A1IGU5_Q96E17.10
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
GLU
A
285
L
H
THR
V
130
R
H
ASN
A
288
L
-
ASP
V
134
R
H
ASN
A
289
L
H
LYS
V
129
R
H
ASN
A
289
L
H
THR
V
130
R
H
ALA
A
291
L
-
ASP
V
134
R
H
ALA
A
292
L
H
LYS
V
129
R
H
ALA
A
292
L
-
ASP
V
134
R
H
TYR
A
293
L
H
LYS
V
129
R
H
TYR
A
293
L
H
GLN
V
164
R
H
TYR
A
293
L
H
LEU
V
165
R
H
ASP
A
295
L
-
ASP
V
134
R
H
ASP
A
295
L
-
ASN
V
135
R
H
ASP
A
295
L
S
GLN
V
137
R
H
ASP
A
295
L
H
LYS
V
194
R
H
ASN
A
296
L
-
ALA
V
136
R
H
ASN
A
296
L
S
GLN
V
137
R
H
ASN
A
296
L
S
VAL
V
138
R
H
ASN
A
296
L
-
GLY
V
166
R
H
ASN
A
296
L
-
PHE
V
167
R
H
LEU
A
297
L
-
GLY
V
166
R
H
GLN
A
298
L
H
LYS
V
194
R
H
ALA
A
299
L
S
GLN
V
137
R
H
ALA
A
299
L
S
GLU
V
168
R
H
ALA
A
299
L
H
ARG
V
186
R
H
ALA
A
299
L
H
ILE
V
190
R
H
PHE
A
300
L
H
GLU
V
163
R
H
PHE
A
300
L
-
GLY
V
166
R
H
PHE
A
300
L
-
PHE
V
167
R
H
PHE
A
300
L
S
GLU
V
168
R
H
TYR
A
302
L
H
ARG
V
186
R
H
TYR
A
302
L
H
ASP
V
193
R
-
PHE
A
303
L
S
GLU
V
168
R
-
PHE
A
303
L
H
ARG
V
186
R
H
TYR
A
320
L
H
GLN
V
159
R
H
LEU
A
327
L
H
GLU
V
163
R
H
PHE
A
332
L
H
GLU
V
163
R
H
GLN
A
428
L
H
GLN
V
164
R
H
LEU
A
431
L
H
GLN
V
164
R
H
ALA
A
432
L
H
HIS
V
160
R
H
ALA
A
432
L
H
GLN
V
164
R
H
VAL
A
435
L
H
HIS
V
160
R
H
VAL
A
435
L
H
GLU
V
163
R
H
LEU
A
436
L
H
HIS
V
160
R
H
ARG
A
457
L
H
GLU
V
148
R
H
ARG
A
457
L
H
ASP
V
149
R
H
GLU
A
461
L
H
ASP
V
149
R
-
GLY
A
519
L
H
ARG
V
49
R
-
THR
A
520
L
-
LYS
V
175
R
-
THR
A
520
L
-
ASP
V
176
R
-
GLY
A
521
L
H
ARG
V
49
R
-
GLY
A
521
L
-
PHE
V
55
R
-
THR
A
522
L
-
PHE
V
55
R
-
THR
A
522
L
-
THR
V
56
R
-
THR
A
522
L
-
SER
V
57
R
-
THR
A
522
L
-
ALA
V
58
R
-
LEU
A
523
L
-
SER
V
54
R
-
LEU
A
523
L
-
PHE
V
55
R
-
LEU
A
523
L
-
THR
V
56
R
-
ASP
A
524
L
H
ARG
V
49
R
-
ASP
A
524
L
-
ASP
V
53
R
-
ASP
A
524
L
-
SER
V
54
R
-
ASP
A
524
L
-
PHE
V
55
R
-
THR
A
526
L
-
ASP
V
53
R
-
HIS
A
555
L
H
ASP
V
52
A1IGU5_Q96E17.10
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
CG
GLU
A
285
L
H
HG22
THR
V
130
R
H
CD
GLU
A
285
L
H
O
THR
V
130
R
H
CD
GLU
A
285
L
H
HA
THR
V
130
R
H
CD
GLU
A
285
L
H
HG22
THR
V
130
R
H
OE1
GLU
A
285
L
H
CA
THR
V
130
R
H
OE1
GLU
A
285
L
H
C
THR
V
130
R
H
OE1
GLU
A
285
L
H
CB
THR
V
130
R
H
OE1
GLU
A
285
L
H
O
THR
V
130
R
H
OE1
GLU
A
285
L
H
CG2
THR
V
130
R
H
OE1
GLU
A
285
L
H
HA
THR
V
130
R
H
OE1
GLU
A
285
L
H
HG22
THR
V
130
R
H
OE1
GLU
A
285
L
H
HG23
THR
V
130
R
H
CA
ASN
A
288
L
-
CG
ASP
V
134
R
H
CA
ASN
A
288
L
-
OD1
ASP
V
134
R
H
CA
ASN
A
288
L
-
OD2
ASP
V
134
R
H
C
ASN
A
288
L
-
CG
ASP
V
134
R
H
C
ASN
A
288
L
-
OD1
ASP
V
134
R
H
CB
ASN
A
288
L
-
OD1
ASP
V
134
R
H
CB
ASN
A
288
L
-
OD2
ASP
V
134
R
H
O
ASN
A
288
L
-
CB
ASP
V
134
R
H
O
ASN
A
288
L
-
CG
ASP
V
134
R
H
O
ASN
A
288
L
-
OD1
ASP
V
134
R
H
O
ASN
A
288
L
-
OD2
ASP
V
134
R
H
O
ASN
A
288
L
-
HA
ASP
V
134
R
H
O
ASN
A
288
L
-
HB3
ASP
V
134
R
H
OD1
ASN
A
288
L
-
OD2
ASP
V
134
R
H
CA
ASN
A
289
L
H
O
LYS
V
129
R
H
CA
ASN
A
289
L
H
HB3
LYS
V
129
R
H
C
ASN
A
289
L
H
HB3
LYS
V
129
R
H
CB
ASN
A
289
L
H
O
LYS
V
129
R
H
CB
ASN
A
289
L
H
HB3
LYS
V
129
R
H
O
ASN
A
289
L
H
HB3
LYS
V
129
R
H
O
ASN
A
289
L
H
HG2
LYS
V
129
R
H
O
ASN
A
289
L
H
HD2
LYS
V
129
R
H
CG
ASN
A
289
L
H
C
LYS
V
129
R
H
CG
ASN
A
289
L
H
O
LYS
V
129
R
H
CG
ASN
A
289
L
H
HB3
LYS
V
129
R
H
CG
ASN
A
289
L
H
N
THR
V
130
R
H
CG
ASN
A
289
L
H
CA
THR
V
130
R
H
CG
ASN
A
289
L
H
HA
THR
V
130
R
H
ND2
ASN
A
289
L
H
O
LYS
V
129
R
H
ND2
ASN
A
289
L
H
CA
THR
V
130
R
H
ND2
ASN
A
289
L
H
OG1
THR
V
130
R
H
ND2
ASN
A
289
L
H
HA
THR
V
130
R
H
ND2
ASN
A
289
L
H
HG22
THR
V
130
R
H
OD1
ASN
A
289
L
H
CA
LYS
V
129
R
H
OD1
ASN
A
289
L
H
C
LYS
V
129
R
H
OD1
ASN
A
289
L
H
CB
LYS
V
129
R
H
OD1
ASN
A
289
L
H
O
LYS
V
129
R
H
OD1
ASN
A
289
L
H
HA
LYS
V
129
R
H
OD1
ASN
A
289
L
H
HB2
LYS
V
129
R
H
OD1
ASN
A
289
L
H
HB3
LYS
V
129
R
H
OD1
ASN
A
289
L
H
N
THR
V
130
R
H
OD1
ASN
A
289
L
H
CA
THR
V
130
R
H
OD1
ASN
A
289
L
H
C
THR
V
130
R
H
OD1
ASN
A
289
L
H
H
THR
V
130
R
H
OD1
ASN
A
289
L
H
HA
THR
V
130
R
H
CA
ALA
A
291
L
-
HB3
ASP
V
134
R
H
C
ALA
A
291
L
-
CB
ASP
V
134
R
H
C
ALA
A
291
L
-
HB3
ASP
V
134
R
H
CB
ALA
A
291
L
-
CB
ASP
V
134
R
H
CB
ALA
A
291
L
-
CG
ASP
V
134
R
H
CB
ALA
A
291
L
-
OD1
ASP
V
134
R
H
CB
ALA
A
291
L
-
OD2
ASP
V
134
R
H
CB
ALA
A
291
L
-
HB3
ASP
V
134
R
H
O
ALA
A
291
L
-
O
ASP
V
134
R
H
O
ALA
A
291
L
-
HB3
ASP
V
134
R
H
N
ALA
A
292
L
-
CA
ASP
V
134
R
H
N
ALA
A
292
L
-
CB
ASP
V
134
R
H
N
ALA
A
292
L
-
O
ASP
V
134
R
H
N
ALA
A
292
L
-
CG
ASP
V
134
R
H
N
ALA
A
292
L
-
OD1
ASP
V
134
R
H
N
ALA
A
292
L
-
HA
ASP
V
134
R
H
N
ALA
A
292
L
-
HB3
ASP
V
134
R
H
CA
ALA
A
292
L
-
CA
ASP
V
134
R
H
CA
ALA
A
292
L
-
C
ASP
V
134
R
H
CA
ALA
A
292
L
-
CB
ASP
V
134
R
H
CA
ALA
A
292
L
-
O
ASP
V
134
R
H
CA
ALA
A
292
L
-
OD1
ASP
V
134
R
H
CA
ALA
A
292
L
-
HA
ASP
V
134
R
H
CA
ALA
A
292
L
-
HB3
ASP
V
134
R
H
C
ALA
A
292
L
-
O
ASP
V
134
R
H
C
ALA
A
292
L
-
HA
ASP
V
134
R
H
CB
ALA
A
292
L
H
HA
LYS
V
129
R
H
CB
ALA
A
292
L
H
HG2
LYS
V
129
R
H
CB
ALA
A
292
L
-
N
ASP
V
134
R
H
CB
ALA
A
292
L
-
CA
ASP
V
134
R
H
CB
ALA
A
292
L
-
C
ASP
V
134
R
H
CB
ALA
A
292
L
-
CB
ASP
V
134
R
H
CB
ALA
A
292
L
-
O
ASP
V
134
R
H
CB
ALA
A
292
L
-
CG
ASP
V
134
R
H
CB
ALA
A
292
L
-
OD1
ASP
V
134
R
H
CB
ALA
A
292
L
-
HA
ASP
V
134
R
H
CB
ALA
A
292
L
-
HB3
ASP
V
134
R
H
O
ALA
A
292
L
-
O
ASP
V
134
R
H
N
TYR
A
293
L
H
HG2
LYS
V
129
R
H
N
TYR
A
293
L
H
HE2
LYS
V
129
R
H
CA
TYR
A
293
L
H
HG2
LYS
V
129
R
H
CA
TYR
A
293
L
H
HE2
LYS
V
129
R
H
CB
TYR
A
293
L
H
CE
LYS
V
129
R
H
CB
TYR
A
293
L
H
NZ
LYS
V
129
R
H
CB
TYR
A
293
L
H
HD2
LYS
V
129
R
H
CB
TYR
A
293
L
H
HE2
LYS
V
129
R
H
CB
TYR
A
293
L
H
HZ2
LYS
V
129
R
H
CG
TYR
A
293
L
H
CE
LYS
V
129
R
H
CG
TYR
A
293
L
H
NZ
LYS
V
129
R
H
CG
TYR
A
293
L
H
HD2
LYS
V
129
R
H
CG
TYR
A
293
L
H
HE2
LYS
V
129
R
H
CG
TYR
A
293
L
H
HZ1
LYS
V
129
R
H
CG
TYR
A
293
L
H
HZ2
LYS
V
129
R
H
CD1
TYR
A
293
L
H
HZ2
LYS
V
129
R
H
CD2
TYR
A
293
L
H
CD
LYS
V
129
R
H
CD2
TYR
A
293
L
H
CE
LYS
V
129
R
H
CD2
TYR
A
293
L
H
NZ
LYS
V
129
R
H
CD2
TYR
A
293
L
H
HD2
LYS
V
129
R
H
CD2
TYR
A
293
L
H
HE2
LYS
V
129
R
H
CD2
TYR
A
293
L
H
HE3
LYS
V
129
R
H
CD2
TYR
A
293
L
H
HZ1
LYS
V
129
R
H
CD2
TYR
A
293
L
H
HZ2
LYS
V
129
R
H
CD2
TYR
A
293
L
H
HZ3
LYS
V
129
R
H
CE2
TYR
A
293
L
H
CE
LYS
V
129
R
H
CE2
TYR
A
293
L
H
NZ
LYS
V
129
R
H
CE2
TYR
A
293
L
H
HE2
LYS
V
129
R
H
CE2
TYR
A
293
L
H
HZ1
LYS
V
129
R
H
CE2
TYR
A
293
L
H
HZ2
LYS
V
129
R
H
CE2
TYR
A
293
L
H
HZ3
LYS
V
129
R
H
CE2
TYR
A
293
L
H
O
LEU
V
165
R
H
CE2
TYR
A
293
L
H
HA
LEU
V
165
R
H
OH
TYR
A
293
L
H
C
GLN
V
164
R
H
OH
TYR
A
293
L
H
O
GLN
V
164
R
H
OH
TYR
A
293
L
H
HA
LEU
V
165
R
H
CZ
TYR
A
293
L
H
NZ
LYS
V
129
R
H
CZ
TYR
A
293
L
H
HZ1
LYS
V
129
R
H
CZ
TYR
A
293
L
H
HZ2
LYS
V
129
R
H
CZ
TYR
A
293
L
H
O
GLN
V
164
R
H
CZ
TYR
A
293
L
H
HA
LEU
V
165
R
H
C
ASP
A
295
L
S
HE22
GLN
V
137
R
H
CB
ASP
A
295
L
-
C
ASP
V
134
R
H
CB
ASP
A
295
L
-
O
ASP
V
134
R
H
CB
ASP
A
295
L
-
OD1
ASN
V
135
R
H
CB
ASP
A
295
L
-
HA
ASN
V
135
R
H
CB
ASP
A
295
L
S
HE22
GLN
V
137
R
H
CB
ASP
A
295
L
H
HE2
LYS
V
194
R
H
O
ASP
A
295
L
S
HE22
GLN
V
137
R
H
CG
ASP
A
295
L
-
C
ASP
V
134
R
H
CG
ASP
A
295
L
-
O
ASP
V
134
R
H
CG
ASP
A
295
L
-
HB3
ASP
V
134
R
H
CG
ASP
A
295
L
-
OD1
ASN
V
135
R
H
CG
ASP
A
295
L
-
HA
ASN
V
135
R
H
CG
ASP
A
295
L
H
HE2
LYS
V
194
R
H
OD1
ASP
A
295
L
-
OD1
ASN
V
135
R
H
OD1
ASP
A
295
L
H
HE2
LYS
V
194
R
H
OD1
ASP
A
295
L
H
HZ3
LYS
V
194
R
H
OD2
ASP
A
295
L
-
CA
ASP
V
134
R
H
OD2
ASP
A
295
L
-
C
ASP
V
134
R
H
OD2
ASP
A
295
L
-
CB
ASP
V
134
R
H
OD2
ASP
A
295
L
-
O
ASP
V
134
R
H
OD2
ASP
A
295
L
-
HB2
ASP
V
134
R
H
OD2
ASP
A
295
L
-
HB3
ASP
V
134
R
H
OD2
ASP
A
295
L
-
N
ASN
V
135
R
H
OD2
ASP
A
295
L
-
CA
ASN
V
135
R
H
OD2
ASP
A
295
L
-
CB
ASN
V
135
R
H
OD2
ASP
A
295
L
-
CG
ASN
V
135
R
H
OD2
ASP
A
295
L
-
OD1
ASN
V
135
R
H
OD2
ASP
A
295
L
-
HA
ASN
V
135
R
H
OD2
ASP
A
295
L
H
HE2
LYS
V
194
R
H
C
ASN
A
296
L
-
O
GLY
V
166
R
H
C
ASN
A
296
L
-
HA3
GLY
V
166
R
H
CB
ASN
A
296
L
-
CE1
PHE
V
167
R
H
CB
ASN
A
296
L
-
HD1
PHE
V
167
R
H
CB
ASN
A
296
L
-
HE1
PHE
V
167
R
H
O
ASN
A
296
L
-
C
GLY
V
166
R
H
O
ASN
A
296
L
-
O
GLY
V
166
R
H
O
ASN
A
296
L
-
HA3
GLY
V
166
R
H
O
ASN
A
296
L
-
HD1
PHE
V
167
R
H
CG
ASN
A
296
L
-
O
ALA
V
136
R
H
CG
ASN
A
296
L
S
CG2
VAL
V
138
R
H
CG
ASN
A
296
L
S
HG21
VAL
V
138
R
H
CG
ASN
A
296
L
S
HG22
VAL
V
138
R
H
CG
ASN
A
296
L
-
CE1
PHE
V
167
R
H
CG
ASN
A
296
L
-
HE1
PHE
V
167
R
H
ND2
ASN
A
296
L
-
O
ALA
V
136
R
H
ND2
ASN
A
296
L
S
CG2
VAL
V
138
R
H
ND2
ASN
A
296
L
S
HG21
VAL
V
138
R
H
ND2
ASN
A
296
L
S
HG22
VAL
V
138
R
H
ND2
ASN
A
296
L
-
CE1
PHE
V
167
R
H
ND2
ASN
A
296
L
-
HE1
PHE
V
167
R
H
OD1
ASN
A
296
L
-
C
ALA
V
136
R
H
OD1
ASN
A
296
L
-
O
ALA
V
136
R
H
OD1
ASN
A
296
L
S
N
GLN
V
137
R
H
OD1
ASN
A
296
L
S
CA
GLN
V
137
R
H
OD1
ASN
A
296
L
S
HA
GLN
V
137
R
H
OD1
ASN
A
296
L
S
N
VAL
V
138
R
H
OD1
ASN
A
296
L
S
CG2
VAL
V
138
R
H
OD1
ASN
A
296
L
S
H
VAL
V
138
R
H
OD1
ASN
A
296
L
S
HG21
VAL
V
138
R
H
OD1
ASN
A
296
L
S
HG22
VAL
V
138
R
H
OD1
ASN
A
296
L
-
HE1
PHE
V
167
R
H
N
LEU
A
297
L
-
O
GLY
V
166
R
H
N
LEU
A
297
L
-
HA3
GLY
V
166
R
H
CA
LEU
A
297
L
-
CA
GLY
V
166
R
H
CA
LEU
A
297
L
-
O
GLY
V
166
R
H
CA
LEU
A
297
L
-
HA2
GLY
V
166
R
H
CA
LEU
A
297
L
-
HA3
GLY
V
166
R
H
CB
LEU
A
297
L
-
HA3
GLY
V
166
R
H
CG
LEU
A
297
L
-
HA3
GLY
V
166
R
H
CD1
LEU
A
297
L
-
CA
GLY
V
166
R
H
CD1
LEU
A
297
L
-
HA2
GLY
V
166
R
H
CD1
LEU
A
297
L
-
HA3
GLY
V
166
R
H
CB
GLN
A
298
L
H
HZ3
LYS
V
194
R
H
CG
GLN
A
298
L
H
HZ1
LYS
V
194
R
H
CG
GLN
A
298
L
H
HZ3
LYS
V
194
R
H
CA
ALA
A
299
L
S
OE1
GLN
V
137
R
H
CA
ALA
A
299
L
H
HG22
ILE
V
190
R
H
CA
ALA
A
299
L
H
HG23
ILE
V
190
R
H
C
ALA
A
299
L
H
HG22
ILE
V
190
R
H
CB
ALA
A
299
L
S
CD
GLN
V
137
R
H
CB
ALA
A
299
L
S
OE1
GLN
V
137
R
H
CB
ALA
A
299
L
S
HE22
GLN
V
137
R
H
CB
ALA
A
299
L
H
CG2
ILE
V
190
R
H
CB
ALA
A
299
L
H
HG21
ILE
V
190
R
H
CB
ALA
A
299
L
H
HG22
ILE
V
190
R
H
CB
ALA
A
299
L
H
HG23
ILE
V
190
R
H
O
ALA
A
299
L
S
OE1
GLU
V
168
R
H
O
ALA
A
299
L
S
HG3
GLU
V
168
R
H
O
ALA
A
299
L
H
HH21
ARG
V
186
R
H
O
ALA
A
299
L
H
HG12
ILE
V
190
R
H
O
ALA
A
299
L
H
HG22
ILE
V
190
R
H
N
PHE
A
300
L
-
O
GLY
V
166
R
H
N
PHE
A
300
L
S
HG3
GLU
V
168
R
H
CA
PHE
A
300
L
-
O
GLY
V
166
R
H
CA
PHE
A
300
L
S
HG3
GLU
V
168
R
H
CB
PHE
A
300
L
-
CA
GLY
V
166
R
H
CB
PHE
A
300
L
-
C
GLY
V
166
R
H
CB
PHE
A
300
L
-
O
GLY
V
166
R
H
CB
PHE
A
300
L
-
HA2
GLY
V
166
R
H
CB
PHE
A
300
L
-
HA3
GLY
V
166
R
H
CB
PHE
A
300
L
-
N
PHE
V
167
R
H
CB
PHE
A
300
L
-
HA
PHE
V
167
R
H
CB
PHE
A
300
L
S
HG3
GLU
V
168
R
H
O
PHE
A
300
L
S
HG2
GLU
V
168
R
H
O
PHE
A
300
L
S
HG3
GLU
V
168
R
H
CG
PHE
A
300
L
H
HA
GLU
V
163
R
H
CG
PHE
A
300
L
-
CA
GLY
V
166
R
H
CG
PHE
A
300
L
-
C
GLY
V
166
R
H
CG
PHE
A
300
L
-
O
GLY
V
166
R
H
CG
PHE
A
300
L
-
HA2
GLY
V
166
R
H
CG
PHE
A
300
L
-
N
PHE
V
167
R
H
CG
PHE
A
300
L
-
C
PHE
V
167
R
H
CG
PHE
A
300
L
-
O
PHE
V
167
R
H
CD1
PHE
A
300
L
H
HA
GLU
V
163
R
H
CD1
PHE
A
300
L
-
CA
GLY
V
166
R
H
CD1
PHE
A
300
L
-
HA2
GLY
V
166
R
H
CD2
PHE
A
300
L
H
HA
GLU
V
163
R
H
CD2
PHE
A
300
L
-
C
GLY
V
166
R
H
CD2
PHE
A
300
L
-
HA2
GLY
V
166
R
H
CD2
PHE
A
300
L
-
N
PHE
V
167
R
H
CD2
PHE
A
300
L
-
CA
PHE
V
167
R
H
CD2
PHE
A
300
L
-
C
PHE
V
167
R
H
CD2
PHE
A
300
L
-
O
PHE
V
167
R
H
CD2
PHE
A
300
L
-
H
PHE
V
167
R
H
CD2
PHE
A
300
L
S
N
GLU
V
168
R
H
CD2
PHE
A
300
L
S
CA
GLU
V
168
R
H
CD2
PHE
A
300
L
S
H
GLU
V
168
R
H
CD2
PHE
A
300
L
S
HA
GLU
V
168
R
H
CD2
PHE
A
300
L
S
HG2
GLU
V
168
R
H
CD2
PHE
A
300
L
S
HG3
GLU
V
168
R
H
CE1
PHE
A
300
L
H
CA
GLU
V
163
R
H
CE1
PHE
A
300
L
H
HA
GLU
V
163
R
H
CE1
PHE
A
300
L
H
HG2
GLU
V
163
R
H
CE1
PHE
A
300
L
-
HA2
GLY
V
166
R
H
CE2
PHE
A
300
L
H
CA
GLU
V
163
R
H
CE2
PHE
A
300
L
H
HA
GLU
V
163
R
H
CE2
PHE
A
300
L
H
HG2
GLU
V
163
R
H
CE2
PHE
A
300
L
H
HG3
GLU
V
163
R
H
CE2
PHE
A
300
L
-
C
PHE
V
167
R
H
CE2
PHE
A
300
L
-
O
PHE
V
167
R
H
CE2
PHE
A
300
L
S
HA
GLU
V
168
R
H
CZ
PHE
A
300
L
H
CA
GLU
V
163
R
H
CZ
PHE
A
300
L
H
CB
GLU
V
163
R
H
CZ
PHE
A
300
L
H
CG
GLU
V
163
R
H
CZ
PHE
A
300
L
H
HA
GLU
V
163
R
H
CZ
PHE
A
300
L
H
HG2
GLU
V
163
R
H
CZ
PHE
A
300
L
H
HG3
GLU
V
163
R
H
C
TYR
A
302
L
H
NH2
ARG
V
186
R
H
C
TYR
A
302
L
H
HH21
ARG
V
186
R
H
C
TYR
A
302
L
H
HH22
ARG
V
186
R
H
O
TYR
A
302
L
H
HH22
ARG
V
186
R
H
CG
TYR
A
302
L
H
HH22
ARG
V
186
R
H
CD1
TYR
A
302
L
H
NH2
ARG
V
186
R
H
CD1
TYR
A
302
L
H
HH12
ARG
V
186
R
H
CD1
TYR
A
302
L
H
HH22
ARG
V
186
R
H
CD1
TYR
A
302
L
H
OD2
ASP
V
193
R
H
CE1
TYR
A
302
L
H
HH12
ARG
V
186
R
H
CE1
TYR
A
302
L
H
HH22
ARG
V
186
R
H
CE1
TYR
A
302
L
H
CB
ASP
V
193
R
H
CE1
TYR
A
302
L
H
CG
ASP
V
193
R
H
CE1
TYR
A
302
L
H
OD2
ASP
V
193
R
H
CE1
TYR
A
302
L
H
HB3
ASP
V
193
R
H
CE2
TYR
A
302
L
H
HB3
ASP
V
193
R
H
OH
TYR
A
302
L
H
CG
ASP
V
193
R
H
OH
TYR
A
302
L
H
OD2
ASP
V
193
R
H
OH
TYR
A
302
L
H
HB3
ASP
V
193
R
H
CZ
TYR
A
302
L
H
CG
ASP
V
193
R
H
CZ
TYR
A
302
L
H
OD2
ASP
V
193
R
H
CZ
TYR
A
302
L
H
HB3
ASP
V
193
R
-
N
PHE
A
303
L
S
OE1
GLU
V
168
R
-
N
PHE
A
303
L
H
NH2
ARG
V
186
R
-
N
PHE
A
303
L
H
HH21
ARG
V
186
R
-
N
PHE
A
303
L
H
HH22
ARG
V
186
R
-
CA
PHE
A
303
L
S
OE1
GLU
V
168
R
-
CA
PHE
A
303
L
H
NH2
ARG
V
186
R
-
CA
PHE
A
303
L
H
HH21
ARG
V
186
R
-
CA
PHE
A
303
L
H
HH22
ARG
V
186
R
-
C
PHE
A
303
L
H
HH21
ARG
V
186
R
-
CB
PHE
A
303
L
S
CG
GLU
V
168
R
-
CB
PHE
A
303
L
S
CD
GLU
V
168
R
-
CB
PHE
A
303
L
S
OE1
GLU
V
168
R
-
CB
PHE
A
303
L
S
OE2
GLU
V
168
R
-
CB
PHE
A
303
L
S
HG2
GLU
V
168
R
-
CB
PHE
A
303
L
S
HG3
GLU
V
168
R
-
CB
PHE
A
303
L
H
NE
ARG
V
186
R
-
CB
PHE
A
303
L
H
NH2
ARG
V
186
R
-
CB
PHE
A
303
L
H
CZ
ARG
V
186
R
-
CB
PHE
A
303
L
H
HE
ARG
V
186
R
-
CB
PHE
A
303
L
H
HH21
ARG
V
186
R
-
CB
PHE
A
303
L
H
HH22
ARG
V
186
R
-
CG
PHE
A
303
L
S
CG
GLU
V
168
R
-
CG
PHE
A
303
L
S
CD
GLU
V
168
R
-
CG
PHE
A
303
L
S
OE1
GLU
V
168
R
-
CG
PHE
A
303
L
S
OE2
GLU
V
168
R
-
CG
PHE
A
303
L
S
HG2
GLU
V
168
R
-
CG
PHE
A
303
L
H
NE
ARG
V
186
R
-
CG
PHE
A
303
L
H
NH2
ARG
V
186
R
-
CG
PHE
A
303
L
H
CZ
ARG
V
186
R
-
CG
PHE
A
303
L
H
HE
ARG
V
186
R
-
CG
PHE
A
303
L
H
HH21
ARG
V
186
R
-
CG
PHE
A
303
L
H
HH22
ARG
V
186
R
-
CD1
PHE
A
303
L
S
CG
GLU
V
168
R
-
CD1
PHE
A
303
L
S
CD
GLU
V
168
R
-
CD1
PHE
A
303
L
S
OE1
GLU
V
168
R
-
CD1
PHE
A
303
L
S
OE2
GLU
V
168
R
-
CD1
PHE
A
303
L
S
HG2
GLU
V
168
R
-
CD1
PHE
A
303
L
H
HE
ARG
V
186
R
-
CD1
PHE
A
303
L
H
HH21
ARG
V
186
R
-
CD2
PHE
A
303
L
S
CD
GLU
V
168
R
-
CD2
PHE
A
303
L
S
OE1
GLU
V
168
R
-
CD2
PHE
A
303
L
S
OE2
GLU
V
168
R
-
CD2
PHE
A
303
L
H
CD
ARG
V
186
R
-
CD2
PHE
A
303
L
H
NE
ARG
V
186
R
-
CD2
PHE
A
303
L
H
NH1
ARG
V
186
R
-
CD2
PHE
A
303
L
H
NH2
ARG
V
186
R
-
CD2
PHE
A
303
L
H
CZ
ARG
V
186
R
-
CD2
PHE
A
303
L
H
HD2
ARG
V
186
R
-
CD2
PHE
A
303
L
H
HE
ARG
V
186
R
-
CD2
PHE
A
303
L
H
HH21
ARG
V
186
R
-
CD2
PHE
A
303
L
H
HH22
ARG
V
186
R
-
CE1
PHE
A
303
L
S
OE2
GLU
V
168
R
-
CE2
PHE
A
303
L
S
OE2
GLU
V
168
R
-
CE2
PHE
A
303
L
H
CD
ARG
V
186
R
-
CE2
PHE
A
303
L
H
NE
ARG
V
186
R
-
CE2
PHE
A
303
L
H
CZ
ARG
V
186
R
-
CE2
PHE
A
303
L
H
HD2
ARG
V
186
R
-
CE2
PHE
A
303
L
H
HE
ARG
V
186
R
-
CZ
PHE
A
303
L
S
OE2
GLU
V
168
R
-
CZ
PHE
A
303
L
H
HE
ARG
V
186
R
H
CE2
TYR
A
320
L
H
CD
GLN
V
159
R
H
CE2
TYR
A
320
L
H
NE2
GLN
V
159
R
H
CE2
TYR
A
320
L
H
OE1
GLN
V
159
R
H
CE2
TYR
A
320
L
H
HE22
GLN
V
159
R
H
OH
TYR
A
320
L
H
CG
GLN
V
159
R
H
OH
TYR
A
320
L
H
CD
GLN
V
159
R
H
OH
TYR
A
320
L
H
NE2
GLN
V
159
R
H
OH
TYR
A
320
L
H
OE1
GLN
V
159
R
H
OH
TYR
A
320
L
H
HG2
GLN
V
159
R
H
OH
TYR
A
320
L
H
HE21
GLN
V
159
R
H
OH
TYR
A
320
L
H
HE22
GLN
V
159
R
H
CZ
TYR
A
320
L
H
CD
GLN
V
159
R
H
CZ
TYR
A
320
L
H
NE2
GLN
V
159
R
H
CZ
TYR
A
320
L
H
OE1
GLN
V
159
R
H
CZ
TYR
A
320
L
H
HE22
GLN
V
159
R
H
CD1
LEU
A
327
L
H
OE1
GLU
V
163
R
H
CD1
LEU
A
327
L
H
OE2
GLU
V
163
R
H
CD1
PHE
A
332
L
H
O
GLU
V
163
R
H
CD1
PHE
A
332
L
H
HB3
GLU
V
163
R
H
CD2
PHE
A
332
L
H
HB3
GLU
V
163
R
H
CE1
PHE
A
332
L
H
CA
GLU
V
163
R
H
CE1
PHE
A
332
L
H
C
GLU
V
163
R
H
CE1
PHE
A
332
L
H
CB
GLU
V
163
R
H
CE1
PHE
A
332
L
H
O
GLU
V
163
R
H
CE1
PHE
A
332
L
H
HA
GLU
V
163
R
H
CE1
PHE
A
332
L
H
HB2
GLU
V
163
R
H
CE1
PHE
A
332
L
H
HB3
GLU
V
163
R
H
CE1
PHE
A
332
L
H
HG2
GLU
V
163
R
H
CE2
PHE
A
332
L
H
CB
GLU
V
163
R
H
CE2
PHE
A
332
L
H
CG
GLU
V
163
R
H
CE2
PHE
A
332
L
H
CD
GLU
V
163
R
H
CE2
PHE
A
332
L
H
OE2
GLU
V
163
R
H
CE2
PHE
A
332
L
H
HB3
GLU
V
163
R
H
CE2
PHE
A
332
L
H
HG2
GLU
V
163
R
H
CZ
PHE
A
332
L
H
CA
GLU
V
163
R
H
CZ
PHE
A
332
L
H
C
GLU
V
163
R
H
CZ
PHE
A
332
L
H
CB
GLU
V
163
R
H
CZ
PHE
A
332
L
H
O
GLU
V
163
R
H
CZ
PHE
A
332
L
H
CG
GLU
V
163
R
H
CZ
PHE
A
332
L
H
CD
GLU
V
163
R
H
CZ
PHE
A
332
L
H
OE2
GLU
V
163
R
H
CZ
PHE
A
332
L
H
HA
GLU
V
163
R
H
CZ
PHE
A
332
L
H
HB2
GLU
V
163
R
H
CZ
PHE
A
332
L
H
HB3
GLU
V
163
R
H
CZ
PHE
A
332
L
H
HG2
GLU
V
163
R
H
OE1
GLN
A
428
L
H
O
GLN
V
164
R
H
OE1
GLN
A
428
L
H
HB3
GLN
V
164
R
H
CD2
LEU
A
431
L
H
HA
GLN
V
164
R
H
N
ALA
A
432
L
H
HE21
GLN
V
164
R
H
CA
ALA
A
432
L
H
HE1
HIS
V
160
R
H
CA
ALA
A
432
L
H
NE2
GLN
V
164
R
H
CA
ALA
A
432
L
H
HE21
GLN
V
164
R
H
CB
ALA
A
432
L
H
NE2
GLN
V
164
R
H
CB
ALA
A
432
L
H
HE21
GLN
V
164
R
H
CB
ALA
A
432
L
H
HE22
GLN
V
164
R
H
O
ALA
A
432
L
H
HE1
HIS
V
160
R
H
CA
VAL
A
435
L
H
HE1
HIS
V
160
R
H
C
VAL
A
435
L
H
HE1
HIS
V
160
R
H
CB
VAL
A
435
L
H
ND1
HIS
V
160
R
H
CB
VAL
A
435
L
H
CE1
HIS
V
160
R
H
CB
VAL
A
435
L
H
HE1
HIS
V
160
R
H
CB
VAL
A
435
L
H
HD1
HIS
V
160
R
H
CG1
VAL
A
435
L
H
ND1
HIS
V
160
R
H
CG1
VAL
A
435
L
H
CE1
HIS
V
160
R
H
CG1
VAL
A
435
L
H
HE1
HIS
V
160
R
H
CG1
VAL
A
435
L
H
HD1
HIS
V
160
R
H
CG1
VAL
A
435
L
H
OE2
GLU
V
163
R
H
CG2
VAL
A
435
L
H
CE1
HIS
V
160
R
H
CG2
VAL
A
435
L
H
HE1
HIS
V
160
R
H
N
LEU
A
436
L
H
HE1
HIS
V
160
R
H
NE
ARG
A
457
L
H
HA
ASP
V
149
R
H
NH2
ARG
A
457
L
H
O
GLU
V
148
R
H
NH2
ARG
A
457
L
H
CA
ASP
V
149
R
H
NH2
ARG
A
457
L
H
C
ASP
V
149
R
H
NH2
ARG
A
457
L
H
CB
ASP
V
149
R
H
NH2
ARG
A
457
L
H
O
ASP
V
149
R
H
NH2
ARG
A
457
L
H
HA
ASP
V
149
R
H
NH2
ARG
A
457
L
H
HB3
ASP
V
149
R
H
CZ
ARG
A
457
L
H
O
ASP
V
149
R
H
CZ
ARG
A
457
L
H
HA
ASP
V
149
R
H
CD
GLU
A
461
L
H
OD1
ASP
V
149
R
H
OE1
GLU
A
461
L
H
OD1
ASP
V
149
R
H
OE1
GLU
A
461
L
H
HA
ASP
V
149
R
-
C
GLY
A
519
L
H
HH22
ARG
V
49
R
-
O
GLY
A
519
L
H
NH2
ARG
V
49
R
-
O
GLY
A
519
L
H
HH22
ARG
V
49
R
-
C
THR
A
520
L
-
HG2
LYS
V
175
R
-
O
THR
A
520
L
-
C
LYS
V
175
R
-
O
THR
A
520
L
-
O
LYS
V
175
R
-
O
THR
A
520
L
-
CG
LYS
V
175
R
-
O
THR
A
520
L
-
HG2
LYS
V
175
R
-
O
THR
A
520
L
-
HG3
LYS
V
175
R
-
O
THR
A
520
L
-
HE2
LYS
V
175
R
-
O
THR
A
520
L
-
OD1
ASP
V
176
R
-
CA
GLY
A
521
L
-
HD1
PHE
V
55
R
-
C
GLY
A
521
L
-
O
PHE
V
55
R
-
C
GLY
A
521
L
-
CD1
PHE
V
55
R
-
C
GLY
A
521
L
-
HB2
PHE
V
55
R
-
C
GLY
A
521
L
-
HD1
PHE
V
55
R
-
O
GLY
A
521
L
H
HH22
ARG
V
49
R
-
O
GLY
A
521
L
-
CB
PHE
V
55
R
-
O
GLY
A
521
L
-
O
PHE
V
55
R
-
O
GLY
A
521
L
-
CD1
PHE
V
55
R
-
O
GLY
A
521
L
-
HB2
PHE
V
55
R
-
O
GLY
A
521
L
-
HD1
PHE
V
55
R
-
N
THR
A
522
L
-
O
PHE
V
55
R
-
N
THR
A
522
L
-
CD1
PHE
V
55
R
-
N
THR
A
522
L
-
CE1
PHE
V
55
R
-
N
THR
A
522
L
-
HB2
PHE
V
55
R
-
N
THR
A
522
L
-
HD1
PHE
V
55
R
-
N
THR
A
522
L
-
HE1
PHE
V
55
R
-
N
THR
A
522
L
-
HA
THR
V
56
R
-
N
THR
A
522
L
-
H
SER
V
57
R
-
CA
THR
A
522
L
-
CA
PHE
V
55
R
-
CA
THR
A
522
L
-
C
PHE
V
55
R
-
CA
THR
A
522
L
-
CB
PHE
V
55
R
-
CA
THR
A
522
L
-
O
PHE
V
55
R
-
CA
THR
A
522
L
-
CG
PHE
V
55
R
-
CA
THR
A
522
L
-
CD1
PHE
V
55
R
-
CA
THR
A
522
L
-
CE1
PHE
V
55
R
-
CA
THR
A
522
L
-
HB2
PHE
V
55
R
-
CA
THR
A
522
L
-
HD1
PHE
V
55
R
-
CA
THR
A
522
L
-
HE1
PHE
V
55
R
-
CA
THR
A
522
L
-
N
THR
V
56
R
-
CA
THR
A
522
L
-
CA
THR
V
56
R
-
CA
THR
A
522
L
-
C
THR
V
56
R
-
CA
THR
A
522
L
-
HA
THR
V
56
R
-
CA
THR
A
522
L
-
N
SER
V
57
R
-
CA
THR
A
522
L
-
H
SER
V
57
R
-
C
THR
A
522
L
-
C
PHE
V
55
R
-
C
THR
A
522
L
-
O
PHE
V
55
R
-
C
THR
A
522
L
-
H
PHE
V
55
R
-
C
THR
A
522
L
-
HD1
PHE
V
55
R
-
C
THR
A
522
L
-
N
THR
V
56
R
-
C
THR
A
522
L
-
CA
THR
V
56
R
-
C
THR
A
522
L
-
HA
THR
V
56
R
-
CB
THR
A
522
L
-
C
PHE
V
55
R
-
CB
THR
A
522
L
-
O
PHE
V
55
R
-
CB
THR
A
522
L
-
CD1
PHE
V
55
R
-
CB
THR
A
522
L
-
HD1
PHE
V
55
R
-
CB
THR
A
522
L
-
HE1
PHE
V
55
R
-
CB
THR
A
522
L
-
N
THR
V
56
R
-
CB
THR
A
522
L
-
CA
THR
V
56
R
-
CB
THR
A
522
L
-
C
THR
V
56
R
-
CB
THR
A
522
L
-
CB
THR
V
56
R
-
CB
THR
A
522
L
-
OG1
THR
V
56
R
-
CB
THR
A
522
L
-
HA
THR
V
56
R
-
CB
THR
A
522
L
-
HB
THR
V
56
R
-
CB
THR
A
522
L
-
HG1
THR
V
56
R
-
CB
THR
A
522
L
-
N
SER
V
57
R
-
CB
THR
A
522
L
-
CA
SER
V
57
R
-
CB
THR
A
522
L
-
OG
SER
V
57
R
-
CB
THR
A
522
L
-
H
SER
V
57
R
-
CB
THR
A
522
L
-
HB3
SER
V
57
R
-
O
THR
A
522
L
-
O
PHE
V
55
R
-
O
THR
A
522
L
-
HA
THR
V
56
R
-
CG2
THR
A
522
L
-
C
PHE
V
55
R
-
CG2
THR
A
522
L
-
O
PHE
V
55
R
-
CG2
THR
A
522
L
-
HD1
PHE
V
55
R
-
CG2
THR
A
522
L
-
N
THR
V
56
R
-
CG2
THR
A
522
L
-
CA
THR
V
56
R
-
CG2
THR
A
522
L
-
C
THR
V
56
R
-
CG2
THR
A
522
L
-
CB
THR
V
56
R
-
CG2
THR
A
522
L
-
O
THR
V
56
R
-
CG2
THR
A
522
L
-
CG2
THR
V
56
R
-
CG2
THR
A
522
L
-
OG1
THR
V
56
R
-
CG2
THR
A
522
L
-
H
THR
V
56
R
-
CG2
THR
A
522
L
-
HA
THR
V
56
R
-
CG2
THR
A
522
L
-
HB
THR
V
56
R
-
CG2
THR
A
522
L
-
HG1
THR
V
56
R
-
CG2
THR
A
522
L
-
HG22
THR
V
56
R
-
CG2
THR
A
522
L
-
HG23
THR
V
56
R
-
CG2
THR
A
522
L
-
N
SER
V
57
R
-
CG2
THR
A
522
L
-
CA
SER
V
57
R
-
CG2
THR
A
522
L
-
H
SER
V
57
R
-
CG2
THR
A
522
L
-
H
ALA
V
58
R
-
OG1
THR
A
522
L
-
O
PHE
V
55
R
-
OG1
THR
A
522
L
-
CD1
PHE
V
55
R
-
OG1
THR
A
522
L
-
CE1
PHE
V
55
R
-
OG1
THR
A
522
L
-
HD1
PHE
V
55
R
-
OG1
THR
A
522
L
-
HE1
PHE
V
55
R
-
OG1
THR
A
522
L
-
N
THR
V
56
R
-
OG1
THR
A
522
L
-
CA
THR
V
56
R
-
OG1
THR
A
522
L
-
C
THR
V
56
R
-
OG1
THR
A
522
L
-
O
THR
V
56
R
-
OG1
THR
A
522
L
-
HA
THR
V
56
R
-
OG1
THR
A
522
L
-
HG1
THR
V
56
R
-
OG1
THR
A
522
L
-
N
SER
V
57
R
-
OG1
THR
A
522
L
-
CA
SER
V
57
R
-
OG1
THR
A
522
L
-
CB
SER
V
57
R
-
OG1
THR
A
522
L
-
OG
SER
V
57
R
-
OG1
THR
A
522
L
-
H
SER
V
57
R
-
OG1
THR
A
522
L
-
HA
SER
V
57
R
-
OG1
THR
A
522
L
-
HB2
SER
V
57
R
-
OG1
THR
A
522
L
-
HB3
SER
V
57
R
-
OG1
THR
A
522
L
-
HG
SER
V
57
R
-
OG1
THR
A
522
L
-
H
ALA
V
58
R
-
N
LEU
A
523
L
-
N
PHE
V
55
R
-
N
LEU
A
523
L
-
CA
PHE
V
55
R
-
N
LEU
A
523
L
-
C
PHE
V
55
R
-
N
LEU
A
523
L
-
O
PHE
V
55
R
-
N
LEU
A
523
L
-
H
PHE
V
55
R
-
N
LEU
A
523
L
-
HB2
PHE
V
55
R
-
N
LEU
A
523
L
-
N
THR
V
56
R
-
N
LEU
A
523
L
-
CA
THR
V
56
R
-
N
LEU
A
523
L
-
HA
THR
V
56
R
-
N
LEU
A
523
L
-
HB
THR
V
56
R
-
CA
LEU
A
523
L
-
HB2
SER
V
54
R
-
CA
LEU
A
523
L
-
N
PHE
V
55
R
-
CA
LEU
A
523
L
-
C
PHE
V
55
R
-
CA
LEU
A
523
L
-
O
PHE
V
55
R
-
CA
LEU
A
523
L
-
H
PHE
V
55
R
-
C
LEU
A
523
L
-
O
PHE
V
55
R
-
C
LEU
A
523
L
-
H
PHE
V
55
R
-
CB
LEU
A
523
L
-
O
PHE
V
55
R
-
CG
LEU
A
523
L
-
O
PHE
V
55
R
-
CG
LEU
A
523
L
-
HB
THR
V
56
R
-
CD1
LEU
A
523
L
-
HB
THR
V
56
R
-
CD2
LEU
A
523
L
-
HB2
SER
V
54
R
-
CD2
LEU
A
523
L
-
HB
THR
V
56
R
-
N
ASP
A
524
L
-
H
PHE
V
55
R
-
O
ASP
A
524
L
H
HH12
ARG
V
49
R
-
O
ASP
A
524
L
H
HH22
ARG
V
49
R
-
O
ASP
A
524
L
-
O
ASP
V
53
R
-
O
ASP
A
524
L
-
HA
SER
V
54
R
-
N
THR
A
526
L
-
OD2
ASP
V
53
R
-
CA
THR
A
526
L
-
OD2
ASP
V
53
R
-
CB
THR
A
526
L
-
OD2
ASP
V
53
R
-
O
THR
A
526
L
-
OD2
ASP
V
53
R
-
OG1
THR
A
526
L
-
OD2
ASP
V
53
R
-
CG
HIS
A
555
L
H
O
ASP
V
52
R
-
CG
HIS
A
555
L
H
HB2
ASP
V
52
R
-
CD2
HIS
A
555
L
H
O
ASP
V
52
R
-
CD2
HIS
A
555
L
H
HA
ASP
V
52
R
-
ND1
HIS
A
555
L
H
O
ASP
V
52
R
-
ND1
HIS
A
555
L
H
HA
ASP
V
52
R
-
ND1
HIS
A
555
L
H
HB2
ASP
V
52
R
-
CE1
HIS
A
555
L
H
CA
ASP
V
52
R
-
CE1
HIS
A
555
L
H
CB
ASP
V
52
R
-
CE1
HIS
A
555
L
H
HA
ASP
V
52
R
-
CE1
HIS
A
555
L
H
HB2
ASP
V
52
R
-
NE2
HIS
A
555
L
H
CA
ASP
V
52
R
-
NE2
HIS
A
555
L
H
O
ASP
V
52
R
-
NE2
HIS
A
555
L
H
HA
ASP
V
52