A1IGU5_Q8TE68.1
contacts (residues)
Receptor
R: Secondary Structure
R: Residue
R; Chain
R: Residue number
Ligand
L: Secondary Structure
L: Residue
L: Chain
L: Residue Number
R
H
LYS
A
16
L
H
GLN
V
358
R
H
ARG
A
181
L
H
GLU
V
285
R
H
ARG
A
181
L
H
ASN
V
289
R
-
PRO
A
183
L
H
PHE
V
424
R
H
ARG
A
24
L
H
LEU
V
281
R
-
SER
A
312
L
H
ARG
V
275
R
H
ALA
A
314
L
H
ARG
V
275
R
H
GLN
A
321
L
H
GLN
V
411
R
-
PRO
A
414
L
H
LEU
V
412
R
-
ARG
A
417
L
H
GLN
V
419
R
-
GLU
A
419
L
H
MET
V
414
R
-
GLU
A
419
L
H
GLN
V
415
R
-
GLU
A
425
L
H
GLY
V
418
R
-
GLU
A
425
L
H
GLN
V
419
R
-
GLU
A
425
L
H
MET
V
421
R
-
GLU
A
425
L
H
CYS
V
422
R
-
PRO
A
427
L
H
ARG
V
429
R
-
VAL
A
428
L
H
CYS
V
422
R
-
VAL
A
428
L
H
THR
V
426
R
-
VAL
A
428
L
H
ARG
V
429
R
-
THR
A
429
L
H
ARG
V
429
R
-
THR
A
5
L
H
TYR
V
302
R
-
ARG
A
502
L
H
ARG
V
57
R
-
ARG
A
502
L
H
ASP
V
76
R
-
ARG
A
502
L
H
LYS
V
80
R
S
VAL
A
504
L
H
ARG
V
57
R
-
PRO
A
520
L
-
GLN
V
61
R
-
ALA
A
521
L
-
GLN
V
61
R
S
TYR
A
535
L
H
GLN
V
50
R
S
TYR
A
535
L
H
ALA
V
53
R
S
TYR
A
535
L
H
SER
V
54
R
-
PRO
A
536
L
H
SER
V
54
R
-
PRO
A
538
L
H
SER
V
54
R
-
PRO
A
538
L
H
ASP
V
55
R
-
PRO
A
538
L
H
SER
V
58
R
-
ARG
A
539
L
H
HIS
V
47
R
-
ARG
A
539
L
H
LEU
V
51
R
-
ARG
A
539
L
H
ASP
V
55
R
-
ARG
A
539
L
H
ARG
V
59
R
-
LEU
A
540
L
H
ARG
V
59
R
-
HIS
A
541
L
H
ALA
V
151
R
-
HIS
A
541
L
H
VAL
V
152
R
-
HIS
A
541
L
H
ARG
V
59
R
-
PRO
A
554
L
H
SER
V
158
R
-
PRO
A
555
L
H
PRO
V
154
R
-
PRO
A
555
L
H
GLN
V
155
R
-
PRO
A
555
L
H
GLY
V
157
R
-
PRO
A
557
L
H
SER
V
159
R
-
PRO
A
557
L
H
PHE
V
163
R
-
PRO
A
558
L
H
SER
V
159
R
-
PRO
A
558
L
H
PHE
V
163
R
-
PRO
A
558
L
-
VAL
V
166
R
-
PRO
A
558
L
H
GLN
V
170
R
-
ALA
A
559
L
H
GLN
V
170
R
-
ALA
A
559
L
H
ARG
V
174
R
-
PRO
A
560
L
H
GLN
V
170
R
-
ALA
A
561
L
H
LEU
V
169
R
-
ALA
A
561
L
H
GLN
V
170
R
-
ALA
A
561
L
H
THR
V
173
R
-
PRO
A
562
L
H
GLN
V
170
R
-
PRO
A
562
L
H
THR
V
173
R
-
PRO
A
562
L
H
ARG
V
174
R
-
PRO
A
562
L
H
LEU
V
177
R
-
PRO
A
565
L
H
GLN
V
204
R
-
ARG
A
575
L
H
GLU
V
268
R
-
GLU
A
8
L
H
GLN
V
298
R
-
ALA
A
91
L
H
GLU
V
274
A1IGU5_Q8TE68.1
contacts (residues & atoms)
Receptor
R: Secondary Structure
R: Atom
R: Residue
R; Chain
R: Residue number
Ligand
L: Secondary Structure
L; Atom
L: Residue
L: Chain
L: Residue Number
R
-
C
THR
A
5
L
H
OH
TYR
V
302
R
-
C
THR
A
5
L
H
HE2
TYR
V
302
R
-
CB
THR
A
5
L
H
HE2
TYR
V
302
R
-
O
THR
A
5
L
H
CE2
TYR
V
302
R
-
O
THR
A
5
L
H
OH
TYR
V
302
R
-
O
THR
A
5
L
H
CZ
TYR
V
302
R
-
O
THR
A
5
L
H
HE2
TYR
V
302
R
-
O
THR
A
5
L
H
HH
TYR
V
302
R
-
OG1
THR
A
5
L
H
CE2
TYR
V
302
R
-
OG1
THR
A
5
L
H
OH
TYR
V
302
R
-
OG1
THR
A
5
L
H
CZ
TYR
V
302
R
-
OG1
THR
A
5
L
H
HE2
TYR
V
302
R
-
OG1
THR
A
5
L
H
HH
TYR
V
302
R
-
OE2
GLU
A
8
L
H
HG2
GLN
V
298
R
H
NZ
LYS
A
16
L
H
OE1
GLN
V
358
R
H
NZ
LYS
A
16
L
H
HE22
GLN
V
358
R
H
NH2
ARG
A
24
L
H
CD2
LEU
V
281
R
H
NH2
ARG
A
24
L
H
HD21
LEU
V
281
R
H
NH2
ARG
A
24
L
H
HD22
LEU
V
281
R
H
NH2
ARG
A
24
L
H
HD23
LEU
V
281
R
H
CZ
ARG
A
24
L
H
HD22
LEU
V
281
R
-
C
ALA
A
91
L
H
OE1
GLU
V
274
R
-
O
ALA
A
91
L
H
CD
GLU
V
274
R
-
O
ALA
A
91
L
H
OE1
GLU
V
274
R
-
O
ALA
A
91
L
H
OE2
GLU
V
274
R
H
CG
ARG
A
181
L
H
OD1
ASN
V
289
R
H
CD
ARG
A
181
L
H
OD1
ASN
V
289
R
H
NE
ARG
A
181
L
H
OE1
GLU
V
285
R
H
NE
ARG
A
181
L
H
CG
ASN
V
289
R
H
NE
ARG
A
181
L
H
OD1
ASN
V
289
R
H
NE
ARG
A
181
L
H
HD22
ASN
V
289
R
H
NH1
ARG
A
181
L
H
OD1
ASN
V
289
R
H
NH1
ARG
A
181
L
H
HA
ASN
V
289
R
H
NH2
ARG
A
181
L
H
CD
GLU
V
285
R
H
NH2
ARG
A
181
L
H
OE1
GLU
V
285
R
H
NH2
ARG
A
181
L
H
OE2
GLU
V
285
R
H
NH2
ARG
A
181
L
H
OD1
ASN
V
289
R
H
NH2
ARG
A
181
L
H
HD22
ASN
V
289
R
H
CZ
ARG
A
181
L
H
OE1
GLU
V
285
R
H
CZ
ARG
A
181
L
H
CG
ASN
V
289
R
H
CZ
ARG
A
181
L
H
OD1
ASN
V
289
R
H
CZ
ARG
A
181
L
H
HD22
ASN
V
289
R
-
CB
PRO
A
183
L
H
HE1
PHE
V
424
R
-
CG
PRO
A
183
L
H
HE1
PHE
V
424
R
-
CB
SER
A
312
L
H
HH22
ARG
V
275
R
-
OG
SER
A
312
L
H
HH22
ARG
V
275
R
H
CB
ALA
A
314
L
H
HH12
ARG
V
275
R
H
NE2
GLN
A
321
L
H
HE22
GLN
V
411
R
H
OE1
GLN
A
321
L
H
HE21
GLN
V
411
R
H
OE1
GLN
A
321
L
H
HE22
GLN
V
411
R
-
CG
PRO
A
414
L
H
CD2
LEU
V
412
R
-
CG
PRO
A
414
L
H
HD22
LEU
V
412
R
-
CG
PRO
A
414
L
H
HD23
LEU
V
412
R
-
CD
PRO
A
414
L
H
HD22
LEU
V
412
R
-
NE
ARG
A
417
L
H
OE1
GLN
V
419
R
-
NH1
ARG
A
417
L
H
OE1
GLN
V
419
R
-
NH1
ARG
A
417
L
H
HE22
GLN
V
419
R
-
NH2
ARG
A
417
L
H
CD
GLN
V
419
R
-
NH2
ARG
A
417
L
H
OE1
GLN
V
419
R
-
NH2
ARG
A
417
L
H
HE22
GLN
V
419
R
-
CZ
ARG
A
417
L
H
CD
GLN
V
419
R
-
CZ
ARG
A
417
L
H
OE1
GLN
V
419
R
-
CZ
ARG
A
417
L
H
HE22
GLN
V
419
R
-
CG
GLU
A
419
L
H
HA
GLN
V
415
R
-
CG
GLU
A
419
L
H
HG2
GLN
V
415
R
-
CD
GLU
A
419
L
H
CA
GLN
V
415
R
-
CD
GLU
A
419
L
H
CG
GLN
V
415
R
-
CD
GLU
A
419
L
H
HA
GLN
V
415
R
-
CD
GLU
A
419
L
H
HG2
GLN
V
415
R
-
CD
GLU
A
419
L
H
HG3
GLN
V
415
R
-
OE1
GLU
A
419
L
H
C
MET
V
414
R
-
OE1
GLU
A
419
L
H
O
MET
V
414
R
-
OE1
GLU
A
419
L
H
N
GLN
V
415
R
-
OE1
GLU
A
419
L
H
CA
GLN
V
415
R
-
OE1
GLU
A
419
L
H
C
GLN
V
415
R
-
OE1
GLU
A
419
L
H
CB
GLN
V
415
R
-
OE1
GLU
A
419
L
H
O
GLN
V
415
R
-
OE1
GLU
A
419
L
H
CG
GLN
V
415
R
-
OE1
GLU
A
419
L
H
H
GLN
V
415
R
-
OE1
GLU
A
419
L
H
HA
GLN
V
415
R
-
OE1
GLU
A
419
L
H
HB3
GLN
V
415
R
-
OE1
GLU
A
419
L
H
HG2
GLN
V
415
R
-
OE1
GLU
A
419
L
H
HG3
GLN
V
415
R
-
OE2
GLU
A
419
L
H
HB3
MET
V
414
R
-
OE2
GLU
A
419
L
H
HA
GLN
V
415
R
-
OE2
GLU
A
419
L
H
HG2
GLN
V
415
R
-
OE2
GLU
A
419
L
H
HG3
GLN
V
415
R
-
CB
GLU
A
425
L
H
SG
CYS
V
422
R
-
CB
GLU
A
425
L
H
HG
CYS
V
422
R
-
CG
GLU
A
425
L
H
SG
CYS
V
422
R
-
CG
GLU
A
425
L
H
HG
CYS
V
422
R
-
CD
GLU
A
425
L
H
O
GLY
V
418
R
-
CD
GLU
A
425
L
H
CA
CYS
V
422
R
-
CD
GLU
A
425
L
H
CB
CYS
V
422
R
-
CD
GLU
A
425
L
H
SG
CYS
V
422
R
-
CD
GLU
A
425
L
H
H
CYS
V
422
R
-
CD
GLU
A
425
L
H
HA
CYS
V
422
R
-
CD
GLU
A
425
L
H
HB2
CYS
V
422
R
-
CD
GLU
A
425
L
H
HB3
CYS
V
422
R
-
CD
GLU
A
425
L
H
HG
CYS
V
422
R
-
OE1
GLU
A
425
L
H
CA
GLY
V
418
R
-
OE1
GLU
A
425
L
H
C
GLY
V
418
R
-
OE1
GLU
A
425
L
H
O
GLY
V
418
R
-
OE1
GLU
A
425
L
H
HA2
GLY
V
418
R
-
OE1
GLU
A
425
L
H
HA3
GLY
V
418
R
-
OE1
GLU
A
425
L
H
HA
GLN
V
419
R
-
OE1
GLU
A
425
L
H
HB2
MET
V
421
R
-
OE1
GLU
A
425
L
H
N
CYS
V
422
R
-
OE1
GLU
A
425
L
H
CA
CYS
V
422
R
-
OE1
GLU
A
425
L
H
CB
CYS
V
422
R
-
OE1
GLU
A
425
L
H
SG
CYS
V
422
R
-
OE1
GLU
A
425
L
H
H
CYS
V
422
R
-
OE1
GLU
A
425
L
H
HB2
CYS
V
422
R
-
OE1
GLU
A
425
L
H
HG
CYS
V
422
R
-
OE2
GLU
A
425
L
H
O
GLY
V
418
R
-
OE2
GLU
A
425
L
H
HA
GLN
V
419
R
-
OE2
GLU
A
425
L
H
N
CYS
V
422
R
-
OE2
GLU
A
425
L
H
CA
CYS
V
422
R
-
OE2
GLU
A
425
L
H
CB
CYS
V
422
R
-
OE2
GLU
A
425
L
H
SG
CYS
V
422
R
-
OE2
GLU
A
425
L
H
H
CYS
V
422
R
-
OE2
GLU
A
425
L
H
HA
CYS
V
422
R
-
OE2
GLU
A
425
L
H
HB2
CYS
V
422
R
-
OE2
GLU
A
425
L
H
HB3
CYS
V
422
R
-
OE2
GLU
A
425
L
H
HG
CYS
V
422
R
-
CA
PRO
A
427
L
H
HH12
ARG
V
429
R
-
CB
PRO
A
427
L
H
HH12
ARG
V
429
R
-
CG
PRO
A
427
L
H
HH12
ARG
V
429
R
-
N
VAL
A
428
L
H
HH12
ARG
V
429
R
-
N
VAL
A
428
L
H
HH22
ARG
V
429
R
-
CB
VAL
A
428
L
H
OG1
THR
V
426
R
-
CB
VAL
A
428
L
H
HG21
THR
V
426
R
-
CG1
VAL
A
428
L
H
HG21
THR
V
426
R
-
CG2
VAL
A
428
L
H
HB3
CYS
V
422
R
-
CG2
VAL
A
428
L
H
OG1
THR
V
426
R
-
CG2
VAL
A
428
L
H
HG1
THR
V
426
R
-
CG2
VAL
A
428
L
H
HG21
THR
V
426
R
-
N
THR
A
429
L
H
HH22
ARG
V
429
R
-
OG1
THR
A
429
L
H
NH2
ARG
V
429
R
-
OG1
THR
A
429
L
H
HH21
ARG
V
429
R
-
OG1
THR
A
429
L
H
HH22
ARG
V
429
R
-
CB
ARG
A
502
L
H
CB
ASP
V
76
R
-
CB
ARG
A
502
L
H
CG
ASP
V
76
R
-
CB
ARG
A
502
L
H
OD2
ASP
V
76
R
-
CB
ARG
A
502
L
H
HB2
ASP
V
76
R
-
CB
ARG
A
502
L
H
HB3
ASP
V
76
R
-
O
ARG
A
502
L
H
HH22
ARG
V
57
R
-
CG
ARG
A
502
L
H
CB
ASP
V
76
R
-
CG
ARG
A
502
L
H
HB2
ASP
V
76
R
-
CG
ARG
A
502
L
H
HB3
ASP
V
76
R
-
CD
ARG
A
502
L
H
CB
ASP
V
76
R
-
CD
ARG
A
502
L
H
HB2
ASP
V
76
R
-
CD
ARG
A
502
L
H
HB3
ASP
V
76
R
-
NE
ARG
A
502
L
H
HB3
ASP
V
76
R
-
NE
ARG
A
502
L
H
HD2
LYS
V
80
R
-
NH1
ARG
A
502
L
H
CB
LYS
V
80
R
-
NH1
ARG
A
502
L
H
CG
LYS
V
80
R
-
NH1
ARG
A
502
L
H
CD
LYS
V
80
R
-
NH1
ARG
A
502
L
H
HB2
LYS
V
80
R
-
NH1
ARG
A
502
L
H
HB3
LYS
V
80
R
-
NH1
ARG
A
502
L
H
HG3
LYS
V
80
R
-
NH1
ARG
A
502
L
H
HD2
LYS
V
80
R
-
NH1
ARG
A
502
L
H
HD3
LYS
V
80
R
-
NH1
ARG
A
502
L
H
HE3
LYS
V
80
R
-
NH2
ARG
A
502
L
H
HD2
LYS
V
80
R
-
NH2
ARG
A
502
L
H
HE3
LYS
V
80
R
-
NH2
ARG
A
502
L
H
HZ2
LYS
V
80
R
-
CZ
ARG
A
502
L
H
CD
LYS
V
80
R
-
CZ
ARG
A
502
L
H
HB2
LYS
V
80
R
-
CZ
ARG
A
502
L
H
HD2
LYS
V
80
R
S
CG2
VAL
A
504
L
H
HH21
ARG
V
57
R
-
CA
PRO
A
520
L
-
OE1
GLN
V
61
R
-
CA
PRO
A
520
L
-
HG3
GLN
V
61
R
-
C
PRO
A
520
L
-
CD
GLN
V
61
R
-
C
PRO
A
520
L
-
OE1
GLN
V
61
R
-
C
PRO
A
520
L
-
HB3
GLN
V
61
R
-
C
PRO
A
520
L
-
HG3
GLN
V
61
R
-
CB
PRO
A
520
L
-
CG
GLN
V
61
R
-
CB
PRO
A
520
L
-
CD
GLN
V
61
R
-
CB
PRO
A
520
L
-
NE2
GLN
V
61
R
-
CB
PRO
A
520
L
-
OE1
GLN
V
61
R
-
CB
PRO
A
520
L
-
HG3
GLN
V
61
R
-
CB
PRO
A
520
L
-
HE21
GLN
V
61
R
-
CB
PRO
A
520
L
-
HE22
GLN
V
61
R
-
O
PRO
A
520
L
-
CB
GLN
V
61
R
-
O
PRO
A
520
L
-
CG
GLN
V
61
R
-
O
PRO
A
520
L
-
CD
GLN
V
61
R
-
O
PRO
A
520
L
-
OE1
GLN
V
61
R
-
O
PRO
A
520
L
-
HB2
GLN
V
61
R
-
O
PRO
A
520
L
-
HB3
GLN
V
61
R
-
O
PRO
A
520
L
-
HG3
GLN
V
61
R
-
CG
PRO
A
520
L
-
OE1
GLN
V
61
R
-
N
ALA
A
521
L
-
OE1
GLN
V
61
R
S
CD1
TYR
A
535
L
H
HB3
SER
V
54
R
S
CE1
TYR
A
535
L
H
CB
SER
V
54
R
S
CE1
TYR
A
535
L
H
OG
SER
V
54
R
S
CE1
TYR
A
535
L
H
HA
SER
V
54
R
S
CE1
TYR
A
535
L
H
HB2
SER
V
54
R
S
CE1
TYR
A
535
L
H
HB3
SER
V
54
R
S
CE2
TYR
A
535
L
H
HB3
SER
V
54
R
S
OH
TYR
A
535
L
H
O
GLN
V
50
R
S
OH
TYR
A
535
L
H
HA
GLN
V
50
R
S
OH
TYR
A
535
L
H
C
ALA
V
53
R
S
OH
TYR
A
535
L
H
HB2
ALA
V
53
R
S
OH
TYR
A
535
L
H
N
SER
V
54
R
S
OH
TYR
A
535
L
H
CA
SER
V
54
R
S
OH
TYR
A
535
L
H
CB
SER
V
54
R
S
OH
TYR
A
535
L
H
OG
SER
V
54
R
S
OH
TYR
A
535
L
H
H
SER
V
54
R
S
OH
TYR
A
535
L
H
HA
SER
V
54
R
S
OH
TYR
A
535
L
H
HB2
SER
V
54
R
S
OH
TYR
A
535
L
H
HB3
SER
V
54
R
S
CZ
TYR
A
535
L
H
CB
SER
V
54
R
S
CZ
TYR
A
535
L
H
HB2
SER
V
54
R
S
CZ
TYR
A
535
L
H
HB3
SER
V
54
R
-
O
PRO
A
536
L
H
HB2
SER
V
54
R
-
N
PRO
A
538
L
H
HB2
SER
V
54
R
-
CA
PRO
A
538
L
H
HB2
SER
V
54
R
-
CA
PRO
A
538
L
H
CG
ASP
V
55
R
-
CA
PRO
A
538
L
H
OD1
ASP
V
55
R
-
CA
PRO
A
538
L
H
OD2
ASP
V
55
R
-
CA
PRO
A
538
L
H
HA
ASP
V
55
R
-
C
PRO
A
538
L
H
CG
ASP
V
55
R
-
C
PRO
A
538
L
H
OD1
ASP
V
55
R
-
CB
PRO
A
538
L
H
HB2
SER
V
54
R
-
CB
PRO
A
538
L
H
OD1
ASP
V
55
R
-
CB
PRO
A
538
L
H
HA
ASP
V
55
R
-
CB
PRO
A
538
L
H
OG
SER
V
58
R
-
CB
PRO
A
538
L
H
HG
SER
V
58
R
-
O
PRO
A
538
L
H
OD1
ASP
V
55
R
-
N
ARG
A
539
L
H
CG
ASP
V
55
R
-
N
ARG
A
539
L
H
OD1
ASP
V
55
R
-
N
ARG
A
539
L
H
OD2
ASP
V
55
R
-
CA
ARG
A
539
L
H
OD1
ASP
V
55
R
-
CA
ARG
A
539
L
H
HH21
ARG
V
59
R
-
C
ARG
A
539
L
H
OD1
ASP
V
55
R
-
C
ARG
A
539
L
H
NH2
ARG
V
59
R
-
C
ARG
A
539
L
H
HH21
ARG
V
59
R
-
C
ARG
A
539
L
H
HH22
ARG
V
59
R
-
CB
ARG
A
539
L
H
OD1
ASP
V
55
R
-
O
ARG
A
539
L
H
OD1
ASP
V
55
R
-
O
ARG
A
539
L
H
NH2
ARG
V
59
R
-
O
ARG
A
539
L
H
CZ
ARG
V
59
R
-
O
ARG
A
539
L
H
HE
ARG
V
59
R
-
O
ARG
A
539
L
H
HH21
ARG
V
59
R
-
O
ARG
A
539
L
H
HH22
ARG
V
59
R
-
CG
ARG
A
539
L
H
OD1
ASP
V
55
R
-
CD
ARG
A
539
L
H
HD22
LEU
V
51
R
-
NE
ARG
A
539
L
H
HE1
HIS
V
47
R
-
NE
ARG
A
539
L
H
CD2
LEU
V
51
R
-
NE
ARG
A
539
L
H
HD21
LEU
V
51
R
-
NE
ARG
A
539
L
H
HD22
LEU
V
51
R
-
NE
ARG
A
539
L
H
HD23
LEU
V
51
R
-
NH1
ARG
A
539
L
H
CE1
HIS
V
47
R
-
NH1
ARG
A
539
L
H
HE1
HIS
V
47
R
-
NH2
ARG
A
539
L
H
ND1
HIS
V
47
R
-
NH2
ARG
A
539
L
H
CE1
HIS
V
47
R
-
NH2
ARG
A
539
L
H
NE2
HIS
V
47
R
-
NH2
ARG
A
539
L
H
HE1
HIS
V
47
R
-
NH2
ARG
A
539
L
H
HE2
HIS
V
47
R
-
NH2
ARG
A
539
L
H
CG
LEU
V
51
R
-
NH2
ARG
A
539
L
H
CD2
LEU
V
51
R
-
NH2
ARG
A
539
L
H
HG
LEU
V
51
R
-
NH2
ARG
A
539
L
H
HD12
LEU
V
51
R
-
NH2
ARG
A
539
L
H
HD21
LEU
V
51
R
-
NH2
ARG
A
539
L
H
HD22
LEU
V
51
R
-
CZ
ARG
A
539
L
H
CE1
HIS
V
47
R
-
CZ
ARG
A
539
L
H
HE1
HIS
V
47
R
-
CZ
ARG
A
539
L
H
CD2
LEU
V
51
R
-
CZ
ARG
A
539
L
H
HD21
LEU
V
51
R
-
CZ
ARG
A
539
L
H
HD22
LEU
V
51
R
-
N
LEU
A
540
L
H
NH2
ARG
V
59
R
-
N
LEU
A
540
L
H
HH21
ARG
V
59
R
-
N
LEU
A
540
L
H
HH22
ARG
V
59
R
-
CA
LEU
A
540
L
H
NH2
ARG
V
59
R
-
CA
LEU
A
540
L
H
HH21
ARG
V
59
R
-
CA
LEU
A
540
L
H
HH22
ARG
V
59
R
-
C
LEU
A
540
L
H
NH2
ARG
V
59
R
-
C
LEU
A
540
L
H
HH21
ARG
V
59
R
-
C
LEU
A
540
L
H
HH22
ARG
V
59
R
-
CB
LEU
A
540
L
H
HH22
ARG
V
59
R
-
CD2
LEU
A
540
L
H
HH22
ARG
V
59
R
-
N
HIS
A
541
L
H
NH2
ARG
V
59
R
-
N
HIS
A
541
L
H
HH21
ARG
V
59
R
-
N
HIS
A
541
L
H
HH22
ARG
V
59
R
-
CA
HIS
A
541
L
H
HH22
ARG
V
59
R
-
CB
HIS
A
541
L
H
HH22
ARG
V
59
R
-
CD2
HIS
A
541
L
H
O
ALA
V
151
R
-
CD2
HIS
A
541
L
H
HA
VAL
V
152
R
-
CD2
HIS
A
541
L
H
HG22
VAL
V
152
R
-
ND1
HIS
A
541
L
H
O
ALA
V
151
R
-
CE1
HIS
A
541
L
H
O
ALA
V
151
R
-
NE2
HIS
A
541
L
H
C
ALA
V
151
R
-
NE2
HIS
A
541
L
H
O
ALA
V
151
R
-
NE2
HIS
A
541
L
H
HA
VAL
V
152
R
-
CB
PRO
A
554
L
H
H
SER
V
158
R
-
N
PRO
A
555
L
H
HA3
GLY
V
157
R
-
CB
PRO
A
555
L
H
O
GLN
V
155
R
-
CB
PRO
A
555
L
H
HA
GLN
V
155
R
-
O
PRO
A
555
L
H
HA3
GLY
V
157
R
-
CG
PRO
A
555
L
H
O
PRO
V
154
R
-
CG
PRO
A
555
L
H
CA
GLN
V
155
R
-
CG
PRO
A
555
L
H
C
GLN
V
155
R
-
CG
PRO
A
555
L
H
O
GLN
V
155
R
-
CG
PRO
A
555
L
H
HA
GLN
V
155
R
-
CG
PRO
A
555
L
H
N
GLY
V
157
R
-
CG
PRO
A
555
L
H
CA
GLY
V
157
R
-
CG
PRO
A
555
L
H
H
GLY
V
157
R
-
CG
PRO
A
555
L
H
HA3
GLY
V
157
R
-
CD
PRO
A
555
L
H
HA
GLN
V
155
R
-
CD
PRO
A
555
L
H
CA
GLY
V
157
R
-
CD
PRO
A
555
L
H
HA2
GLY
V
157
R
-
CD
PRO
A
555
L
H
HA3
GLY
V
157
R
-
CA
PRO
A
557
L
H
OG
SER
V
159
R
-
CA
PRO
A
557
L
H
HG
SER
V
159
R
-
C
PRO
A
557
L
H
HD2
PHE
V
163
R
-
CB
PRO
A
557
L
H
OG
SER
V
159
R
-
CB
PRO
A
557
L
H
HG
SER
V
159
R
-
N
PRO
A
558
L
H
CD2
PHE
V
163
R
-
N
PRO
A
558
L
H
CE2
PHE
V
163
R
-
N
PRO
A
558
L
H
HD2
PHE
V
163
R
-
N
PRO
A
558
L
H
HE2
PHE
V
163
R
-
CA
PRO
A
558
L
H
CD2
PHE
V
163
R
-
CA
PRO
A
558
L
H
CE2
PHE
V
163
R
-
CA
PRO
A
558
L
H
HD2
PHE
V
163
R
-
CA
PRO
A
558
L
H
HE2
PHE
V
163
R
-
CA
PRO
A
558
L
H
HE22
GLN
V
170
R
-
C
PRO
A
558
L
H
HE22
GLN
V
170
R
-
CB
PRO
A
558
L
H
CD2
PHE
V
163
R
-
CB
PRO
A
558
L
H
CE2
PHE
V
163
R
-
CB
PRO
A
558
L
H
HD2
PHE
V
163
R
-
CB
PRO
A
558
L
H
HE2
PHE
V
163
R
-
CB
PRO
A
558
L
-
HG12
VAL
V
166
R
-
CB
PRO
A
558
L
H
NE2
GLN
V
170
R
-
CB
PRO
A
558
L
H
HE22
GLN
V
170
R
-
O
PRO
A
558
L
H
NE2
GLN
V
170
R
-
O
PRO
A
558
L
H
HE22
GLN
V
170
R
-
CG
PRO
A
558
L
H
CA
PHE
V
163
R
-
CG
PRO
A
558
L
H
CB
PHE
V
163
R
-
CG
PRO
A
558
L
H
CG
PHE
V
163
R
-
CG
PRO
A
558
L
H
CD2
PHE
V
163
R
-
CG
PRO
A
558
L
H
CE2
PHE
V
163
R
-
CG
PRO
A
558
L
H
HA
PHE
V
163
R
-
CG
PRO
A
558
L
H
HB3
PHE
V
163
R
-
CG
PRO
A
558
L
H
HD2
PHE
V
163
R
-
CG
PRO
A
558
L
H
HE2
PHE
V
163
R
-
CG
PRO
A
558
L
-
CG1
VAL
V
166
R
-
CG
PRO
A
558
L
-
HG11
VAL
V
166
R
-
CG
PRO
A
558
L
-
HG12
VAL
V
166
R
-
CG
PRO
A
558
L
H
HE22
GLN
V
170
R
-
CD
PRO
A
558
L
H
HG
SER
V
159
R
-
CD
PRO
A
558
L
H
CB
PHE
V
163
R
-
CD
PRO
A
558
L
H
CG
PHE
V
163
R
-
CD
PRO
A
558
L
H
CD2
PHE
V
163
R
-
CD
PRO
A
558
L
H
CE2
PHE
V
163
R
-
CD
PRO
A
558
L
H
HA
PHE
V
163
R
-
CD
PRO
A
558
L
H
HB3
PHE
V
163
R
-
CD
PRO
A
558
L
H
HD2
PHE
V
163
R
-
CD
PRO
A
558
L
H
HE2
PHE
V
163
R
-
N
ALA
A
559
L
H
HE22
GLN
V
170
R
-
CA
ALA
A
559
L
H
HE22
GLN
V
170
R
-
C
ALA
A
559
L
H
NE2
GLN
V
170
R
-
C
ALA
A
559
L
H
HE21
GLN
V
170
R
-
C
ALA
A
559
L
H
HE22
GLN
V
170
R
-
O
ALA
A
559
L
H
CD
GLN
V
170
R
-
O
ALA
A
559
L
H
NE2
GLN
V
170
R
-
O
ALA
A
559
L
H
OE1
GLN
V
170
R
-
O
ALA
A
559
L
H
HG3
GLN
V
170
R
-
O
ALA
A
559
L
H
HE21
GLN
V
170
R
-
O
ALA
A
559
L
H
HE22
GLN
V
170
R
-
O
ALA
A
559
L
H
HH21
ARG
V
174
R
-
N
PRO
A
560
L
H
NE2
GLN
V
170
R
-
N
PRO
A
560
L
H
HE21
GLN
V
170
R
-
N
PRO
A
560
L
H
HE22
GLN
V
170
R
-
CA
PRO
A
560
L
H
NE2
GLN
V
170
R
-
CA
PRO
A
560
L
H
HE21
GLN
V
170
R
-
CA
PRO
A
560
L
H
HE22
GLN
V
170
R
-
C
PRO
A
560
L
H
NE2
GLN
V
170
R
-
C
PRO
A
560
L
H
HG3
GLN
V
170
R
-
C
PRO
A
560
L
H
HE21
GLN
V
170
R
-
N
ALA
A
561
L
H
CG
GLN
V
170
R
-
N
ALA
A
561
L
H
CD
GLN
V
170
R
-
N
ALA
A
561
L
H
NE2
GLN
V
170
R
-
N
ALA
A
561
L
H
HG2
GLN
V
170
R
-
N
ALA
A
561
L
H
HG3
GLN
V
170
R
-
N
ALA
A
561
L
H
HE21
GLN
V
170
R
-
CA
ALA
A
561
L
H
CG
GLN
V
170
R
-
CA
ALA
A
561
L
H
HA
GLN
V
170
R
-
CA
ALA
A
561
L
H
HB2
GLN
V
170
R
-
CA
ALA
A
561
L
H
HG2
GLN
V
170
R
-
CA
ALA
A
561
L
H
HG3
GLN
V
170
R
-
CA
ALA
A
561
L
H
HE21
GLN
V
170
R
-
C
ALA
A
561
L
H
HG3
GLN
V
170
R
-
CB
ALA
A
561
L
H
O
LEU
V
169
R
-
CB
ALA
A
561
L
H
CD2
LEU
V
169
R
-
CB
ALA
A
561
L
H
HD21
LEU
V
169
R
-
CB
ALA
A
561
L
H
HD23
LEU
V
169
R
-
CB
ALA
A
561
L
H
N
GLN
V
170
R
-
CB
ALA
A
561
L
H
CA
GLN
V
170
R
-
CB
ALA
A
561
L
H
CB
GLN
V
170
R
-
CB
ALA
A
561
L
H
CG
GLN
V
170
R
-
CB
ALA
A
561
L
H
HA
GLN
V
170
R
-
CB
ALA
A
561
L
H
HB2
GLN
V
170
R
-
CB
ALA
A
561
L
H
HG2
GLN
V
170
R
-
CB
ALA
A
561
L
H
HG3
GLN
V
170
R
-
CB
ALA
A
561
L
H
OG1
THR
V
173
R
-
CB
ALA
A
561
L
H
HG1
THR
V
173
R
-
N
PRO
A
562
L
H
OG1
THR
V
173
R
-
C
PRO
A
562
L
H
HB
THR
V
173
R
-
CB
PRO
A
562
L
H
CD1
LEU
V
177
R
-
CB
PRO
A
562
L
H
HD11
LEU
V
177
R
-
CB
PRO
A
562
L
H
HD12
LEU
V
177
R
-
CB
PRO
A
562
L
H
HD13
LEU
V
177
R
-
O
PRO
A
562
L
H
CB
THR
V
173
R
-
O
PRO
A
562
L
H
HB
THR
V
173
R
-
O
PRO
A
562
L
H
HG21
THR
V
173
R
-
CG
PRO
A
562
L
H
C
THR
V
173
R
-
CG
PRO
A
562
L
H
CB
THR
V
173
R
-
CG
PRO
A
562
L
H
O
THR
V
173
R
-
CG
PRO
A
562
L
H
OG1
THR
V
173
R
-
CG
PRO
A
562
L
H
HB
THR
V
173
R
-
CG
PRO
A
562
L
H
CG
ARG
V
174
R
-
CG
PRO
A
562
L
H
HA
ARG
V
174
R
-
CG
PRO
A
562
L
H
HG2
ARG
V
174
R
-
CG
PRO
A
562
L
H
HG3
ARG
V
174
R
-
CG
PRO
A
562
L
H
CD1
LEU
V
177
R
-
CG
PRO
A
562
L
H
HD11
LEU
V
177
R
-
CG
PRO
A
562
L
H
HD12
LEU
V
177
R
-
CD
PRO
A
562
L
H
HA
GLN
V
170
R
-
CD
PRO
A
562
L
H
OG1
THR
V
173
R
-
CD
PRO
A
562
L
H
HB
THR
V
173
R
-
CD
PRO
A
562
L
H
CG
ARG
V
174
R
-
CD
PRO
A
562
L
H
HG2
ARG
V
174
R
-
CD
PRO
A
562
L
H
HG3
ARG
V
174
R
-
CD
PRO
A
562
L
H
HE
ARG
V
174
R
-
CG
PRO
A
565
L
H
HG3
GLN
V
204
R
-
CG
PRO
A
565
L
H
HE21
GLN
V
204
R
-
CD
PRO
A
565
L
H
HG3
GLN
V
204
R
-
NH1
ARG
A
575
L
H
OE2
GLU
V
268
R
-
NH1
ARG
A
575
L
H
HB2
GLU
V
268
R
-
NH2
ARG
A
575
L
H
OE2
GLU
V
268
R
-
NH2
ARG
A
575
L
H
HB2
GLU
V
268
R
-
NH2
ARG
A
575
L
H
HB3
GLU
V
268
R
-
CZ
ARG
A
575
L
H
HB2
GLU
V
268