    HZ   PHE  22           HZ       PHE  22  -5.748  37.136  12.732
  177    H    ILE  23           H        ILE  23  -9.258  37.033   6.679
  178    HA   ILE  23           HA       ILE  23  -7.998  39.396   7.779
  179    HB   ILE  23           HB       ILE  23  -6.968  37.715   6.094
  180   HG12  ILE  23          HG12      ILE  23  -5.631  39.482   4.850
  181   HG13  ILE  23          HG13      ILE  23  -6.664  40.723   5.593
  182   HG21  ILE  23          HG21      ILE  23  -8.899  37.792   4.437
  183   HG22  ILE  23          HG22      ILE  23  -8.447  39.473   4.041
  184   HG23  ILE  23          HG23      ILE  23  -7.323  38.133   3.688
  185   HD11  ILE  23          HD11      ILE  23  -4.922  38.677   7.143
  186   HD12  ILE  23          HD12      ILE  23  -4.441  40.353   6.766
  187   HD13  ILE  23          HD13      ILE  23  -5.795  40.051   7.873
  188    H    GLU  24           H        GLU  24 -10.807  38.949   5.494
  189    HA   GLU  24           HA       GLU  24 -10.858  41.812   4.906
  190    HB2  GLU  24           HB2      GLU  24 -13.036  39.674   4.524
  191    HB3  GLU  24           HB3      GLU  24 -13.188  41.389   4.065
  192    HG2  GLU  24           HG2      GLU  24 -11.264  41.161   2.491
  193    HG3  GLU  24           HG3      GLU  24 -11.011  39.485   3.025
  194    H    TRP  25           H        TRP  25 -12.961  39.584   6.871
  195    HA   TRP  25           HA       TRP  25 -14.394  41.256   8.462
  196    HB2  TRP  25           HB2      TRP  25 -14.322  38.791   8.743
  197    HB3  TRP  25           HB3      TRP  25 -12.649  38.861   9.344
  198    HD1  TRP  25           HD1      TRP  25 -16.017  40.343  10.366
  199    HE1  TRP  25           HE1      TRP  25 -16.254  40.098  12.917
  200    HE3  TRP  25           HE3      TRP  25 -11.333  38.552  11.446
  201    HZ2  TRP  25           HZ2      TRP  25 -14.801  39.103  15.019
  202    HZ3  TRP  25           HZ3      TRP  25 -10.758  38.110  13.839
  203    HH2  TRP  25           HH2      TRP  25 -12.505  38.297  15.598
  204    H    LEU  26           H        LEU  26 -10.801  40.547   8.956
  205    HA   LEU  26           HA       LEU  26 -10.721  42.242  11.281
  206    HB2  LEU  26           HB2      LEU  26  -8.451  41.438   9.369
  207    HB3  LEU  26           HB3      LEU  26  -8.237  42.542  10.748
  208    HG   LEU  26           HG       LEU  26  -8.964  39.561  11.001
  209   HD11  LEU  26          HD11      LEU  26  -6.405  41.179  11.554
  210   HD12  LEU  26          HD12      LEU  26  -6.658  39.497  12.057
  211   HD13  LEU  26          HD13      LEU  26  -6.646  39.908  10.321
  212   HD21  LEU  26          HD21      LEU  26  -8.618  39.901  13.433
  213   HD22  LEU  26          HD22      LEU  26  -8.580  41.672  13.173
  214   HD23  LEU  26          HD23      LEU  26 -10.070  40.725  12.848
  215    H    AIB  27           H        ALA  27  -9.893  42.735   7.734
  216   HB11  AIB  27           H21      ALA  27  -7.862  44.948   8.134
  217   HB12  AIB  27           H22      ALA  27  -8.539  46.534   7.649
  218   HB13  AIB  27           H23      ALA  27  -8.886  45.869   9.258
  219   HB21  AIB  27           H31      ALA  27  -8.887  44.068   5.878
  220   HB22  AIB  27           H32      ALA  27 -10.649  44.186   5.630
  221   HB23  AIB  27           H33      ALA  27  -9.648  45.654   5.581
  222    H    ALA  28           H        ALA  28 -12.524  44.114   7.752
  223    HA   ALA  28           HA       ALA  28 -13.780  46.641   7.421
  224    HB1  ALA  28           H21      ALA  28 -14.773  44.201   9.046
  225    HB2  ALA  28           H22      ALA  28 -15.786  45.565   8.500
  226    HB3  ALA  28           H23      ALA  28 -15.043  44.470   7.305
  227    H    GLY  29           H        GLY  29 -12.151  45.132  10.229
  228    HA2  GLY  29           HA2      GLY  29 -11.692  46.929  11.974
  229    HA3  GLY  29           HA3      GLY  29 -13.465  46.972  12.161
  230    H    GLY  30           H        GLY  30 -13.611  43.896  11.421
  231    HA2  GLY  30           HA2      GLY  30 -13.344  41.874  12.562
  232    HA3  GLY  30           HA3      GLY  30 -12.244  42.665  13.682
  233    HA   PRO  31           HA       PRO  31 -16.279  41.879  15.880
  234    HB2  PRO  31           HB2      PRO  31 -14.582  43.194  18.067
  235    HB3  PRO  31           HB3      PRO  31 -15.768  41.862  18.237
  236    HG2  PRO  31           HG2      PRO  31 -13.109  41.244  18.065
  237    HG3  PRO  31           HG3      PRO  31 -14.280  40.332  17.069
  238    HD2  PRO  31           HD2      PRO  31 -12.477  42.650  16.160
  239    HD3  PRO  31           HD3      PRO  31 -12.793  41.086  15.352
  240    HA   PRO  32           HA       PRO  32 -17.225  46.459  17.003
  241    HB2  PRO  32           HB2      PRO  32 -15.704  48.486  15.817
  242    HB3  PRO  32           HB3      PRO  32 -15.303  47.760  17.400
  243    HG2  PRO  32           HG2      PRO  32 -14.178  46.915  14.692
  244    HG3  PRO  32           HG3      PRO  32 -13.243  47.404  16.141
  245    HD2  PRO  32           HD3      PRO  32 -13.645  44.796  15.641
  246    HD3  PRO  32           HD2      PRO  32 -13.914  45.359  17.327
  247    H    SER  33           H        SER  33 -16.139  45.232  13.782
  248    HA   SER  33           HA       SER  33 -17.970  46.870  12.278
  249    HB2  SER  33           HB2      SER  33 -17.021  44.018  11.642
  250    HB3  SER  33           HB3      SER  33 -17.622  45.231  10.486
  251    HG   SER  33           HG       SER  33 -15.700  46.497  11.093
  252    H    AIB  34           H        AIB  34 -18.737  44.495  14.715
  253   HB11  AIB  34           H31      AIB  34 -21.762  45.602  14.817
  254   HB12  AIB  34           H32      AIB  34 -22.034  45.182  13.111
  255   HB13  AIB  34           H33      AIB  34 -22.814  44.231  14.393
  256   HB21  AIB  34           H21      AIB  34 -19.769  42.479  15.698
  257   HB22  AIB  34           H22      AIB  34 -20.604  43.897  16.377
  258   HB23  AIB  34           H23      AIB  34 -21.549  42.517  15.746
  259    H    LYS  35           H        LYS  35 -18.802  42.139  13.449
  260    HA   LYS  35           HA       LYS  35 -20.654  40.570  11.692
  261    HB2  LYS  35           H42      LYS  35 -17.817  41.628  11.197
  262    HB3  LYS  35           H43      LYS  35 -18.500  40.259  10.275
  263    HG2  LYS  35           H23      LYS  35 -20.362  41.704   9.464
  264    HG3  LYS  35           H22      LYS  35 -19.724  43.067  10.432
  265    HD2  LYS  35           H33      LYS  35 -17.676  43.175   9.063
  266    HD3  LYS  35           H32      LYS  35 -18.094  41.666   8.227
  267    HE2  LYS  35           H53      LYS  35 -18.535  43.603   6.776
  268    HE3  LYS  35           H52      LYS  35 -20.040  42.716   7.123
  269    HZ1  LYS  35           H71      LYS  35 -19.170  45.229   8.551
  270    HZ2  LYS  35           H72      LYS  35 -20.281  45.176   7.193
  271    HZ3  LYS  35           H73      LYS  35 -20.715  44.404   8.707
  272    HA   PRO  36           HA       PRO  36 -19.430  37.659  14.573
  273    HB2  PRO  36           HB2      PRO  36 -19.645  35.176  13.308
  274    HB3  PRO  36           HB3      PRO  36 -21.049  36.275  13.505
  275    HG2  PRO  36           HG2      PRO  36 -19.171  36.162  11.099
  276    HG3  PRO  36           HG3      PRO  36 -20.938  35.885  11.065
  277    HD2  PRO  36           HD2      PRO  36 -19.981  38.378  10.513
  278    HD3  PRO  36           HD3      PRO  36 -21.366  38.244  11.658
  279    HA   PRO  37           HA       PRO  37 -15.051  36.451  14.301
  280    HB2  PRO  37           HB2      PRO  37 -16.046  33.715  15.296
  281    HB3  PRO  37           HB3      PRO  37 -14.612  34.609  15.889
  282    HG2  PRO  37           HG2      PRO  37 -16.850  34.732  17.386
  283    HG3  PRO  37           HG3      PRO  37 -16.027  36.264  16.962
  284    HD2  PRO  37           HD2      PRO  37 -18.520  35.089  15.580
  285    HD3  PRO  37           HD3      PRO  37 -18.222  36.745  16.229
  286    HA   PRO  38           HA       PRO  38 -14.458  34.136  10.449
  287    HB2  PRO  38           HB2      PRO  38 -12.950  32.155  12.251
  288    HB3  PRO  38           HB3      PRO  38 -12.544  32.605  10.568
  289    HG2  PRO  38           HG2      PRO  38 -11.235  33.927  12.520
  290    HG3  PRO  38           HG3      PRO  38 -12.062  34.912  11.277
  291    HD2  PRO  38           HD2      PRO  38 -13.082  34.253  14.089
  292    HD3  PRO  38           HD3      PRO  38 -13.073  35.839  13.229
  293    H    LYS  39           H        LYS  39 -15.398  31.894  13.266
  294    HA   LYS  39           HA       LYS  39 -16.521  30.003  11.374
  295    HB2  LYS  39           H42      LYS  39 -17.161  30.258  14.366
  296    HB3  LYS  39           H43      LYS  39 -17.705  28.958  13.275
  297    HG2  LYS  39           H23      LYS  39 -15.287  28.404  12.764
  298    HG3  LYS  39           H22      LYS  39 -14.784  29.598  13.988
  299    HD2  LYS  39           H33      LYS  39 -16.154  28.296  15.715
  300    HD3  LYS  39           H32      LYS  39 -16.422  27.043  14.477
  301    HE2  LYS  39           H53      LYS  39 -13.681  27.952  15.585
  302    HE3  LYS  39           H52      LYS  39 -14.561  26.471  16.036
  303    HZ1  LYS  39           H71      LYS  39 -13.401  27.106  13.322
  304    HZ2  LYS  39           H73      LYS  39 -14.419  25.716  13.680
  305    HZ3  LYS  39           H72      LYS  39 -12.859  25.898  14.466
  306    HN1  NH2  40           H11      LYS  39 -19.445  32.690  12.615
  307    HN2  NH2  40           H12      LYS  39 -17.983  32.609  13.523
  308    H93  EVT 101           H93      XXX  40 -16.900  14.079   8.417
  309    H92  EVT 101           H92      XXX  40 -15.445  13.092   8.236
  310   H103  EVT 101          H103      XXX  40 -16.765  13.950  10.878
  311   H102  EVT 101          H102      XXX  40 -16.684  12.305  10.203
  312    H11  EVT 101           H11      XXX  40 -14.312  13.981  11.197
  313   H122  EVT 101          H122      XXX  40 -11.846  11.253   8.870
  314   H123  EVT 101          H123      XXX  40 -10.640  11.409  10.163
  315   H133  EVT 101          H133      XXX  40 -12.898   9.298  10.081
  316   H132  EVT 101          H132      XXX  40 -11.727   9.515  11.409
  317   H143  EVT 101          H143      XXX  40  -9.843   9.120   9.746
  318   H142  EVT 101          H142      XXX  40 -11.054   8.739   8.499
  319   H153  EVT 101          H153      XXX  40 -11.843   6.780   9.814
  320   H152  EVT 101          H152      XXX  40 -10.804   7.244  11.191
  321    H6   EVT 101           H6       XXX  40 -16.527  16.250   9.789
  322   H163  EVT 101          H163      XXX  40  -8.762   6.926   9.833
  323   H162  EVT 101          H162      XXX  40  -9.731   6.452   8.412
  324   H173  EVT 101          H173      XXX  40 -10.546   4.431   9.568
  325   H172  EVT 101          H172      XXX  40  -9.796   4.943  11.103
  326   H183  EVT 101          H183      XXX  40  -7.540   4.811  10.086
  327   H182  EVT 101          H182      XXX  40  -8.233   4.298   8.527
  328   H193  EVT 101          H193      XXX  40  -9.190   2.253   9.597
  329   H192  EVT 101          H192      XXX  40  -8.475   2.717  11.163
  330   H203  EVT 101          H203      XXX  40  -6.872   2.121   8.587
  331   H202  EVT 101          H202      XXX  40  -7.148   0.968   9.916
  332   H213  EVT 101          H213      XXX  40  -5.960   2.526  11.514
  333   H212  EVT 101          H212      XXX  40  -5.569   3.610  10.150
  334   H223  EVT 101          H223      XXX  40  -4.324   1.798   9.011
  335   H222  EVT 101          H222      XXX  40  -4.662   0.680  10.366
  336    H25  EVT 101           H25      XXX  40 -14.250  11.556   9.586
  337   H293  EVT 101          H293      XXX  40  -3.498   2.256  11.952
  338   H292  EVT 101          H292      XXX  40  -3.079   3.326  10.592
  339   H303  EVT 101          H303      XXX  40  -2.151   0.396  10.920
  340   H302  EVT 101          H302      XXX  40  -1.199   1.842  11.336
  341   H313  EVT 101          H313      XXX  40  -1.312   2.587   8.903
  342   H312  EVT 101          H312      XXX  40  -2.122   1.046   8.499
  343   H321  EVT 101          H321      XXX  40   0.318   0.889   8.034
  344   H323  EVT 101          H323      XXX  40  -0.131  -0.233   9.353
  345   H322  EVT 101          H322      XXX  40   0.695   1.309   9.729
  346   H353  EVT 101          H353      XXX  40 -15.677  19.205   7.572
  347   H352  EVT 101          H352      XXX  40 -17.050  18.235   8.154
  348   H363  EVT 101          H363      XXX  40 -16.280  18.644  10.545
  349   H362  EVT 101          H362      XXX  40 -14.897  19.563   9.906
  350    H37  EVT 101           H37      XXX  40 -14.114  17.528   8.682