A1IGU5_Q9BPW5.3
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
LEU
A
231
L
-
ASP
V
155
R
H
LEU
A
231
L
-
LEU
V
156
R
H
LEU
A
231
L
H
LEU
V
157
R
H
LEU
A
231
L
H
HIS
V
158
R
H
ARG
A
232
L
H
HIS
V
158
R
H
ARG
A
232
L
-
LYS
V
160
R
H
LEU
A
235
L
H
HIS
V
158
R
H
ALA
A
299
L
S
GLN
V
75
R
H
TYR
A
302
L
S
GLN
V
75
R
H
TYR
A
302
L
S
ILE
V
76
R
H
TYR
A
302
L
-
GLU
V
77
R
H
TYR
A
302
L
-
GLY
V
78
R
H
TYR
A
302
L
S
GLU
V
79
R
-
TYR
A
308
L
S
GLU
V
79
R
-
LEU
A
310
L
-
CYS
V
25
R
H
TYR
A
320
L
-
SER
V
22
R
H
TYR
A
320
L
-
ASP
V
23
R
H
TYR
A
320
L
-
CYS
V
24
R
-
PRO
A
492
L
-
LYS
V
213
R
-
GLY
A
493
L
-
LYS
V
213
R
H
SER
A
494
L
-
LYS
V
213
R
-
PRO
A
593
L
H
GLU
V
102
R
-
SER
A
594
L
H
GLU
V
102
R
-
PRO
A
595
L
H
GLU
V
102
R
-
PRO
A
595
L
H
GLN
V
103
R
-
PRO
A
595
L
H
ARG
V
106
R
-
ALA
A
596
L
-
CYS
V
100
R
-
ALA
A
596
L
-
SER
V
101
R
-
ALA
A
596
L
H
GLU
V
102
R
-
LEU
A
597
L
-
SER
V
99
R
-
VAL
A
598
L
-
GLN
V
92
R
-
VAL
A
598
L
-
HIS
V
94
R
-
VAL
A
598
L
-
SER
V
99
R
-
PRO
A
599
L
-
GLN
V
92
R
-
PRO
A
599
L
-
HIS
V
94
R
-
SER
A
600
L
-
GLN
V
92
R
-
SER
A
600
L
-
HIS
V
94
R
-
ILE
A
601
L
-
HIS
V
94
R
S
ARG
A
662
L
H
ILE
V
159
R
-
PRO
A
666
L
H
LYS
V
124
R
-
VAL
A
667
L
H
TYR
V
123
R
-
VAL
A
667
L
H
LYS
V
124
R
-
VAL
A
667
L
-
GLN
V
161
R
-
LEU
A
668
L
H
TYR
V
123
R
-
LEU
A
668
L
H
LYS
V
124
R
-
LEU
A
668
L
H
GLU
V
127
R
-
TRP
A
669
L
H
TYR
V
123
R
-
TRP
A
669
L
H
GLU
V
127
R
-
TRP
A
669
L
-
ASN
V
96
R
-
GLY
A
670
L
H
TYR
V
123
R
-
GLY
A
670
L
H
GLU
V
127
R
-
GLY
A
670
L
H
GLN
V
131
R
-
GLY
A
670
L
-
ASN
V
96
R
-
TRP
A
671
L
H
TYR
V
123
R
-
TRP
A
671
L
H
TYR
V
126
R
-
TRP
A
671
L
H
GLU
V
127
R
-
TRP
A
671
L
H
SER
V
130
R
-
TRP
A
671
L
H
LEU
V
170
R
-
SER
A
672
L
H
SER
V
130
R
-
SER
A
672
L
H
GLN
V
131
R
-
LEU
A
673
L
H
SER
V
130
R
-
LEU
A
673
L
H
GLN
V
134
R
-
LEU
A
673
L
H
MET
V
173
R
-
PRO
A
674
L
H
SER
V
130
R
-
PRO
A
674
L
H
GLN
V
134
R
-
PRO
A
674
L
-
LEU
V
174
R
-
SER
A
675
L
H
GLN
V
134
A1IGU5_Q9BPW5.3
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
H
C
LEU
A
231
L
H
HB3
HIS
V
158
R
H
CB
LEU
A
231
L
H
HB2
LEU
V
157
R
H
CB
LEU
A
231
L
H
H
HIS
V
158
R
H
CB
LEU
A
231
L
H
HB3
HIS
V
158
R
H
O
LEU
A
231
L
H
HB3
HIS
V
158
R
H
CD1
LEU
A
231
L
-
O
ASP
V
155
R
H
CD1
LEU
A
231
L
-
HA
LEU
V
156
R
H
CD1
LEU
A
231
L
H
H
LEU
V
157
R
H
CD1
LEU
A
231
L
H
ND1
HIS
V
158
R
H
CD1
LEU
A
231
L
H
H
HIS
V
158
R
H
CD1
LEU
A
231
L
H
HE1
HIS
V
158
R
H
CG
ARG
A
232
L
H
HA
HIS
V
158
R
H
NH2
ARG
A
232
L
-
HE3
LYS
V
160
R
H
CG
LEU
A
235
L
H
HB2
HIS
V
158
R
H
CD1
LEU
A
235
L
H
CB
HIS
V
158
R
H
CD1
LEU
A
235
L
H
CG
HIS
V
158
R
H
CD1
LEU
A
235
L
H
HA
HIS
V
158
R
H
CD1
LEU
A
235
L
H
HB2
HIS
V
158
R
H
CD1
LEU
A
235
L
H
HB3
HIS
V
158
R
H
O
ALA
A
299
L
S
OE1
GLN
V
75
R
H
C
TYR
A
302
L
-
HA2
GLY
V
78
R
H
O
TYR
A
302
L
-
CA
GLY
V
78
R
H
O
TYR
A
302
L
-
HA2
GLY
V
78
R
H
O
TYR
A
302
L
-
HA3
GLY
V
78
R
H
CG
TYR
A
302
L
-
N
GLY
V
78
R
H
CG
TYR
A
302
L
-
CA
GLY
V
78
R
H
CG
TYR
A
302
L
-
H
GLY
V
78
R
H
CG
TYR
A
302
L
-
HA2
GLY
V
78
R
H
CD1
TYR
A
302
L
S
HB3
GLN
V
75
R
H
CD1
TYR
A
302
L
-
C
GLU
V
77
R
H
CD1
TYR
A
302
L
-
N
GLY
V
78
R
H
CD1
TYR
A
302
L
-
CA
GLY
V
78
R
H
CD1
TYR
A
302
L
-
H
GLY
V
78
R
H
CD1
TYR
A
302
L
-
HA2
GLY
V
78
R
H
CD1
TYR
A
302
L
-
HA3
GLY
V
78
R
H
CD2
TYR
A
302
L
-
HA
GLU
V
77
R
H
CD2
TYR
A
302
L
-
N
GLY
V
78
R
H
CD2
TYR
A
302
L
-
H
GLY
V
78
R
H
CE1
TYR
A
302
L
S
HB3
GLN
V
75
R
H
CE1
TYR
A
302
L
S
C
ILE
V
76
R
H
CE1
TYR
A
302
L
S
O
ILE
V
76
R
H
CE1
TYR
A
302
L
-
N
GLU
V
77
R
H
CE1
TYR
A
302
L
-
CA
GLU
V
77
R
H
CE1
TYR
A
302
L
-
C
GLU
V
77
R
H
CE1
TYR
A
302
L
-
O
GLU
V
77
R
H
CE1
TYR
A
302
L
-
H
GLU
V
77
R
H
CE1
TYR
A
302
L
-
HA
GLU
V
77
R
H
CE1
TYR
A
302
L
-
N
GLY
V
78
R
H
CE1
TYR
A
302
L
-
CA
GLY
V
78
R
H
CE1
TYR
A
302
L
-
C
GLY
V
78
R
H
CE1
TYR
A
302
L
-
H
GLY
V
78
R
H
CE1
TYR
A
302
L
-
HA2
GLY
V
78
R
H
CE1
TYR
A
302
L
-
HA3
GLY
V
78
R
H
CE1
TYR
A
302
L
S
N
GLU
V
79
R
H
CE1
TYR
A
302
L
S
H
GLU
V
79
R
H
CE2
TYR
A
302
L
-
N
GLU
V
77
R
H
CE2
TYR
A
302
L
-
CA
GLU
V
77
R
H
CE2
TYR
A
302
L
-
C
GLU
V
77
R
H
CE2
TYR
A
302
L
-
H
GLU
V
77
R
H
CE2
TYR
A
302
L
-
HA
GLU
V
77
R
H
CE2
TYR
A
302
L
-
N
GLY
V
78
R
H
CE2
TYR
A
302
L
-
H
GLY
V
78
R
H
CE2
TYR
A
302
L
-
HA2
GLY
V
78
R
H
OH
TYR
A
302
L
S
CA
ILE
V
76
R
H
OH
TYR
A
302
L
S
C
ILE
V
76
R
H
OH
TYR
A
302
L
S
O
ILE
V
76
R
H
OH
TYR
A
302
L
S
HA
ILE
V
76
R
H
OH
TYR
A
302
L
-
N
GLU
V
77
R
H
OH
TYR
A
302
L
-
CA
GLU
V
77
R
H
OH
TYR
A
302
L
-
C
GLU
V
77
R
H
OH
TYR
A
302
L
-
CB
GLU
V
77
R
H
OH
TYR
A
302
L
-
O
GLU
V
77
R
H
OH
TYR
A
302
L
-
CG
GLU
V
77
R
H
OH
TYR
A
302
L
-
H
GLU
V
77
R
H
OH
TYR
A
302
L
-
HA
GLU
V
77
R
H
OH
TYR
A
302
L
-
HB2
GLU
V
77
R
H
OH
TYR
A
302
L
-
HB3
GLU
V
77
R
H
OH
TYR
A
302
L
-
HG2
GLU
V
77
R
H
OH
TYR
A
302
L
-
HG3
GLU
V
77
R
H
OH
TYR
A
302
L
-
N
GLY
V
78
R
H
OH
TYR
A
302
L
-
CA
GLY
V
78
R
H
OH
TYR
A
302
L
-
H
GLY
V
78
R
H
OH
TYR
A
302
L
-
HA2
GLY
V
78
R
H
OH
TYR
A
302
L
-
HA3
GLY
V
78
R
H
OH
TYR
A
302
L
S
H
GLU
V
79
R
H
CZ
TYR
A
302
L
S
C
ILE
V
76
R
H
CZ
TYR
A
302
L
S
O
ILE
V
76
R
H
CZ
TYR
A
302
L
-
N
GLU
V
77
R
H
CZ
TYR
A
302
L
-
CA
GLU
V
77
R
H
CZ
TYR
A
302
L
-
C
GLU
V
77
R
H
CZ
TYR
A
302
L
-
CB
GLU
V
77
R
H
CZ
TYR
A
302
L
-
O
GLU
V
77
R
H
CZ
TYR
A
302
L
-
H
GLU
V
77
R
H
CZ
TYR
A
302
L
-
HA
GLU
V
77
R
H
CZ
TYR
A
302
L
-
N
GLY
V
78
R
H
CZ
TYR
A
302
L
-
CA
GLY
V
78
R
H
CZ
TYR
A
302
L
-
H
GLY
V
78
R
H
CZ
TYR
A
302
L
-
HA2
GLY
V
78
R
H
CZ
TYR
A
302
L
-
HA3
GLY
V
78
R
H
CZ
TYR
A
302
L
S
H
GLU
V
79
R
-
OH
TYR
A
308
L
S
HG2
GLU
V
79
R
-
CD2
LEU
A
310
L
-
O
CYS
V
25
R
H
CD1
TYR
A
320
L
-
HG
CYS
V
24
R
H
CE1
TYR
A
320
L
-
HB2
SER
V
22
R
H
CE1
TYR
A
320
L
-
O
ASP
V
23
R
H
CE1
TYR
A
320
L
-
HG
CYS
V
24
R
H
CE2
TYR
A
320
L
-
HB2
SER
V
22
R
H
CE2
TYR
A
320
L
-
HB3
SER
V
22
R
H
OH
TYR
A
320
L
-
CB
SER
V
22
R
H
OH
TYR
A
320
L
-
OG
SER
V
22
R
H
OH
TYR
A
320
L
-
HB2
SER
V
22
R
H
OH
TYR
A
320
L
-
HB3
SER
V
22
R
H
OH
TYR
A
320
L
-
O
ASP
V
23
R
H
CZ
TYR
A
320
L
-
CB
SER
V
22
R
H
CZ
TYR
A
320
L
-
HB2
SER
V
22
R
-
C
PRO
A
492
L
-
HZ1
LYS
V
213
R
-
O
PRO
A
492
L
-
NZ
LYS
V
213
R
-
O
PRO
A
492
L
-
HZ1
LYS
V
213
R
-
O
PRO
A
492
L
-
HZ3
LYS
V
213
R
-
N
GLY
A
493
L
-
HZ1
LYS
V
213
R
-
CA
GLY
A
493
L
-
NZ
LYS
V
213
R
-
CA
GLY
A
493
L
-
HZ1
LYS
V
213
R
-
CA
GLY
A
493
L
-
HZ2
LYS
V
213
R
-
CA
GLY
A
493
L
-
HZ3
LYS
V
213
R
-
C
GLY
A
493
L
-
NZ
LYS
V
213
R
-
C
GLY
A
493
L
-
HZ1
LYS
V
213
R
-
C
GLY
A
493
L
-
HZ2
LYS
V
213
R
-
C
GLY
A
493
L
-
HZ3
LYS
V
213
R
-
O
GLY
A
493
L
-
NZ
LYS
V
213
R
-
O
GLY
A
493
L
-
HZ1
LYS
V
213
R
-
O
GLY
A
493
L
-
HZ2
LYS
V
213
R
-
O
GLY
A
493
L
-
HZ3
LYS
V
213
R
H
N
SER
A
494
L
-
HZ1
LYS
V
213
R
-
CA
PRO
A
593
L
H
OE1
GLU
V
102
R
-
CA
PRO
A
593
L
H
HG2
GLU
V
102
R
-
C
PRO
A
593
L
H
CG
GLU
V
102
R
-
C
PRO
A
593
L
H
CD
GLU
V
102
R
-
C
PRO
A
593
L
H
HG2
GLU
V
102
R
-
CB
PRO
A
593
L
H
CG
GLU
V
102
R
-
CB
PRO
A
593
L
H
CD
GLU
V
102
R
-
CB
PRO
A
593
L
H
OE1
GLU
V
102
R
-
CB
PRO
A
593
L
H
OE2
GLU
V
102
R
-
CB
PRO
A
593
L
H
HG2
GLU
V
102
R
-
O
PRO
A
593
L
H
CG
GLU
V
102
R
-
O
PRO
A
593
L
H
CD
GLU
V
102
R
-
O
PRO
A
593
L
H
OE1
GLU
V
102
R
-
O
PRO
A
593
L
H
HG2
GLU
V
102
R
-
O
PRO
A
593
L
H
HG3
GLU
V
102
R
-
CG
PRO
A
593
L
H
CD
GLU
V
102
R
-
CG
PRO
A
593
L
H
OE1
GLU
V
102
R
-
N
SER
A
594
L
H
HG2
GLU
V
102
R
-
CA
SER
A
594
L
H
HG2
GLU
V
102
R
-
C
SER
A
594
L
H
CB
GLU
V
102
R
-
C
SER
A
594
L
H
CG
GLU
V
102
R
-
C
SER
A
594
L
H
HB2
GLU
V
102
R
-
C
SER
A
594
L
H
HB3
GLU
V
102
R
-
C
SER
A
594
L
H
HG2
GLU
V
102
R
-
O
SER
A
594
L
H
CB
GLU
V
102
R
-
O
SER
A
594
L
H
CG
GLU
V
102
R
-
O
SER
A
594
L
H
HB2
GLU
V
102
R
-
O
SER
A
594
L
H
HB3
GLU
V
102
R
-
O
SER
A
594
L
H
HG2
GLU
V
102
R
-
N
PRO
A
595
L
H
CB
GLU
V
102
R
-
N
PRO
A
595
L
H
CG
GLU
V
102
R
-
N
PRO
A
595
L
H
H
GLU
V
102
R
-
N
PRO
A
595
L
H
HB2
GLU
V
102
R
-
N
PRO
A
595
L
H
HB3
GLU
V
102
R
-
N
PRO
A
595
L
H
HG2
GLU
V
102
R
-
CA
PRO
A
595
L
H
N
GLU
V
102
R
-
CA
PRO
A
595
L
H
CA
GLU
V
102
R
-
CA
PRO
A
595
L
H
CB
GLU
V
102
R
-
CA
PRO
A
595
L
H
CG
GLU
V
102
R
-
CA
PRO
A
595
L
H
H
GLU
V
102
R
-
CA
PRO
A
595
L
H
HB2
GLU
V
102
R
-
CA
PRO
A
595
L
H
HB3
GLU
V
102
R
-
CA
PRO
A
595
L
H
HG2
GLU
V
102
R
-
C
PRO
A
595
L
H
H
GLU
V
102
R
-
C
PRO
A
595
L
H
HB2
GLU
V
102
R
-
C
PRO
A
595
L
H
HB3
GLU
V
102
R
-
CB
PRO
A
595
L
H
N
GLU
V
102
R
-
CB
PRO
A
595
L
H
CA
GLU
V
102
R
-
CB
PRO
A
595
L
H
CB
GLU
V
102
R
-
CB
PRO
A
595
L
H
H
GLU
V
102
R
-
CB
PRO
A
595
L
H
HB2
GLU
V
102
R
-
CB
PRO
A
595
L
H
HB3
GLU
V
102
R
-
CB
PRO
A
595
L
H
H
GLN
V
103
R
-
CG
PRO
A
595
L
H
CB
GLU
V
102
R
-
CG
PRO
A
595
L
H
HB2
GLU
V
102
R
-
CG
PRO
A
595
L
H
HB3
GLU
V
102
R
-
CG
PRO
A
595
L
H
HG2
GLU
V
102
R
-
CG
PRO
A
595
L
H
HH12
ARG
V
106
R
-
CG
PRO
A
595
L
H
HH22
ARG
V
106
R
-
CD
PRO
A
595
L
H
CB
GLU
V
102
R
-
CD
PRO
A
595
L
H
HB2
GLU
V
102
R
-
CD
PRO
A
595
L
H
HB3
GLU
V
102
R
-
CD
PRO
A
595
L
H
HG2
GLU
V
102
R
-
N
ALA
A
596
L
-
HA
SER
V
101
R
-
N
ALA
A
596
L
H
N
GLU
V
102
R
-
N
ALA
A
596
L
H
H
GLU
V
102
R
-
N
ALA
A
596
L
H
HB3
GLU
V
102
R
-
CA
ALA
A
596
L
-
HA
SER
V
101
R
-
C
ALA
A
596
L
-
HA
SER
V
101
R
-
CB
ALA
A
596
L
-
O
CYS
V
100
R
-
CB
ALA
A
596
L
-
HA
SER
V
101
R
-
O
ALA
A
596
L
-
CA
SER
V
101
R
-
O
ALA
A
596
L
-
CB
SER
V
101
R
-
O
ALA
A
596
L
-
HA
SER
V
101
R
-
O
ALA
A
596
L
-
HB2
SER
V
101
R
-
O
ALA
A
596
L
-
HB3
SER
V
101
R
-
C
LEU
A
597
L
-
HB2
SER
V
99
R
-
O
LEU
A
597
L
-
HB2
SER
V
99
R
-
N
VAL
A
598
L
-
HB2
SER
V
99
R
-
CA
VAL
A
598
L
-
CB
SER
V
99
R
-
CA
VAL
A
598
L
-
OG
SER
V
99
R
-
CA
VAL
A
598
L
-
HB2
SER
V
99
R
-
CA
VAL
A
598
L
-
HB3
SER
V
99
R
-
CA
VAL
A
598
L
-
HG
SER
V
99
R
-
C
VAL
A
598
L
-
HG
SER
V
99
R
-
CB
VAL
A
598
L
-
CB
SER
V
99
R
-
CB
VAL
A
598
L
-
OG
SER
V
99
R
-
CB
VAL
A
598
L
-
HB2
SER
V
99
R
-
CB
VAL
A
598
L
-
HB3
SER
V
99
R
-
CB
VAL
A
598
L
-
HG
SER
V
99
R
-
CG1
VAL
A
598
L
-
O
GLN
V
92
R
-
CG1
VAL
A
598
L
-
HB2
GLN
V
92
R
-
CG1
VAL
A
598
L
-
CD2
HIS
V
94
R
-
CG1
VAL
A
598
L
-
HD2
HIS
V
94
R
-
CG1
VAL
A
598
L
-
CB
SER
V
99
R
-
CG1
VAL
A
598
L
-
OG
SER
V
99
R
-
CG1
VAL
A
598
L
-
HB2
SER
V
99
R
-
CG1
VAL
A
598
L
-
HB3
SER
V
99
R
-
CG1
VAL
A
598
L
-
HG
SER
V
99
R
-
CG2
VAL
A
598
L
-
CA
SER
V
99
R
-
CG2
VAL
A
598
L
-
C
SER
V
99
R
-
CG2
VAL
A
598
L
-
CB
SER
V
99
R
-
CG2
VAL
A
598
L
-
O
SER
V
99
R
-
CG2
VAL
A
598
L
-
OG
SER
V
99
R
-
CG2
VAL
A
598
L
-
HA
SER
V
99
R
-
CG2
VAL
A
598
L
-
HB2
SER
V
99
R
-
CG2
VAL
A
598
L
-
HB3
SER
V
99
R
-
CG2
VAL
A
598
L
-
HG
SER
V
99
R
-
N
PRO
A
599
L
-
HD2
HIS
V
94
R
-
CA
PRO
A
599
L
-
NE2
HIS
V
94
R
-
CA
PRO
A
599
L
-
HE2
HIS
V
94
R
-
C
PRO
A
599
L
-
CG
HIS
V
94
R
-
C
PRO
A
599
L
-
CD2
HIS
V
94
R
-
C
PRO
A
599
L
-
ND1
HIS
V
94
R
-
C
PRO
A
599
L
-
CE1
HIS
V
94
R
-
C
PRO
A
599
L
-
NE2
HIS
V
94
R
-
C
PRO
A
599
L
-
HD2
HIS
V
94
R
-
C
PRO
A
599
L
-
HE1
HIS
V
94
R
-
C
PRO
A
599
L
-
HE2
HIS
V
94
R
-
O
PRO
A
599
L
-
HB3
GLN
V
92
R
-
O
PRO
A
599
L
-
CB
HIS
V
94
R
-
O
PRO
A
599
L
-
CG
HIS
V
94
R
-
O
PRO
A
599
L
-
CD2
HIS
V
94
R
-
O
PRO
A
599
L
-
ND1
HIS
V
94
R
-
O
PRO
A
599
L
-
CE1
HIS
V
94
R
-
O
PRO
A
599
L
-
NE2
HIS
V
94
R
-
O
PRO
A
599
L
-
HD2
HIS
V
94
R
-
O
PRO
A
599
L
-
HE1
HIS
V
94
R
-
O
PRO
A
599
L
-
HE2
HIS
V
94
R
-
CD
PRO
A
599
L
-
HD2
HIS
V
94
R
-
N
SER
A
600
L
-
CE1
HIS
V
94
R
-
N
SER
A
600
L
-
NE2
HIS
V
94
R
-
N
SER
A
600
L
-
HE1
HIS
V
94
R
-
N
SER
A
600
L
-
HE2
HIS
V
94
R
-
CA
SER
A
600
L
-
HG3
GLN
V
92
R
-
CA
SER
A
600
L
-
CE1
HIS
V
94
R
-
CA
SER
A
600
L
-
NE2
HIS
V
94
R
-
CA
SER
A
600
L
-
HE1
HIS
V
94
R
-
CA
SER
A
600
L
-
HE2
HIS
V
94
R
-
C
SER
A
600
L
-
CE1
HIS
V
94
R
-
C
SER
A
600
L
-
NE2
HIS
V
94
R
-
C
SER
A
600
L
-
HE1
HIS
V
94
R
-
C
SER
A
600
L
-
HE2
HIS
V
94
R
-
CB
SER
A
600
L
-
HE2
HIS
V
94
R
-
O
SER
A
600
L
-
CE1
HIS
V
94
R
-
O
SER
A
600
L
-
HE1
HIS
V
94
R
-
N
ILE
A
601
L
-
ND1
HIS
V
94
R
-
N
ILE
A
601
L
-
CE1
HIS
V
94
R
-
N
ILE
A
601
L
-
NE2
HIS
V
94
R
-
N
ILE
A
601
L
-
HE1
HIS
V
94
R
-
N
ILE
A
601
L
-
HE2
HIS
V
94
R
-
CA
ILE
A
601
L
-
ND1
HIS
V
94
R
-
CA
ILE
A
601
L
-
CE1
HIS
V
94
R
-
CA
ILE
A
601
L
-
HE1
HIS
V
94
R
-
C
ILE
A
601
L
-
HE1
HIS
V
94
R
-
CB
ILE
A
601
L
-
ND1
HIS
V
94
R
-
CB
ILE
A
601
L
-
CE1
HIS
V
94
R
-
CB
ILE
A
601
L
-
HE1
HIS
V
94
R
-
O
ILE
A
601
L
-
HE1
HIS
V
94
R
-
CG1
ILE
A
601
L
-
CG
HIS
V
94
R
-
CG1
ILE
A
601
L
-
ND1
HIS
V
94
R
-
CG1
ILE
A
601
L
-
CE1
HIS
V
94
R
-
CG1
ILE
A
601
L
-
HE1
HIS
V
94
R
-
CG2
ILE
A
601
L
-
HE1
HIS
V
94
R
-
CD1
ILE
A
601
L
-
CG
HIS
V
94
R
-
CD1
ILE
A
601
L
-
ND1
HIS
V
94
R
-
CD1
ILE
A
601
L
-
CE1
HIS
V
94
R
-
CD1
ILE
A
601
L
-
HA
HIS
V
94
R
-
CD1
ILE
A
601
L
-
HB3
HIS
V
94
R
-
CD1
ILE
A
601
L
-
HE1
HIS
V
94
R
S
NH1
ARG
A
662
L
H
HD13
ILE
V
159
R
-
O
PRO
A
666
L
H
HE3
LYS
V
124
R
-
CA
VAL
A
667
L
H
HE3
LYS
V
124
R
-
CB
VAL
A
667
L
H
CB
TYR
V
123
R
-
CB
VAL
A
667
L
H
HB3
TYR
V
123
R
-
CB
VAL
A
667
L
H
HD1
TYR
V
123
R
-
CG1
VAL
A
667
L
H
CB
TYR
V
123
R
-
CG1
VAL
A
667
L
H
CG
TYR
V
123
R
-
CG1
VAL
A
667
L
H
CD1
TYR
V
123
R
-
CG1
VAL
A
667
L
H
CE1
TYR
V
123
R
-
CG1
VAL
A
667
L
H
HB2
TYR
V
123
R
-
CG1
VAL
A
667
L
H
HB3
TYR
V
123
R
-
CG1
VAL
A
667
L
H
HD1
TYR
V
123
R
-
CG1
VAL
A
667
L
H
HG3
LYS
V
124
R
-
CG2
VAL
A
667
L
H
CB
TYR
V
123
R
-
CG2
VAL
A
667
L
H
HB2
TYR
V
123
R
-
CG2
VAL
A
667
L
H
HB3
TYR
V
123
R
-
CG2
VAL
A
667
L
-
OE1
GLN
V
161
R
-
N
LEU
A
668
L
H
CE
LYS
V
124
R
-
N
LEU
A
668
L
H
HE2
LYS
V
124
R
-
N
LEU
A
668
L
H
HE3
LYS
V
124
R
-
CA
LEU
A
668
L
H
HE2
LYS
V
124
R
-
C
LEU
A
668
L
H
HE2
LYS
V
124
R
-
C
LEU
A
668
L
H
OE1
GLU
V
127
R
-
C
LEU
A
668
L
H
OE2
GLU
V
127
R
-
CB
LEU
A
668
L
H
HE2
LYS
V
124
R
-
CB
LEU
A
668
L
H
HZ1
LYS
V
124
R
-
O
LEU
A
668
L
H
HD1
TYR
V
123
R
-
O
LEU
A
668
L
H
HG2
LYS
V
124
R
-
O
LEU
A
668
L
H
HE2
LYS
V
124
R
-
O
LEU
A
668
L
H
CD
GLU
V
127
R
-
O
LEU
A
668
L
H
OE1
GLU
V
127
R
-
O
LEU
A
668
L
H
OE2
GLU
V
127
R
-
CD1
LEU
A
668
L
H
HZ1
LYS
V
124
R
-
N
TRP
A
669
L
H
HE1
TYR
V
123
R
-
N
TRP
A
669
L
H
OE1
GLU
V
127
R
-
CA
TRP
A
669
L
H
CE1
TYR
V
123
R
-
CA
TRP
A
669
L
H
HE1
TYR
V
123
R
-
CA
TRP
A
669
L
H
CD
GLU
V
127
R
-
CA
TRP
A
669
L
H
OE1
GLU
V
127
R
-
CA
TRP
A
669
L
H
OE2
GLU
V
127
R
-
C
TRP
A
669
L
-
HD22
ASN
V
96
R
-
C
TRP
A
669
L
H
HE1
TYR
V
123
R
-
C
TRP
A
669
L
H
CD
GLU
V
127
R
-
C
TRP
A
669
L
H
OE1
GLU
V
127
R
-
C
TRP
A
669
L
H
OE2
GLU
V
127
R
-
CB
TRP
A
669
L
H
HE1
TYR
V
123
R
-
CB
TRP
A
669
L
H
HH
TYR
V
123
R
-
CB
TRP
A
669
L
H
OE1
GLU
V
127
R
-
O
TRP
A
669
L
-
ND2
ASN
V
96
R
-
O
TRP
A
669
L
-
HD22
ASN
V
96
R
-
O
TRP
A
669
L
H
OE1
GLU
V
127
R
-
CG
TRP
A
669
L
H
CE1
TYR
V
123
R
-
CG
TRP
A
669
L
H
OH
TYR
V
123
R
-
CG
TRP
A
669
L
H
CZ
TYR
V
123
R
-
CG
TRP
A
669
L
H
HE1
TYR
V
123
R
-
CG
TRP
A
669
L
H
HH
TYR
V
123
R
-
CD1
TRP
A
669
L
H
CD1
TYR
V
123
R
-
CD1
TRP
A
669
L
H
CE1
TYR
V
123
R
-
CD1
TRP
A
669
L
H
OH
TYR
V
123
R
-
CD1
TRP
A
669
L
H
CZ
TYR
V
123
R
-
CD1
TRP
A
669
L
H
HE1
TYR
V
123
R
-
CD1
TRP
A
669
L
H
HH
TYR
V
123
R
-
CD2
TRP
A
669
L
H
CE1
TYR
V
123
R
-
CD2
TRP
A
669
L
H
OH
TYR
V
123
R
-
CD2
TRP
A
669
L
H
CZ
TYR
V
123
R
-
CD2
TRP
A
669
L
H
HE1
TYR
V
123
R
-
CD2
TRP
A
669
L
H
HH
TYR
V
123
R
-
CE2
TRP
A
669
L
H
CE1
TYR
V
123
R
-
CE2
TRP
A
669
L
H
OH
TYR
V
123
R
-
CE2
TRP
A
669
L
H
CZ
TYR
V
123
R
-
CE2
TRP
A
669
L
H
HE1
TYR
V
123
R
-
CE2
TRP
A
669
L
H
HH
TYR
V
123
R
-
CE3
TRP
A
669
L
H
OH
TYR
V
123
R
-
CE3
TRP
A
669
L
H
HH
TYR
V
123
R
-
NE1
TRP
A
669
L
H
CE1
TYR
V
123
R
-
NE1
TRP
A
669
L
H
OH
TYR
V
123
R
-
NE1
TRP
A
669
L
H
CZ
TYR
V
123
R
-
NE1
TRP
A
669
L
H
HE1
TYR
V
123
R
-
NE1
TRP
A
669
L
H
HH
TYR
V
123
R
-
CH2
TRP
A
669
L
H
OH
TYR
V
123
R
-
CH2
TRP
A
669
L
H
HH
TYR
V
123
R
-
CZ2
TRP
A
669
L
H
OH
TYR
V
123
R
-
CZ2
TRP
A
669
L
H
HH
TYR
V
123
R
-
CZ3
TRP
A
669
L
H
OH
TYR
V
123
R
-
CZ3
TRP
A
669
L
H
HH
TYR
V
123
R
-
N
GLY
A
670
L
-
HD22
ASN
V
96
R
-
N
GLY
A
670
L
H
HE1
TYR
V
123
R
-
N
GLY
A
670
L
H
CG
GLU
V
127
R
-
N
GLY
A
670
L
H
CD
GLU
V
127
R
-
N
GLY
A
670
L
H
OE1
GLU
V
127
R
-
N
GLY
A
670
L
H
OE2
GLU
V
127
R
-
N
GLY
A
670
L
H
HG3
GLU
V
127
R
-
CA
GLY
A
670
L
-
CG
ASN
V
96
R
-
CA
GLY
A
670
L
-
ND2
ASN
V
96
R
-
CA
GLY
A
670
L
-
HD21
ASN
V
96
R
-
CA
GLY
A
670
L
-
HD22
ASN
V
96
R
-
CA
GLY
A
670
L
H
CD
GLU
V
127
R
-
CA
GLY
A
670
L
H
OE1
GLU
V
127
R
-
C
GLY
A
670
L
H
CB
GLU
V
127
R
-
C
GLY
A
670
L
H
CG
GLU
V
127
R
-
C
GLY
A
670
L
H
CD
GLU
V
127
R
-
C
GLY
A
670
L
H
OE1
GLU
V
127
R
-
C
GLY
A
670
L
H
HB3
GLU
V
127
R
-
C
GLY
A
670
L
H
HG3
GLU
V
127
R
-
O
GLY
A
670
L
H
CB
GLU
V
127
R
-
O
GLY
A
670
L
H
CG
GLU
V
127
R
-
O
GLY
A
670
L
H
CD
GLU
V
127
R
-
O
GLY
A
670
L
H
OE1
GLU
V
127
R
-
O
GLY
A
670
L
H
HB2
GLU
V
127
R
-
O
GLY
A
670
L
H
HB3
GLU
V
127
R
-
O
GLY
A
670
L
H
HG3
GLU
V
127
R
-
O
GLY
A
670
L
H
HE21
GLN
V
131
R
-
N
TRP
A
671
L
H
OE1
GLU
V
127
R
-
N
TRP
A
671
L
H
HB3
GLU
V
127
R
-
N
TRP
A
671
L
H
HG3
GLU
V
127
R
-
CA
TRP
A
671
L
H
HB3
GLU
V
127
R
-
CG
TRP
A
671
L
H
HG3
GLU
V
127
R
-
CD1
TRP
A
671
L
H
OH
TYR
V
123
R
-
CD1
TRP
A
671
L
H
HH
TYR
V
123
R
-
CD1
TRP
A
671
L
H
OE1
GLU
V
127
R
-
CD1
TRP
A
671
L
H
HG3
GLU
V
127
R
-
CD2
TRP
A
671
L
H
HE1
TYR
V
126
R
-
CD2
TRP
A
671
L
H
HA
GLU
V
127
R
-
CD2
TRP
A
671
L
H
HG3
GLU
V
127
R
-
CE2
TRP
A
671
L
H
OH
TYR
V
123
R
-
CE2
TRP
A
671
L
H
CD1
TYR
V
126
R
-
CE2
TRP
A
671
L
H
CE1
TYR
V
126
R
-
CE2
TRP
A
671
L
H
OH
TYR
V
126
R
-
CE2
TRP
A
671
L
H
CZ
TYR
V
126
R
-
CE2
TRP
A
671
L
H
HD1
TYR
V
126
R
-
CE2
TRP
A
671
L
H
HE1
TYR
V
126
R
-
CE2
TRP
A
671
L
H
HG3
GLU
V
127
R
-
CE3
TRP
A
671
L
H
HE1
TYR
V
126
R
-
CE3
TRP
A
671
L
H
HA
GLU
V
127
R
-
CE3
TRP
A
671
L
H
OG
SER
V
130
R
-
CE3
TRP
A
671
L
H
HG
SER
V
130
R
-
CE3
TRP
A
671
L
H
HD13
LEU
V
170
R
-
CE3
TRP
A
671
L
H
HD23
LEU
V
170
R
-
NE1
TRP
A
671
L
H
OH
TYR
V
123
R
-
NE1
TRP
A
671
L
H
CZ
TYR
V
123
R
-
NE1
TRP
A
671
L
H
HE1
TYR
V
123
R
-
NE1
TRP
A
671
L
H
HH
TYR
V
123
R
-
NE1
TRP
A
671
L
H
HE1
TYR
V
126
R
-
NE1
TRP
A
671
L
H
HG3
GLU
V
127
R
-
CH2
TRP
A
671
L
H
CD1
TYR
V
126
R
-
CH2
TRP
A
671
L
H
CE1
TYR
V
126
R
-
CH2
TRP
A
671
L
H
CE2
TYR
V
126
R
-
CH2
TRP
A
671
L
H
OH
TYR
V
126
R
-
CH2
TRP
A
671
L
H
CZ
TYR
V
126
R
-
CH2
TRP
A
671
L
H
HD1
TYR
V
126
R
-
CH2
TRP
A
671
L
H
HE1
TYR
V
126
R
-
CH2
TRP
A
671
L
H
HE2
TYR
V
126
R
-
CH2
TRP
A
671
L
H
HH
TYR
V
126
R
-
CH2
TRP
A
671
L
H
CD2
LEU
V
170
R
-
CH2
TRP
A
671
L
H
HB2
LEU
V
170
R
-
CH2
TRP
A
671
L
H
HD13
LEU
V
170
R
-
CH2
TRP
A
671
L
H
HD23
LEU
V
170
R
-
CZ2
TRP
A
671
L
H
OH
TYR
V
123
R
-
CZ2
TRP
A
671
L
H
CD1
TYR
V
126
R
-
CZ2
TRP
A
671
L
H
CE1
TYR
V
126
R
-
CZ2
TRP
A
671
L
H
OH
TYR
V
126
R
-
CZ2
TRP
A
671
L
H
CZ
TYR
V
126
R
-
CZ2
TRP
A
671
L
H
HD1
TYR
V
126
R
-
CZ2
TRP
A
671
L
H
HE1
TYR
V
126
R
-
CZ2
TRP
A
671
L
H
HH
TYR
V
126
R
-
CZ3
TRP
A
671
L
H
CE1
TYR
V
126
R
-
CZ3
TRP
A
671
L
H
OH
TYR
V
126
R
-
CZ3
TRP
A
671
L
H
CZ
TYR
V
126
R
-
CZ3
TRP
A
671
L
H
HE1
TYR
V
126
R
-
CZ3
TRP
A
671
L
H
HH
TYR
V
126
R
-
CZ3
TRP
A
671
L
H
HG
SER
V
130
R
-
CZ3
TRP
A
671
L
H
CG
LEU
V
170
R
-
CZ3
TRP
A
671
L
H
CD1
LEU
V
170
R
-
CZ3
TRP
A
671
L
H
CD2
LEU
V
170
R
-
CZ3
TRP
A
671
L
H
HB2
LEU
V
170
R
-
CZ3
TRP
A
671
L
H
HD12
LEU
V
170
R
-
CZ3
TRP
A
671
L
H
HD13
LEU
V
170
R
-
CZ3
TRP
A
671
L
H
HD22
LEU
V
170
R
-
CZ3
TRP
A
671
L
H
HD23
LEU
V
170
R
-
N
SER
A
672
L
H
HG2
GLN
V
131
R
-
N
SER
A
672
L
H
HE21
GLN
V
131
R
-
CA
SER
A
672
L
H
HG2
GLN
V
131
R
-
CA
SER
A
672
L
H
HE21
GLN
V
131
R
-
C
SER
A
672
L
H
CB
SER
V
130
R
-
C
SER
A
672
L
H
HB2
SER
V
130
R
-
C
SER
A
672
L
H
HB3
SER
V
130
R
-
C
SER
A
672
L
H
HG2
GLN
V
131
R
-
CB
SER
A
672
L
H
CG
GLN
V
131
R
-
CB
SER
A
672
L
H
CD
GLN
V
131
R
-
CB
SER
A
672
L
H
NE2
GLN
V
131
R
-
CB
SER
A
672
L
H
HG2
GLN
V
131
R
-
CB
SER
A
672
L
H
HG3
GLN
V
131
R
-
CB
SER
A
672
L
H
HE21
GLN
V
131
R
-
O
SER
A
672
L
H
CA
SER
V
130
R
-
O
SER
A
672
L
H
C
SER
V
130
R
-
O
SER
A
672
L
H
CB
SER
V
130
R
-
O
SER
A
672
L
H
OG
SER
V
130
R
-
O
SER
A
672
L
H
HB2
SER
V
130
R
-
O
SER
A
672
L
H
HB3
SER
V
130
R
-
O
SER
A
672
L
H
HG
SER
V
130
R
-
O
SER
A
672
L
H
N
GLN
V
131
R
-
O
SER
A
672
L
H
CG
GLN
V
131
R
-
O
SER
A
672
L
H
H
GLN
V
131
R
-
O
SER
A
672
L
H
HA
GLN
V
131
R
-
O
SER
A
672
L
H
HG2
GLN
V
131
R
-
O
SER
A
672
L
H
HG3
GLN
V
131
R
-
OG
SER
A
672
L
H
CB
GLN
V
131
R
-
OG
SER
A
672
L
H
CG
GLN
V
131
R
-
OG
SER
A
672
L
H
CD
GLN
V
131
R
-
OG
SER
A
672
L
H
NE2
GLN
V
131
R
-
OG
SER
A
672
L
H
OE1
GLN
V
131
R
-
OG
SER
A
672
L
H
HB3
GLN
V
131
R
-
OG
SER
A
672
L
H
HG2
GLN
V
131
R
-
OG
SER
A
672
L
H
HG3
GLN
V
131
R
-
OG
SER
A
672
L
H
HE21
GLN
V
131
R
-
OG
SER
A
672
L
H
HE22
GLN
V
131
R
-
N
LEU
A
673
L
H
HB3
SER
V
130
R
-
CA
LEU
A
673
L
H
HB3
SER
V
130
R
-
C
LEU
A
673
L
H
HB3
SER
V
130
R
-
C
LEU
A
673
L
H
OE1
GLN
V
134
R
-
O
LEU
A
673
L
H
OE1
GLN
V
134
R
-
CD2
LEU
A
673
L
H
SD
MET
V
173
R
-
N
PRO
A
674
L
H
HB3
SER
V
130
R
-
N
PRO
A
674
L
H
CD
GLN
V
134
R
-
N
PRO
A
674
L
H
OE1
GLN
V
134
R
-
N
PRO
A
674
L
H
HB2
GLN
V
134
R
-
CA
PRO
A
674
L
H
CB
GLN
V
134
R
-
CA
PRO
A
674
L
H
CG
GLN
V
134
R
-
CA
PRO
A
674
L
H
CD
GLN
V
134
R
-
CA
PRO
A
674
L
H
NE2
GLN
V
134
R
-
CA
PRO
A
674
L
H
OE1
GLN
V
134
R
-
CA
PRO
A
674
L
H
HB2
GLN
V
134
R
-
CA
PRO
A
674
L
H
HG2
GLN
V
134
R
-
CA
PRO
A
674
L
H
HE22
GLN
V
134
R
-
C
PRO
A
674
L
H
CD
GLN
V
134
R
-
C
PRO
A
674
L
H
OE1
GLN
V
134
R
-
CB
PRO
A
674
L
H
CA
GLN
V
134
R
-
CB
PRO
A
674
L
H
CB
GLN
V
134
R
-
CB
PRO
A
674
L
H
CG
GLN
V
134
R
-
CB
PRO
A
674
L
H
CD
GLN
V
134
R
-
CB
PRO
A
674
L
H
NE2
GLN
V
134
R
-
CB
PRO
A
674
L
H
OE1
GLN
V
134
R
-
CB
PRO
A
674
L
H
HA
GLN
V
134
R
-
CB
PRO
A
674
L
H
HB2
GLN
V
134
R
-
CB
PRO
A
674
L
H
HB3
GLN
V
134
R
-
CB
PRO
A
674
L
H
HG2
GLN
V
134
R
-
CB
PRO
A
674
L
H
HG3
GLN
V
134
R
-
CG
PRO
A
674
L
H
O
SER
V
130
R
-
CG
PRO
A
674
L
H
HB3
SER
V
130
R
-
CG
PRO
A
674
L
H
N
GLN
V
134
R
-
CG
PRO
A
674
L
H
CA
GLN
V
134
R
-
CG
PRO
A
674
L
H
CB
GLN
V
134
R
-
CG
PRO
A
674
L
H
CG
GLN
V
134
R
-
CG
PRO
A
674
L
H
OE1
GLN
V
134
R
-
CG
PRO
A
674
L
H
H
GLN
V
134
R
-
CG
PRO
A
674
L
H
HA
GLN
V
134
R
-
CG
PRO
A
674
L
H
HB2
GLN
V
134
R
-
CG
PRO
A
674
L
H
HB3
GLN
V
134
R
-
CG
PRO
A
674
L
H
HG2
GLN
V
134
R
-
CG
PRO
A
674
L
-
HD22
LEU
V
174
R
-
CG
PRO
A
674
L
-
HD23
LEU
V
174
R
-
CD
PRO
A
674
L
H
CB
SER
V
130
R
-
CD
PRO
A
674
L
H
O
SER
V
130
R
-
CD
PRO
A
674
L
H
HB3
SER
V
130
R
-
CD
PRO
A
674
L
H
OE1
GLN
V
134
R
-
CD
PRO
A
674
L
H
HB2
GLN
V
134
R
-
CD
PRO
A
674
L
-
HD23
LEU
V
174
R
-
N
SER
A
675
L
H
CD
GLN
V
134
R
-
N
SER
A
675
L
H
NE2
GLN
V
134
R
-
N
SER
A
675
L
H
OE1
GLN
V
134
R
-
N
SER
A
675
L
H
HE22
GLN
V
134
R
-
O
SER
A
675
L
H
HG2
GLN
V
134
R
-
OG
SER
A
675
L
H
HE22
GLN
V
134