A1IGU5_Q969Q5.1
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
ASN
A
296
L
-
ILE
V
41
R
H
ASN
A
296
L
-
GLY
V
42
R
H
ASN
A
296
L
S
ALA
V
43
R
H
ASN
A
296
L
H
TYR
V
77
R
H
ALA
A
299
L
S
TRP
V
62
R
H
PHE
A
300
L
S
TRP
V
62
R
H
PHE
A
300
L
H
ILE
V
76
R
-
PHE
A
303
L
S
TRP
V
62
R
-
PHE
A
303
L
S
LYS
V
9
R
-
TYR
A
308
L
S
ASP
V
7
R
-
ASP
A
311
L
H
GLU
V
183
R
-
ILE
A
312
L
H
GLU
V
183
R
-
PRO
A
313
L
H
GLU
V
183
R
H
TYR
A
320
L
-
GLU
V
110
R
H
TYR
A
320
L
-
ARG
V
79
R
H
TYR
A
320
L
-
GLY
V
80
R
H
LEU
A
323
L
-
ARG
V
79
R
H
ALA
A
324
L
-
ARG
V
79
R
H
LEU
A
327
L
-
ARG
V
79
R
H
VAL
A
435
L
-
ARG
V
79
R
H
PHE
A
456
L
-
GLU
V
111
R
H
VAL
A
460
L
-
GLU
V
111
R
H
GLU
A
461
L
-
LYS
V
147
R
H
THR
A
467
L
H
PHE
V
178
R
H
GLN
A
470
L
H
PHE
V
178
R
H
GLN
A
470
L
H
THR
V
182
R
H
LEU
A
471
L
H
SER
V
174
R
-
SER
A
518
L
H
LYS
V
167
R
-
SER
A
518
L
H
GLU
V
170
R
-
GLY
A
519
L
S
GLN
V
149
R
-
GLY
A
519
L
S
PHE
V
151
R
-
GLY
A
519
L
H
LYS
V
167
R
-
THR
A
520
L
S
GLN
V
149
R
-
THR
A
520
L
S
LEU
V
150
R
-
THR
A
520
L
H
LYS
V
167
R
-
GLY
A
521
L
H
PHE
V
136
R
-
GLY
A
521
L
S
LEU
V
150
R
-
GLY
A
521
L
S
PHE
V
151
R
-
THR
A
522
L
H
PHE
V
136
R
-
THR
A
522
L
S
LEU
V
150
R
-
THR
A
522
L
S
PHE
V
151
R
-
THR
A
522
L
S
GLU
V
152
R
-
LEU
A
523
L
S
GLU
V
152
R
-
LEU
A
523
L
-
GLN
V
159
R
-
ASP
A
524
L
S
PHE
V
151
R
-
ASP
A
524
L
-
SER
V
160
R
-
ASP
A
524
L
H
GLU
V
163
R
-
LEU
A
525
L
-
SER
V
160
R
-
LEU
A
525
L
H
GLU
V
163
R
-
THR
A
526
L
S
PHE
V
151
R
-
THR
A
526
L
H
GLU
V
163
R
-
THR
A
526
L
H
GLN
V
166
R
-
THR
A
526
L
H
LYS
V
167
R
-
THR
A
526
L
H
GLU
V
170
R
-
THR
A
541
L
H
ARG
V
129
R
-
LYS
A
542
L
H
PHE
V
136
R
-
LYS
A
542
L
H
HIS
V
137
R
-
HIS
A
555
L
-
GLY
V
158
R
-
HIS
A
555
L
-
GLN
V
159
R
-
HIS
A
555
L
-
SER
V
160
R
S
ARG
A
556
L
-
GLN
V
159
A1IGU5_Q969Q5.1
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
H
CB
ASN
A
296
L
H
OH
TYR
V
77
R
H
CB
ASN
A
296
L
H
HH
TYR
V
77
R
H
O
ASN
A
296
L
H
HE1
TYR
V
77
R
H
CG
ASN
A
296
L
-
HA3
GLY
V
42
R
H
CG
ASN
A
296
L
S
H
ALA
V
43
R
H
CG
ASN
A
296
L
H
OH
TYR
V
77
R
H
ND2
ASN
A
296
L
-
O
ILE
V
41
R
H
ND2
ASN
A
296
L
-
HG23
ILE
V
41
R
H
ND2
ASN
A
296
L
-
HA3
GLY
V
42
R
H
OD1
ASN
A
296
L
-
HA3
GLY
V
42
R
H
OD1
ASN
A
296
L
S
O
ALA
V
43
R
H
OD1
ASN
A
296
L
S
H
ALA
V
43
R
H
CA
ALA
A
299
L
S
HH2
TRP
V
62
R
H
C
ALA
A
299
L
S
CH2
TRP
V
62
R
H
C
ALA
A
299
L
S
HH2
TRP
V
62
R
H
CB
ALA
A
299
L
S
HH2
TRP
V
62
R
H
O
ALA
A
299
L
S
CH2
TRP
V
62
R
H
O
ALA
A
299
L
S
HH2
TRP
V
62
R
H
N
PHE
A
300
L
S
HH2
TRP
V
62
R
H
CA
PHE
A
300
L
S
CH2
TRP
V
62
R
H
CA
PHE
A
300
L
S
HH2
TRP
V
62
R
H
CG
PHE
A
300
L
H
CG2
ILE
V
76
R
H
CG
PHE
A
300
L
H
HG21
ILE
V
76
R
H
CG
PHE
A
300
L
H
HG22
ILE
V
76
R
H
CG
PHE
A
300
L
H
HG23
ILE
V
76
R
H
CD1
PHE
A
300
L
H
HG21
ILE
V
76
R
H
CD1
PHE
A
300
L
H
HG22
ILE
V
76
R
H
CD1
PHE
A
300
L
H
HG23
ILE
V
76
R
H
CD2
PHE
A
300
L
H
O
ILE
V
76
R
H
CD2
PHE
A
300
L
H
CG2
ILE
V
76
R
H
CD2
PHE
A
300
L
H
HG21
ILE
V
76
R
H
CD2
PHE
A
300
L
H
HG22
ILE
V
76
R
H
CD2
PHE
A
300
L
H
HG23
ILE
V
76
R
H
CE1
PHE
A
300
L
H
HG23
ILE
V
76
R
H
CE2
PHE
A
300
L
H
O
ILE
V
76
R
H
CE2
PHE
A
300
L
H
CG2
ILE
V
76
R
H
CE2
PHE
A
300
L
H
HG21
ILE
V
76
R
H
CE2
PHE
A
300
L
H
HG22
ILE
V
76
R
H
CE2
PHE
A
300
L
H
HG23
ILE
V
76
R
H
CZ
PHE
A
300
L
H
CG2
ILE
V
76
R
H
CZ
PHE
A
300
L
H
HG21
ILE
V
76
R
H
CZ
PHE
A
300
L
H
HG23
ILE
V
76
R
-
CB
PHE
A
303
L
S
CZ2
TRP
V
62
R
-
CB
PHE
A
303
L
S
HZ2
TRP
V
62
R
-
CG
PHE
A
303
L
S
HZ2
TRP
V
62
R
-
CG
PHE
A
303
L
S
HE1
TRP
V
62
R
-
CD1
PHE
A
303
L
S
HD2
LYS
V
9
R
-
CD1
PHE
A
303
L
S
HZ2
LYS
V
9
R
-
CD1
PHE
A
303
L
S
HZ2
TRP
V
62
R
-
CD1
PHE
A
303
L
S
HE1
TRP
V
62
R
-
CE1
PHE
A
303
L
S
CD
LYS
V
9
R
-
CE1
PHE
A
303
L
S
HB2
LYS
V
9
R
-
CE1
PHE
A
303
L
S
HG2
LYS
V
9
R
-
CE1
PHE
A
303
L
S
HD2
LYS
V
9
R
-
CE1
PHE
A
303
L
S
HD3
LYS
V
9
R
-
CE1
PHE
A
303
L
S
HZ2
LYS
V
9
R
-
CE1
PHE
A
303
L
S
HE1
TRP
V
62
R
-
CZ
PHE
A
303
L
S
HB2
LYS
V
9
R
-
CZ
PHE
A
303
L
S
HD2
LYS
V
9
R
-
CG
TYR
A
308
L
S
HB2
ASP
V
7
R
-
CD1
TYR
A
308
L
S
OD2
ASP
V
7
R
-
CD1
TYR
A
308
L
S
HB2
ASP
V
7
R
-
CE1
TYR
A
308
L
S
CG
ASP
V
7
R
-
CE1
TYR
A
308
L
S
OD2
ASP
V
7
R
-
CE1
TYR
A
308
L
S
HB2
ASP
V
7
R
-
OH
TYR
A
308
L
S
OD2
ASP
V
7
R
-
CZ
TYR
A
308
L
S
OD2
ASP
V
7
R
-
C
ASP
A
311
L
H
OE2
GLU
V
183
R
-
O
ASP
A
311
L
H
CD
GLU
V
183
R
-
O
ASP
A
311
L
H
OE2
GLU
V
183
R
-
N
ILE
A
312
L
H
OE2
GLU
V
183
R
-
CA
ILE
A
312
L
H
CD
GLU
V
183
R
-
CA
ILE
A
312
L
H
OE1
GLU
V
183
R
-
CA
ILE
A
312
L
H
OE2
GLU
V
183
R
-
CB
ILE
A
312
L
H
CD
GLU
V
183
R
-
CB
ILE
A
312
L
H
OE1
GLU
V
183
R
-
CB
ILE
A
312
L
H
OE2
GLU
V
183
R
-
CG1
ILE
A
312
L
H
CD
GLU
V
183
R
-
CG1
ILE
A
312
L
H
OE1
GLU
V
183
R
-
CG1
ILE
A
312
L
H
OE2
GLU
V
183
R
-
CG2
ILE
A
312
L
H
CD
GLU
V
183
R
-
CG2
ILE
A
312
L
H
OE1
GLU
V
183
R
-
CD1
ILE
A
312
L
H
OE1
GLU
V
183
R
-
CD
PRO
A
313
L
H
OE2
GLU
V
183
R
H
CE1
TYR
A
320
L
-
HA2
GLY
V
80
R
H
OH
TYR
A
320
L
-
CG
ARG
V
79
R
H
OH
TYR
A
320
L
-
HG2
ARG
V
79
R
H
OH
TYR
A
320
L
-
HG3
ARG
V
79
R
H
OH
TYR
A
320
L
-
HE
ARG
V
79
R
H
OH
TYR
A
320
L
-
N
GLY
V
80
R
H
OH
TYR
A
320
L
-
CA
GLY
V
80
R
H
OH
TYR
A
320
L
-
H
GLY
V
80
R
H
OH
TYR
A
320
L
-
HA2
GLY
V
80
R
H
OH
TYR
A
320
L
-
HA3
GLY
V
80
R
H
OH
TYR
A
320
L
-
OE1
GLU
V
110
R
H
CZ
TYR
A
320
L
-
HA2
GLY
V
80
R
H
CZ
TYR
A
320
L
-
HA3
GLY
V
80
R
H
CG
LEU
A
323
L
-
NH2
ARG
V
79
R
H
CG
LEU
A
323
L
-
HH21
ARG
V
79
R
H
CG
LEU
A
323
L
-
HH22
ARG
V
79
R
H
CD1
LEU
A
323
L
-
HH22
ARG
V
79
R
H
CD2
LEU
A
323
L
-
NH2
ARG
V
79
R
H
CD2
LEU
A
323
L
-
HH21
ARG
V
79
R
H
CD2
LEU
A
323
L
-
HH22
ARG
V
79
R
H
N
ALA
A
324
L
-
HH21
ARG
V
79
R
H
CA
ALA
A
324
L
-
HH21
ARG
V
79
R
H
CG
LEU
A
327
L
-
HH22
ARG
V
79
R
H
CD1
LEU
A
327
L
-
NH1
ARG
V
79
R
H
CD1
LEU
A
327
L
-
NH2
ARG
V
79
R
H
CD1
LEU
A
327
L
-
CZ
ARG
V
79
R
H
CD1
LEU
A
327
L
-
HH12
ARG
V
79
R
H
CD1
LEU
A
327
L
-
HH21
ARG
V
79
R
H
CD1
LEU
A
327
L
-
HH22
ARG
V
79
R
H
CG1
VAL
A
435
L
-
NH1
ARG
V
79
R
H
CG1
VAL
A
435
L
-
HH12
ARG
V
79
R
H
CD1
PHE
A
456
L
-
OE2
GLU
V
111
R
H
CE1
PHE
A
456
L
-
CD
GLU
V
111
R
H
CE1
PHE
A
456
L
-
OE2
GLU
V
111
R
H
CZ
PHE
A
456
L
-
OE2
GLU
V
111
R
H
CB
VAL
A
460
L
-
OE1
GLU
V
111
R
H
CG1
VAL
A
460
L
-
OE1
GLU
V
111
R
H
CG2
VAL
A
460
L
-
OE1
GLU
V
111
R
H
CA
GLU
A
461
L
-
NZ
LYS
V
147
R
H
CA
GLU
A
461
L
-
HZ1
LYS
V
147
R
H
CA
GLU
A
461
L
-
HZ2
LYS
V
147
R
H
CA
GLU
A
461
L
-
HZ3
LYS
V
147
R
H
CB
GLU
A
461
L
-
NZ
LYS
V
147
R
H
CB
GLU
A
461
L
-
HZ1
LYS
V
147
R
H
CB
GLU
A
461
L
-
HZ2
LYS
V
147
R
H
CB
GLU
A
461
L
-
HZ3
LYS
V
147
R
H
O
GLU
A
461
L
-
HZ3
LYS
V
147
R
H
CG
GLU
A
461
L
-
NZ
LYS
V
147
R
H
CG
GLU
A
461
L
-
HZ1
LYS
V
147
R
H
CG
GLU
A
461
L
-
HZ2
LYS
V
147
R
H
CG
GLU
A
461
L
-
HZ3
LYS
V
147
R
H
CD
GLU
A
461
L
-
HZ1
LYS
V
147
R
H
CD
GLU
A
461
L
-
HZ2
LYS
V
147
R
H
OE2
GLU
A
461
L
-
HZ1
LYS
V
147
R
H
CA
THR
A
467
L
H
CE1
PHE
V
178
R
H
CA
THR
A
467
L
H
CZ
PHE
V
178
R
H
CA
THR
A
467
L
H
HE1
PHE
V
178
R
H
CA
THR
A
467
L
H
HZ
PHE
V
178
R
H
CB
THR
A
467
L
H
CD1
PHE
V
178
R
H
CB
THR
A
467
L
H
CE1
PHE
V
178
R
H
CB
THR
A
467
L
H
CZ
PHE
V
178
R
H
CB
THR
A
467
L
H
HD1
PHE
V
178
R
H
CB
THR
A
467
L
H
HE1
PHE
V
178
R
H
CB
THR
A
467
L
H
HZ
PHE
V
178
R
H
CG2
THR
A
467
L
H
CD1
PHE
V
178
R
H
CG2
THR
A
467
L
H
CE1
PHE
V
178
R
H
CG2
THR
A
467
L
H
CZ
PHE
V
178
R
H
CG2
THR
A
467
L
H
HD1
PHE
V
178
R
H
CG2
THR
A
467
L
H
HE1
PHE
V
178
R
H
CG2
THR
A
467
L
H
HZ
PHE
V
178
R
H
CA
GLN
A
470
L
H
HE2
PHE
V
178
R
H
C
GLN
A
470
L
H
HE2
PHE
V
178
R
H
CB
GLN
A
470
L
H
CE2
PHE
V
178
R
H
CB
GLN
A
470
L
H
CZ
PHE
V
178
R
H
CB
GLN
A
470
L
H
HE2
PHE
V
178
R
H
CB
GLN
A
470
L
H
HZ
PHE
V
178
R
H
CG
GLN
A
470
L
H
CE2
PHE
V
178
R
H
CG
GLN
A
470
L
H
CZ
PHE
V
178
R
H
CG
GLN
A
470
L
H
HE2
PHE
V
178
R
H
CG
GLN
A
470
L
H
HZ
PHE
V
178
R
H
CD
GLN
A
470
L
H
CE2
PHE
V
178
R
H
CD
GLN
A
470
L
H
CZ
PHE
V
178
R
H
CD
GLN
A
470
L
H
HE2
PHE
V
178
R
H
CD
GLN
A
470
L
H
HZ
PHE
V
178
R
H
NE2
GLN
A
470
L
H
CZ
PHE
V
178
R
H
NE2
GLN
A
470
L
H
HE2
PHE
V
178
R
H
NE2
GLN
A
470
L
H
HZ
PHE
V
178
R
H
OE1
GLN
A
470
L
H
CD2
PHE
V
178
R
H
OE1
GLN
A
470
L
H
CE1
PHE
V
178
R
H
OE1
GLN
A
470
L
H
CE2
PHE
V
178
R
H
OE1
GLN
A
470
L
H
CZ
PHE
V
178
R
H
OE1
GLN
A
470
L
H
HE1
PHE
V
178
R
H
OE1
GLN
A
470
L
H
HE2
PHE
V
178
R
H
OE1
GLN
A
470
L
H
HZ
PHE
V
178
R
H
OE1
GLN
A
470
L
H
HG21
THR
V
182
R
H
CG
LEU
A
471
L
H
HB3
SER
V
174
R
H
CD1
LEU
A
471
L
H
CB
SER
V
174
R
H
CD1
LEU
A
471
L
H
HB3
SER
V
174
R
H
CD2
LEU
A
471
L
H
CB
SER
V
174
R
H
CD2
LEU
A
471
L
H
HB2
SER
V
174
R
H
CD2
LEU
A
471
L
H
HB3
SER
V
174
R
-
CA
SER
A
518
L
H
HD2
LYS
V
167
R
-
C
SER
A
518
L
H
HE2
LYS
V
167
R
-
CB
SER
A
518
L
H
CE
LYS
V
167
R
-
CB
SER
A
518
L
H
NZ
LYS
V
167
R
-
CB
SER
A
518
L
H
HD2
LYS
V
167
R
-
CB
SER
A
518
L
H
HE2
LYS
V
167
R
-
CB
SER
A
518
L
H
HZ2
LYS
V
167
R
-
CB
SER
A
518
L
H
HZ3
LYS
V
167
R
-
OG
SER
A
518
L
H
NZ
LYS
V
167
R
-
OG
SER
A
518
L
H
HD2
LYS
V
167
R
-
OG
SER
A
518
L
H
HZ2
LYS
V
167
R
-
OG
SER
A
518
L
H
HZ3
LYS
V
167
R
-
OG
SER
A
518
L
H
OE2
GLU
V
170
R
-
C
GLY
A
519
L
S
HZ
PHE
V
151
R
-
C
GLY
A
519
L
H
HE2
LYS
V
167
R
-
O
GLY
A
519
L
S
OE1
GLN
V
149
R
-
O
GLY
A
519
L
S
CE1
PHE
V
151
R
-
O
GLY
A
519
L
S
CE2
PHE
V
151
R
-
O
GLY
A
519
L
S
CZ
PHE
V
151
R
-
O
GLY
A
519
L
S
HE1
PHE
V
151
R
-
O
GLY
A
519
L
S
HZ
PHE
V
151
R
-
O
GLY
A
519
L
H
HG2
LYS
V
167
R
-
O
GLY
A
519
L
H
HD2
LYS
V
167
R
-
O
GLY
A
519
L
H
HE2
LYS
V
167
R
-
CA
THR
A
520
L
S
HB3
GLN
V
149
R
-
C
THR
A
520
L
S
HB3
GLN
V
149
R
-
C
THR
A
520
L
S
O
LEU
V
150
R
-
C
THR
A
520
L
S
H
LEU
V
150
R
-
CB
THR
A
520
L
S
HG2
GLN
V
149
R
-
O
THR
A
520
L
S
CA
GLN
V
149
R
-
O
THR
A
520
L
S
C
GLN
V
149
R
-
O
THR
A
520
L
S
CB
GLN
V
149
R
-
O
THR
A
520
L
S
HA
GLN
V
149
R
-
O
THR
A
520
L
S
HB3
GLN
V
149
R
-
O
THR
A
520
L
S
N
LEU
V
150
R
-
O
THR
A
520
L
S
CA
LEU
V
150
R
-
O
THR
A
520
L
S
C
LEU
V
150
R
-
O
THR
A
520
L
S
CB
LEU
V
150
R
-
O
THR
A
520
L
S
O
LEU
V
150
R
-
O
THR
A
520
L
S
H
LEU
V
150
R
-
O
THR
A
520
L
S
HB3
LEU
V
150
R
-
CG2
THR
A
520
L
S
OE1
GLN
V
149
R
-
CG2
THR
A
520
L
S
HG2
GLN
V
149
R
-
CG2
THR
A
520
L
H
HE2
LYS
V
167
R
-
N
GLY
A
521
L
S
O
LEU
V
150
R
-
CA
GLY
A
521
L
H
HZ
PHE
V
136
R
-
CA
GLY
A
521
L
S
O
LEU
V
150
R
-
CA
GLY
A
521
L
S
HB3
LEU
V
150
R
-
C
GLY
A
521
L
H
HZ
PHE
V
136
R
-
C
GLY
A
521
L
S
C
LEU
V
150
R
-
C
GLY
A
521
L
S
O
LEU
V
150
R
-
C
GLY
A
521
L
S
HB3
LEU
V
150
R
-
C
GLY
A
521
L
S
HG
LEU
V
150
R
-
C
GLY
A
521
L
S
HA
PHE
V
151
R
-
O
GLY
A
521
L
S
C
LEU
V
150
R
-
O
GLY
A
521
L
S
O
LEU
V
150
R
-
O
GLY
A
521
L
S
HA
PHE
V
151
R
-
N
THR
A
522
L
H
CE2
PHE
V
136
R
-
N
THR
A
522
L
H
CZ
PHE
V
136
R
-
N
THR
A
522
L
H
HE2
PHE
V
136
R
-
N
THR
A
522
L
H
HZ
PHE
V
136
R
-
N
THR
A
522
L
S
O
LEU
V
150
R
-
N
THR
A
522
L
S
CG
LEU
V
150
R
-
N
THR
A
522
L
S
HB3
LEU
V
150
R
-
N
THR
A
522
L
S
HG
LEU
V
150
R
-
N
THR
A
522
L
S
HD21
LEU
V
150
R
-
N
THR
A
522
L
S
HA
PHE
V
151
R
-
CA
THR
A
522
L
H
CE2
PHE
V
136
R
-
CA
THR
A
522
L
H
CZ
PHE
V
136
R
-
CA
THR
A
522
L
H
HE2
PHE
V
136
R
-
CA
THR
A
522
L
H
HZ
PHE
V
136
R
-
CA
THR
A
522
L
S
O
LEU
V
150
R
-
CA
THR
A
522
L
S
HG
LEU
V
150
R
-
CA
THR
A
522
L
S
HA
PHE
V
151
R
-
CA
THR
A
522
L
S
H
GLU
V
152
R
-
CA
THR
A
522
L
S
HG3
GLU
V
152
R
-
C
THR
A
522
L
H
HE2
PHE
V
136
R
-
C
THR
A
522
L
S
H
GLU
V
152
R
-
CB
THR
A
522
L
H
CD2
PHE
V
136
R
-
CB
THR
A
522
L
H
CE2
PHE
V
136
R
-
CB
THR
A
522
L
H
CZ
PHE
V
136
R
-
CB
THR
A
522
L
H
HD2
PHE
V
136
R
-
CB
THR
A
522
L
H
HE2
PHE
V
136
R
-
CB
THR
A
522
L
H
HZ
PHE
V
136
R
-
CB
THR
A
522
L
S
HG
LEU
V
150
R
-
CB
THR
A
522
L
S
HD21
LEU
V
150
R
-
CB
THR
A
522
L
S
HD22
LEU
V
150
R
-
CB
THR
A
522
L
S
CG
GLU
V
152
R
-
CB
THR
A
522
L
S
HG3
GLU
V
152
R
-
O
THR
A
522
L
H
HE2
PHE
V
136
R
-
O
THR
A
522
L
H
HZ
PHE
V
136
R
-
CG2
THR
A
522
L
H
CD2
PHE
V
136
R
-
CG2
THR
A
522
L
H
CE2
PHE
V
136
R
-
CG2
THR
A
522
L
H
HD2
PHE
V
136
R
-
CG2
THR
A
522
L
H
HE2
PHE
V
136
R
-
CG2
THR
A
522
L
S
HG
LEU
V
150
R
-
CG2
THR
A
522
L
S
N
GLU
V
152
R
-
CG2
THR
A
522
L
S
CB
GLU
V
152
R
-
CG2
THR
A
522
L
S
CG
GLU
V
152
R
-
CG2
THR
A
522
L
S
CD
GLU
V
152
R
-
CG2
THR
A
522
L
S
OE1
GLU
V
152
R
-
CG2
THR
A
522
L
S
OE2
GLU
V
152
R
-
CG2
THR
A
522
L
S
H
GLU
V
152
R
-
CG2
THR
A
522
L
S
HB2
GLU
V
152
R
-
CG2
THR
A
522
L
S
HB3
GLU
V
152
R
-
CG2
THR
A
522
L
S
HG2
GLU
V
152
R
-
CG2
THR
A
522
L
S
HG3
GLU
V
152
R
-
OG1
THR
A
522
L
H
CG
PHE
V
136
R
-
OG1
THR
A
522
L
H
CD2
PHE
V
136
R
-
OG1
THR
A
522
L
H
CE1
PHE
V
136
R
-
OG1
THR
A
522
L
H
CE2
PHE
V
136
R
-
OG1
THR
A
522
L
H
CZ
PHE
V
136
R
-
OG1
THR
A
522
L
H
HD2
PHE
V
136
R
-
OG1
THR
A
522
L
H
HE2
PHE
V
136
R
-
OG1
THR
A
522
L
H
HZ
PHE
V
136
R
-
OG1
THR
A
522
L
S
CG
LEU
V
150
R
-
OG1
THR
A
522
L
S
CD1
LEU
V
150
R
-
OG1
THR
A
522
L
S
CD2
LEU
V
150
R
-
OG1
THR
A
522
L
S
HB3
LEU
V
150
R
-
OG1
THR
A
522
L
S
HG
LEU
V
150
R
-
OG1
THR
A
522
L
S
HD13
LEU
V
150
R
-
OG1
THR
A
522
L
S
HD21
LEU
V
150
R
-
OG1
THR
A
522
L
S
HD22
LEU
V
150
R
-
OG1
THR
A
522
L
S
HD23
LEU
V
150
R
-
OG1
THR
A
522
L
S
HG3
GLU
V
152
R
-
N
LEU
A
523
L
S
H
GLU
V
152
R
-
N
LEU
A
523
L
S
HB2
GLU
V
152
R
-
CG
LEU
A
523
L
S
HB2
GLU
V
152
R
-
CD2
LEU
A
523
L
S
HB2
GLU
V
152
R
-
CD2
LEU
A
523
L
-
CD
GLN
V
159
R
-
CD2
LEU
A
523
L
-
NE2
GLN
V
159
R
-
CD2
LEU
A
523
L
-
HE21
GLN
V
159
R
-
CD2
LEU
A
523
L
-
HE22
GLN
V
159
R
-
O
ASP
A
524
L
S
HE1
PHE
V
151
R
-
O
ASP
A
524
L
-
HG
SER
V
160
R
-
O
ASP
A
524
L
H
OE2
GLU
V
163
R
-
CA
LEU
A
525
L
H
CD
GLU
V
163
R
-
CA
LEU
A
525
L
H
OE1
GLU
V
163
R
-
CA
LEU
A
525
L
H
OE2
GLU
V
163
R
-
CB
LEU
A
525
L
H
CD
GLU
V
163
R
-
CB
LEU
A
525
L
H
OE1
GLU
V
163
R
-
CG
LEU
A
525
L
H
OE1
GLU
V
163
R
-
CD2
LEU
A
525
L
-
HG
SER
V
160
R
-
CD2
LEU
A
525
L
H
CD
GLU
V
163
R
-
CD2
LEU
A
525
L
H
OE1
GLU
V
163
R
-
CD2
LEU
A
525
L
H
OE2
GLU
V
163
R
-
N
THR
A
526
L
H
CG
GLU
V
163
R
-
N
THR
A
526
L
H
CD
GLU
V
163
R
-
N
THR
A
526
L
H
OE1
GLU
V
163
R
-
N
THR
A
526
L
H
HB3
GLU
V
163
R
-
N
THR
A
526
L
H
HG2
GLU
V
163
R
-
CA
THR
A
526
L
H
HG2
GLU
V
163
R
-
C
THR
A
526
L
H
HG2
GLU
V
163
R
-
CB
THR
A
526
L
H
HA
GLU
V
163
R
-
CB
THR
A
526
L
H
HB3
GLU
V
163
R
-
CB
THR
A
526
L
H
HG2
GLU
V
163
R
-
O
THR
A
526
L
H
HG2
GLU
V
163
R
-
CG2
THR
A
526
L
H
HG2
GLN
V
166
R
-
CG2
THR
A
526
L
H
HG3
GLN
V
166
R
-
CG2
THR
A
526
L
H
OE2
GLU
V
170
R
-
OG1
THR
A
526
L
S
HE1
PHE
V
151
R
-
OG1
THR
A
526
L
H
HB3
GLU
V
163
R
-
OG1
THR
A
526
L
H
HB2
LYS
V
167
R
-
OG1
THR
A
526
L
H
HD2
LYS
V
167
R
-
CG2
THR
A
541
L
H
HH12
ARG
V
129
R
-
CG2
THR
A
541
L
H
HH22
ARG
V
129
R
-
CE
LYS
A
542
L
H
HD1
PHE
V
136
R
-
NZ
LYS
A
542
L
H
HD1
PHE
V
136
R
-
NZ
LYS
A
542
L
H
HB3
HIS
V
137
R
-
CB
HIS
A
555
L
-
HA
GLN
V
159
R
-
CB
HIS
A
555
L
-
H
SER
V
160
R
-
CG
HIS
A
555
L
-
HA
GLN
V
159
R
-
CG
HIS
A
555
L
-
H
SER
V
160
R
-
CD2
HIS
A
555
L
-
H
SER
V
160
R
-
ND1
HIS
A
555
L
-
C
GLY
V
158
R
-
ND1
HIS
A
555
L
-
O
GLY
V
158
R
-
ND1
HIS
A
555
L
-
N
GLN
V
159
R
-
ND1
HIS
A
555
L
-
CA
GLN
V
159
R
-
ND1
HIS
A
555
L
-
HA
GLN
V
159
R
-
ND1
HIS
A
555
L
-
H
SER
V
160
R
-
CE1
HIS
A
555
L
-
CA
GLY
V
158
R
-
CE1
HIS
A
555
L
-
C
GLY
V
158
R
-
CE1
HIS
A
555
L
-
O
GLY
V
158
R
-
CE1
HIS
A
555
L
-
HA3
GLY
V
158
R
-
CE1
HIS
A
555
L
-
N
GLN
V
159
R
-
CE1
HIS
A
555
L
-
CA
GLN
V
159
R
-
CE1
HIS
A
555
L
-
HA
GLN
V
159
R
-
CE1
HIS
A
555
L
-
H
SER
V
160
R
-
NE2
HIS
A
555
L
-
O
GLY
V
158
R
S
C
ARG
A
556
L
-
HE21
GLN
V
159
R
S
O
ARG
A
556
L
-
NE2
GLN
V
159
R
S
O
ARG
A
556
L
-
HG3
GLN
V
159
R
S
O
ARG
A
556
L
-
HE21
GLN
V
159