A1IGU5_Q96D21.1
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
TRP
A
278
L
-
LYS
V
128
R
H
LEU
A
281
L
-
LYS
V
128
R
H
CYS
A
282
L
-
LYS
V
128
R
H
ALA
A
292
L
-
GLY
V
162
R
H
TYR
A
293
L
H
LEU
V
158
R
H
TYR
A
293
L
-
SER
V
161
R
H
TYR
A
293
L
-
GLY
V
162
R
H
ASN
A
296
L
-
SER
V
161
R
H
ASN
A
296
L
-
GLY
V
162
R
H
LEU
A
297
L
H
LEU
V
158
R
H
LEU
A
297
L
-
SER
V
161
R
H
PHE
A
300
L
H
THR
V
153
R
H
PHE
A
300
L
H
THR
V
154
R
H
PHE
A
300
L
H
GLU
V
155
R
H
PHE
A
300
L
H
GLU
V
157
R
H
PHE
A
300
L
H
LEU
V
158
R
-
PHE
A
303
L
H
THR
V
154
R
H
PRO
A
305
L
H
THR
V
154
R
-
GLY
A
315
L
H
LEU
V
147
R
H
PRO
A
316
L
H
LEU
V
147
R
H
ALA
A
317
L
H
GLU
V
146
R
H
ALA
A
317
L
H
LEU
V
147
R
H
TYR
A
320
L
H
GLU
V
146
R
H
TYR
A
320
L
-
ARG
V
149
R
H
TYR
A
320
L
-
VAL
V
151
R
H
TYR
A
320
L
-
PRO
V
152
R
H
TYR
A
320
L
H
THR
V
153
R
H
ALA
A
324
L
-
PRO
V
152
R
H
LEU
A
327
L
-
PRO
V
152
R
H
HIS
A
328
L
H
THR
V
154
R
H
PHE
A
332
L
H
THR
V
154
R
H
PHE
A
332
L
H
GLU
V
155
R
H
PHE
A
332
L
H
LEU
V
158
R
H
LEU
A
431
L
H
LEU
V
158
R
H
VAL
A
435
L
H
ARG
V
103
R
H
VAL
A
435
L
H
GLU
V
155
R
H
LEU
A
436
L
H
ARG
V
103
R
H
MET
A
443
L
H
ARG
V
103
R
H
MET
A
443
L
-
GLN
V
150
R
H
GLU
A
453
L
-
ASN
V
102
R
H
GLU
A
453
L
-
ARG
V
29
R
H
PRO
A
454
L
-
ARG
V
29
R
H
PHE
A
456
L
-
ASP
V
101
R
H
PHE
A
456
L
H
CYS
V
148
R
H
ARG
A
457
L
-
ARG
V
29
R
H
ARG
A
457
L
-
TYR
V
48
R
H
VAL
A
460
L
H
HIS
V
144
R
H
VAL
A
460
L
H
CYS
V
148
R
H
LEU
A
464
L
H
ASP
V
143
R
H
LEU
A
464
L
H
HIS
V
144
R
H
LEU
A
464
L
-
LYS
V
175
R
-
THR
A
520
L
-
ASN
V
176
R
-
THR
A
520
L
H
ARG
V
38
R
-
THR
A
522
L
-
PRO
V
198
R
-
THR
A
522
L
S
LYS
V
203
R
-
THR
A
522
L
-
GLY
V
42
R
-
LEU
A
523
L
-
ALA
V
199
R
-
LEU
A
523
L
-
HIS
V
201
R
-
LEU
A
523
L
S
ARG
V
202
R
-
LEU
A
523
L
S
LYS
V
203
R
-
THR
A
541
L
S
ARG
V
202
R
-
THR
A
541
L
S
LYS
V
203
R
-
LYS
A
542
L
-
SER
V
205
R
-
LYS
A
542
L
-
ARG
V
43
A1IGU5_Q96D21.1
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
O
TRP
A
278
L
-
HZ1
LYS
V
128
R
H
CG
TRP
A
278
L
-
HZ1
LYS
V
128
R
H
CD1
TRP
A
278
L
-
NZ
LYS
V
128
R
H
CD1
TRP
A
278
L
-
HE3
LYS
V
128
R
H
CD1
TRP
A
278
L
-
HZ1
LYS
V
128
R
H
CD1
TRP
A
278
L
-
HZ2
LYS
V
128
R
H
CD2
TRP
A
278
L
-
HZ1
LYS
V
128
R
H
CE2
TRP
A
278
L
-
HE3
LYS
V
128
R
H
CE2
TRP
A
278
L
-
HZ1
LYS
V
128
R
H
NE1
TRP
A
278
L
-
CE
LYS
V
128
R
H
NE1
TRP
A
278
L
-
NZ
LYS
V
128
R
H
NE1
TRP
A
278
L
-
HE2
LYS
V
128
R
H
NE1
TRP
A
278
L
-
HE3
LYS
V
128
R
H
NE1
TRP
A
278
L
-
HZ1
LYS
V
128
R
H
NE1
TRP
A
278
L
-
HZ2
LYS
V
128
R
H
CZ2
TRP
A
278
L
-
HE3
LYS
V
128
R
H
C
LEU
A
281
L
-
HZ3
LYS
V
128
R
H
CB
LEU
A
281
L
-
NZ
LYS
V
128
R
H
CB
LEU
A
281
L
-
HZ1
LYS
V
128
R
H
CB
LEU
A
281
L
-
HZ2
LYS
V
128
R
H
CB
LEU
A
281
L
-
HZ3
LYS
V
128
R
H
CD1
LEU
A
281
L
-
HZ2
LYS
V
128
R
H
N
CYS
A
282
L
-
HZ1
LYS
V
128
R
H
N
CYS
A
282
L
-
HZ3
LYS
V
128
R
H
SG
CYS
A
282
L
-
NZ
LYS
V
128
R
H
SG
CYS
A
282
L
-
HE2
LYS
V
128
R
H
SG
CYS
A
282
L
-
HZ1
LYS
V
128
R
H
SG
CYS
A
282
L
-
HZ3
LYS
V
128
R
H
C
ALA
A
292
L
-
HA2
GLY
V
162
R
H
O
ALA
A
292
L
-
HA2
GLY
V
162
R
H
N
TYR
A
293
L
-
HA3
GLY
V
162
R
H
CA
TYR
A
293
L
-
HA3
GLY
V
162
R
H
O
TYR
A
293
L
-
HB3
SER
V
161
R
H
CD2
TYR
A
293
L
-
O
SER
V
161
R
H
CD2
TYR
A
293
L
-
HA3
GLY
V
162
R
H
CE1
TYR
A
293
L
H
HD12
LEU
V
158
R
H
CE2
TYR
A
293
L
-
O
SER
V
161
R
H
OH
TYR
A
293
L
H
CD1
LEU
V
158
R
H
OH
TYR
A
293
L
H
HG
LEU
V
158
R
H
OH
TYR
A
293
L
H
HD11
LEU
V
158
R
H
OH
TYR
A
293
L
H
HD12
LEU
V
158
R
H
OH
TYR
A
293
L
H
HD22
LEU
V
158
R
H
CZ
TYR
A
293
L
H
HD12
LEU
V
158
R
H
CA
ASN
A
296
L
-
HB3
SER
V
161
R
H
C
ASN
A
296
L
-
HB3
SER
V
161
R
H
CB
ASN
A
296
L
-
CA
SER
V
161
R
H
CB
ASN
A
296
L
-
C
SER
V
161
R
H
CB
ASN
A
296
L
-
CB
SER
V
161
R
H
CB
ASN
A
296
L
-
OG
SER
V
161
R
H
CB
ASN
A
296
L
-
HA
SER
V
161
R
H
CB
ASN
A
296
L
-
HB3
SER
V
161
R
H
CB
ASN
A
296
L
-
N
GLY
V
162
R
H
CB
ASN
A
296
L
-
H
GLY
V
162
R
H
O
ASN
A
296
L
-
OG
SER
V
161
R
H
O
ASN
A
296
L
-
HB3
SER
V
161
R
H
CG
ASN
A
296
L
-
HA
SER
V
161
R
H
CG
ASN
A
296
L
-
HB3
SER
V
161
R
H
CG
ASN
A
296
L
-
N
GLY
V
162
R
H
CG
ASN
A
296
L
-
CA
GLY
V
162
R
H
CG
ASN
A
296
L
-
H
GLY
V
162
R
H
CG
ASN
A
296
L
-
HA2
GLY
V
162
R
H
ND2
ASN
A
296
L
-
C
SER
V
161
R
H
ND2
ASN
A
296
L
-
HA
SER
V
161
R
H
ND2
ASN
A
296
L
-
HB3
SER
V
161
R
H
ND2
ASN
A
296
L
-
N
GLY
V
162
R
H
ND2
ASN
A
296
L
-
CA
GLY
V
162
R
H
ND2
ASN
A
296
L
-
C
GLY
V
162
R
H
ND2
ASN
A
296
L
-
H
GLY
V
162
R
H
ND2
ASN
A
296
L
-
HA2
GLY
V
162
R
H
ND2
ASN
A
296
L
-
HA3
GLY
V
162
R
H
OD1
ASN
A
296
L
-
H
GLY
V
162
R
H
N
LEU
A
297
L
-
HB3
SER
V
161
R
H
CG
LEU
A
297
L
H
HD12
LEU
V
158
R
H
CG
LEU
A
297
L
H
HD13
LEU
V
158
R
H
CD1
LEU
A
297
L
H
CD1
LEU
V
158
R
H
CD1
LEU
A
297
L
H
HD11
LEU
V
158
R
H
CD1
LEU
A
297
L
H
HD12
LEU
V
158
R
H
CD1
LEU
A
297
L
H
HD13
LEU
V
158
R
H
O
PHE
A
300
L
H
HG22
THR
V
154
R
H
CG
PHE
A
300
L
H
O
THR
V
154
R
H
CG
PHE
A
300
L
H
HA
THR
V
154
R
H
CG
PHE
A
300
L
H
HB
THR
V
154
R
H
CG
PHE
A
300
L
H
HG22
THR
V
154
R
H
CG
PHE
A
300
L
H
HB2
GLU
V
157
R
H
CG
PHE
A
300
L
H
HB2
LEU
V
158
R
H
CD1
PHE
A
300
L
H
O
THR
V
154
R
H
CD1
PHE
A
300
L
H
HB
THR
V
154
R
H
CD1
PHE
A
300
L
H
HB2
LEU
V
158
R
H
CD1
PHE
A
300
L
H
HD13
LEU
V
158
R
H
CD2
PHE
A
300
L
H
CA
THR
V
154
R
H
CD2
PHE
A
300
L
H
C
THR
V
154
R
H
CD2
PHE
A
300
L
H
CB
THR
V
154
R
H
CD2
PHE
A
300
L
H
O
THR
V
154
R
H
CD2
PHE
A
300
L
H
CG2
THR
V
154
R
H
CD2
PHE
A
300
L
H
HA
THR
V
154
R
H
CD2
PHE
A
300
L
H
HB
THR
V
154
R
H
CD2
PHE
A
300
L
H
HG22
THR
V
154
R
H
CD2
PHE
A
300
L
H
CB
GLU
V
157
R
H
CD2
PHE
A
300
L
H
OE2
GLU
V
157
R
H
CD2
PHE
A
300
L
H
HB2
GLU
V
157
R
H
CD2
PHE
A
300
L
H
HB3
GLU
V
157
R
H
CD2
PHE
A
300
L
H
H
LEU
V
158
R
H
CD2
PHE
A
300
L
H
HB2
LEU
V
158
R
H
CE1
PHE
A
300
L
H
CA
THR
V
154
R
H
CE1
PHE
A
300
L
H
C
THR
V
154
R
H
CE1
PHE
A
300
L
H
CB
THR
V
154
R
H
CE1
PHE
A
300
L
H
O
THR
V
154
R
H
CE1
PHE
A
300
L
H
CG2
THR
V
154
R
H
CE1
PHE
A
300
L
H
OG1
THR
V
154
R
H
CE1
PHE
A
300
L
H
HA
THR
V
154
R
H
CE1
PHE
A
300
L
H
HB
THR
V
154
R
H
CE1
PHE
A
300
L
H
HG1
THR
V
154
R
H
CE1
PHE
A
300
L
H
HG21
THR
V
154
R
H
CE1
PHE
A
300
L
H
HG22
THR
V
154
R
H
CE1
PHE
A
300
L
H
HB2
LEU
V
158
R
H
CE2
PHE
A
300
L
H
O
THR
V
153
R
H
CE2
PHE
A
300
L
H
N
THR
V
154
R
H
CE2
PHE
A
300
L
H
CA
THR
V
154
R
H
CE2
PHE
A
300
L
H
C
THR
V
154
R
H
CE2
PHE
A
300
L
H
CB
THR
V
154
R
H
CE2
PHE
A
300
L
H
O
THR
V
154
R
H
CE2
PHE
A
300
L
H
CG2
THR
V
154
R
H
CE2
PHE
A
300
L
H
OG1
THR
V
154
R
H
CE2
PHE
A
300
L
H
H
THR
V
154
R
H
CE2
PHE
A
300
L
H
HA
THR
V
154
R
H
CE2
PHE
A
300
L
H
HB
THR
V
154
R
H
CE2
PHE
A
300
L
H
HG1
THR
V
154
R
H
CE2
PHE
A
300
L
H
HG21
THR
V
154
R
H
CE2
PHE
A
300
L
H
HG22
THR
V
154
R
H
CE2
PHE
A
300
L
H
HG23
THR
V
154
R
H
CE2
PHE
A
300
L
H
N
GLU
V
155
R
H
CE2
PHE
A
300
L
H
CB
GLU
V
157
R
H
CE2
PHE
A
300
L
H
OE2
GLU
V
157
R
H
CE2
PHE
A
300
L
H
HB2
GLU
V
157
R
H
CE2
PHE
A
300
L
H
H
LEU
V
158
R
H
CE2
PHE
A
300
L
H
HB2
LEU
V
158
R
H
CZ
PHE
A
300
L
H
N
THR
V
154
R
H
CZ
PHE
A
300
L
H
CA
THR
V
154
R
H
CZ
PHE
A
300
L
H
C
THR
V
154
R
H
CZ
PHE
A
300
L
H
CB
THR
V
154
R
H
CZ
PHE
A
300
L
H
O
THR
V
154
R
H
CZ
PHE
A
300
L
H
CG2
THR
V
154
R
H
CZ
PHE
A
300
L
H
OG1
THR
V
154
R
H
CZ
PHE
A
300
L
H
HA
THR
V
154
R
H
CZ
PHE
A
300
L
H
HB
THR
V
154
R
H
CZ
PHE
A
300
L
H
HG1
THR
V
154
R
H
CZ
PHE
A
300
L
H
HG21
THR
V
154
R
H
CZ
PHE
A
300
L
H
HG22
THR
V
154
R
H
CZ
PHE
A
300
L
H
HG23
THR
V
154
R
H
CZ
PHE
A
300
L
H
N
GLU
V
155
R
H
CZ
PHE
A
300
L
H
H
GLU
V
155
R
H
CZ
PHE
A
300
L
H
HA
GLU
V
155
R
H
CZ
PHE
A
300
L
H
HB2
GLU
V
157
R
H
CZ
PHE
A
300
L
H
HB2
LEU
V
158
R
-
O
PHE
A
303
L
H
HG21
THR
V
154
R
-
O
PHE
A
303
L
H
HG22
THR
V
154
R
H
CG
PRO
A
305
L
H
HG23
THR
V
154
R
H
CD
PRO
A
305
L
H
HG23
THR
V
154
R
-
CA
GLY
A
315
L
H
HD22
LEU
V
147
R
-
C
GLY
A
315
L
H
CD2
LEU
V
147
R
-
C
GLY
A
315
L
H
HD21
LEU
V
147
R
-
C
GLY
A
315
L
H
HD22
LEU
V
147
R
-
C
GLY
A
315
L
H
HD23
LEU
V
147
R
-
O
GLY
A
315
L
H
HD22
LEU
V
147
R
H
N
PRO
A
316
L
H
CD2
LEU
V
147
R
H
N
PRO
A
316
L
H
HD21
LEU
V
147
R
H
N
PRO
A
316
L
H
HD22
LEU
V
147
R
H
N
PRO
A
316
L
H
HD23
LEU
V
147
R
H
CA
PRO
A
316
L
H
CD2
LEU
V
147
R
H
CA
PRO
A
316
L
H
HA
LEU
V
147
R
H
CA
PRO
A
316
L
H
HB2
LEU
V
147
R
H
CA
PRO
A
316
L
H
HD21
LEU
V
147
R
H
CA
PRO
A
316
L
H
HD22
LEU
V
147
R
H
CA
PRO
A
316
L
H
HD23
LEU
V
147
R
H
C
PRO
A
316
L
H
CD2
LEU
V
147
R
H
C
PRO
A
316
L
H
HA
LEU
V
147
R
H
C
PRO
A
316
L
H
HD21
LEU
V
147
R
H
C
PRO
A
316
L
H
HD22
LEU
V
147
R
H
C
PRO
A
316
L
H
HD23
LEU
V
147
R
H
CB
PRO
A
316
L
H
CA
LEU
V
147
R
H
CB
PRO
A
316
L
H
C
LEU
V
147
R
H
CB
PRO
A
316
L
H
CB
LEU
V
147
R
H
CB
PRO
A
316
L
H
O
LEU
V
147
R
H
CB
PRO
A
316
L
H
CG
LEU
V
147
R
H
CB
PRO
A
316
L
H
CD2
LEU
V
147
R
H
CB
PRO
A
316
L
H
HA
LEU
V
147
R
H
CB
PRO
A
316
L
H
HB2
LEU
V
147
R
H
CB
PRO
A
316
L
H
HD13
LEU
V
147
R
H
CB
PRO
A
316
L
H
HD21
LEU
V
147
R
H
CB
PRO
A
316
L
H
HD22
LEU
V
147
R
H
CB
PRO
A
316
L
H
HD23
LEU
V
147
R
H
O
PRO
A
316
L
H
HA
LEU
V
147
R
H
O
PRO
A
316
L
H
HD21
LEU
V
147
R
H
CG
PRO
A
316
L
H
CB
LEU
V
147
R
H
CG
PRO
A
316
L
H
CG
LEU
V
147
R
H
CG
PRO
A
316
L
H
CD2
LEU
V
147
R
H
CG
PRO
A
316
L
H
HA
LEU
V
147
R
H
CG
PRO
A
316
L
H
HB2
LEU
V
147
R
H
CG
PRO
A
316
L
H
HD13
LEU
V
147
R
H
CG
PRO
A
316
L
H
HD21
LEU
V
147
R
H
CG
PRO
A
316
L
H
HD22
LEU
V
147
R
H
CD
PRO
A
316
L
H
CG
LEU
V
147
R
H
CD
PRO
A
316
L
H
CD1
LEU
V
147
R
H
CD
PRO
A
316
L
H
CD2
LEU
V
147
R
H
CD
PRO
A
316
L
H
HB2
LEU
V
147
R
H
CD
PRO
A
316
L
H
HD13
LEU
V
147
R
H
CD
PRO
A
316
L
H
HD21
LEU
V
147
R
H
CD
PRO
A
316
L
H
HD22
LEU
V
147
R
H
CD
PRO
A
316
L
H
HD23
LEU
V
147
R
H
N
ALA
A
317
L
H
CG
LEU
V
147
R
H
N
ALA
A
317
L
H
CD2
LEU
V
147
R
H
N
ALA
A
317
L
H
HA
LEU
V
147
R
H
N
ALA
A
317
L
H
HG
LEU
V
147
R
H
N
ALA
A
317
L
H
HD21
LEU
V
147
R
H
N
ALA
A
317
L
H
HD22
LEU
V
147
R
H
N
ALA
A
317
L
H
HD23
LEU
V
147
R
H
CA
ALA
A
317
L
H
HG3
GLU
V
146
R
H
CA
ALA
A
317
L
H
CD2
LEU
V
147
R
H
CA
ALA
A
317
L
H
HA
LEU
V
147
R
H
CA
ALA
A
317
L
H
HD21
LEU
V
147
R
H
CA
ALA
A
317
L
H
HD22
LEU
V
147
R
H
CA
ALA
A
317
L
H
HD23
LEU
V
147
R
H
C
ALA
A
317
L
H
HD21
LEU
V
147
R
H
CB
ALA
A
317
L
H
HB3
GLU
V
146
R
H
CB
ALA
A
317
L
H
CD2
LEU
V
147
R
H
CB
ALA
A
317
L
H
HG
LEU
V
147
R
H
CB
ALA
A
317
L
H
HD21
LEU
V
147
R
H
CB
ALA
A
317
L
H
HD23
LEU
V
147
R
H
CB
TYR
A
320
L
H
HG3
GLU
V
146
R
H
CG
TYR
A
320
L
H
OE1
GLU
V
146
R
H
CG
TYR
A
320
L
H
HG3
GLU
V
146
R
H
CG
TYR
A
320
L
-
HB3
ARG
V
149
R
H
CG
TYR
A
320
L
-
HD2
ARG
V
149
R
H
CD1
TYR
A
320
L
H
CG
GLU
V
146
R
H
CD1
TYR
A
320
L
H
CD
GLU
V
146
R
H
CD1
TYR
A
320
L
H
OE1
GLU
V
146
R
H
CD1
TYR
A
320
L
H
HG3
GLU
V
146
R
H
CD1
TYR
A
320
L
-
HD2
ARG
V
149
R
H
CD2
TYR
A
320
L
H
OE1
GLU
V
146
R
H
CD2
TYR
A
320
L
-
O
ARG
V
149
R
H
CD2
TYR
A
320
L
-
CG
ARG
V
149
R
H
CD2
TYR
A
320
L
-
CD
ARG
V
149
R
H
CD2
TYR
A
320
L
-
HB3
ARG
V
149
R
H
CD2
TYR
A
320
L
-
HG2
ARG
V
149
R
H
CD2
TYR
A
320
L
-
HD2
ARG
V
149
R
H
CD2
TYR
A
320
L
-
HD3
ARG
V
149
R
H
CD2
TYR
A
320
L
-
HG3
PRO
V
152
R
H
CE1
TYR
A
320
L
H
CD
GLU
V
146
R
H
CE1
TYR
A
320
L
H
OE1
GLU
V
146
R
H
CE1
TYR
A
320
L
-
CD
ARG
V
149
R
H
CE1
TYR
A
320
L
-
HD2
ARG
V
149
R
H
CE1
TYR
A
320
L
-
HD3
ARG
V
149
R
H
CE1
TYR
A
320
L
-
HA
PRO
V
152
R
H
CE2
TYR
A
320
L
H
OE1
GLU
V
146
R
H
CE2
TYR
A
320
L
-
CG
ARG
V
149
R
H
CE2
TYR
A
320
L
-
CD
ARG
V
149
R
H
CE2
TYR
A
320
L
-
HB3
ARG
V
149
R
H
CE2
TYR
A
320
L
-
HG2
ARG
V
149
R
H
CE2
TYR
A
320
L
-
HD2
ARG
V
149
R
H
CE2
TYR
A
320
L
-
HD3
ARG
V
149
R
H
CE2
TYR
A
320
L
-
N
PRO
V
152
R
H
CE2
TYR
A
320
L
-
CA
PRO
V
152
R
H
CE2
TYR
A
320
L
-
HA
PRO
V
152
R
H
CE2
TYR
A
320
L
-
HB3
PRO
V
152
R
H
CE2
TYR
A
320
L
-
HG3
PRO
V
152
R
H
OH
TYR
A
320
L
H
OE1
GLU
V
146
R
H
OH
TYR
A
320
L
-
CD
ARG
V
149
R
H
OH
TYR
A
320
L
-
NE
ARG
V
149
R
H
OH
TYR
A
320
L
-
HG2
ARG
V
149
R
H
OH
TYR
A
320
L
-
HD2
ARG
V
149
R
H
OH
TYR
A
320
L
-
HD3
ARG
V
149
R
H
OH
TYR
A
320
L
-
HH11
ARG
V
149
R
H
OH
TYR
A
320
L
-
O
VAL
V
151
R
H
OH
TYR
A
320
L
-
N
PRO
V
152
R
H
OH
TYR
A
320
L
-
CA
PRO
V
152
R
H
OH
TYR
A
320
L
-
C
PRO
V
152
R
H
OH
TYR
A
320
L
-
CB
PRO
V
152
R
H
OH
TYR
A
320
L
-
HA
PRO
V
152
R
H
OH
TYR
A
320
L
-
HB3
PRO
V
152
R
H
OH
TYR
A
320
L
-
HG3
PRO
V
152
R
H
OH
TYR
A
320
L
H
N
THR
V
153
R
H
OH
TYR
A
320
L
H
H
THR
V
153
R
H
CZ
TYR
A
320
L
H
OE1
GLU
V
146
R
H
CZ
TYR
A
320
L
-
CG
ARG
V
149
R
H
CZ
TYR
A
320
L
-
CD
ARG
V
149
R
H
CZ
TYR
A
320
L
-
NE
ARG
V
149
R
H
CZ
TYR
A
320
L
-
HG2
ARG
V
149
R
H
CZ
TYR
A
320
L
-
HD2
ARG
V
149
R
H
CZ
TYR
A
320
L
-
HD3
ARG
V
149
R
H
CZ
TYR
A
320
L
-
CA
PRO
V
152
R
H
CZ
TYR
A
320
L
-
HA
PRO
V
152
R
H
CZ
TYR
A
320
L
-
HB3
PRO
V
152
R
H
CZ
TYR
A
320
L
-
HG3
PRO
V
152
R
H
CZ
TYR
A
320
L
H
H
THR
V
153
R
H
CB
ALA
A
324
L
-
HB3
PRO
V
152
R
H
CD1
LEU
A
327
L
-
HG2
PRO
V
152
R
H
ND1
HIS
A
328
L
H
HG21
THR
V
154
R
H
CG
PHE
A
332
L
H
HD23
LEU
V
158
R
H
CD1
PHE
A
332
L
H
CD2
LEU
V
158
R
H
CD1
PHE
A
332
L
H
HD21
LEU
V
158
R
H
CD1
PHE
A
332
L
H
HD22
LEU
V
158
R
H
CD1
PHE
A
332
L
H
HD23
LEU
V
158
R
H
CE1
PHE
A
332
L
H
HA
GLU
V
155
R
H
CE1
PHE
A
332
L
H
CD2
LEU
V
158
R
H
CE1
PHE
A
332
L
H
HD21
LEU
V
158
R
H
CE1
PHE
A
332
L
H
HD22
LEU
V
158
R
H
CE1
PHE
A
332
L
H
HD23
LEU
V
158
R
H
CE2
PHE
A
332
L
H
HB
THR
V
154
R
H
CE2
PHE
A
332
L
H
HG1
THR
V
154
R
H
CZ
PHE
A
332
L
H
HA
GLU
V
155
R
H
CZ
PHE
A
332
L
H
HB2
GLU
V
155
R
H
CZ
PHE
A
332
L
H
HG3
GLU
V
155
R
H
CZ
PHE
A
332
L
H
CD2
LEU
V
158
R
H
CZ
PHE
A
332
L
H
HD21
LEU
V
158
R
H
CZ
PHE
A
332
L
H
HD23
LEU
V
158
R
H
CD2
LEU
A
431
L
H
CD2
LEU
V
158
R
H
CD2
LEU
A
431
L
H
HD21
LEU
V
158
R
H
CD2
LEU
A
431
L
H
HD22
LEU
V
158
R
H
C
VAL
A
435
L
H
HH22
ARG
V
103
R
H
CB
VAL
A
435
L
H
HH22
ARG
V
103
R
H
CG1
VAL
A
435
L
H
NH2
ARG
V
103
R
H
CG1
VAL
A
435
L
H
HH12
ARG
V
103
R
H
CG1
VAL
A
435
L
H
HH21
ARG
V
103
R
H
CG1
VAL
A
435
L
H
HH22
ARG
V
103
R
H
CG1
VAL
A
435
L
H
CD
GLU
V
155
R
H
CG1
VAL
A
435
L
H
OE1
GLU
V
155
R
H
CG1
VAL
A
435
L
H
OE2
GLU
V
155
R
H
N
LEU
A
436
L
H
HH21
ARG
V
103
R
H
CA
LEU
A
436
L
H
HH21
ARG
V
103
R
H
CD1
LEU
A
436
L
H
HE
ARG
V
103
R
H
CG
MET
A
443
L
-
HG2
GLN
V
150
R
H
SD
MET
A
443
L
H
HB2
ARG
V
103
R
H
SD
MET
A
443
L
-
CD
GLN
V
150
R
H
SD
MET
A
443
L
-
OE1
GLN
V
150
R
H
SD
MET
A
443
L
-
HB3
GLN
V
150
R
H
SD
MET
A
443
L
-
HG2
GLN
V
150
R
H
CE
MET
A
443
L
H
HG2
ARG
V
103
R
H
OE1
GLU
A
453
L
-
HB2
ARG
V
29
R
H
OE1
GLU
A
453
L
-
HD2
ARG
V
29
R
H
OE1
GLU
A
453
L
-
HH11
ARG
V
29
R
H
OE1
GLU
A
453
L
-
HD21
ASN
V
102
R
H
CG
PRO
A
454
L
-
HH12
ARG
V
29
R
H
CE1
PHE
A
456
L
-
HB2
ASP
V
101
R
H
CE1
PHE
A
456
L
H
HB3
CYS
V
148
R
H
CE2
PHE
A
456
L
H
SG
CYS
V
148
R
H
CZ
PHE
A
456
L
-
HB2
ASP
V
101
R
H
CZ
PHE
A
456
L
H
CB
CYS
V
148
R
H
CZ
PHE
A
456
L
H
SG
CYS
V
148
R
H
CZ
PHE
A
456
L
H
HA
CYS
V
148
R
H
CZ
PHE
A
456
L
H
HB3
CYS
V
148
R
H
NH1
ARG
A
457
L
-
CA
ARG
V
29
R
H
NH1
ARG
A
457
L
-
CB
ARG
V
29
R
H
NH1
ARG
A
457
L
-
O
ARG
V
29
R
H
NH1
ARG
A
457
L
-
CG
ARG
V
29
R
H
NH1
ARG
A
457
L
-
CD
ARG
V
29
R
H
NH1
ARG
A
457
L
-
HA
ARG
V
29
R
H
NH1
ARG
A
457
L
-
HB2
ARG
V
29
R
H
NH1
ARG
A
457
L
-
HB3
ARG
V
29
R
H
NH1
ARG
A
457
L
-
HG2
ARG
V
29
R
H
NH1
ARG
A
457
L
-
HD3
ARG
V
29
R
H
NH2
ARG
A
457
L
-
HB2
TYR
V
48
R
H
NH2
ARG
A
457
L
-
HD2
TYR
V
48
R
H
CZ
ARG
A
457
L
-
HB3
ARG
V
29
R
H
CZ
ARG
A
457
L
-
HD3
ARG
V
29
R
H
CB
VAL
A
460
L
H
ND1
HIS
V
144
R
H
CB
VAL
A
460
L
H
CE1
HIS
V
144
R
H
CG1
VAL
A
460
L
H
CB
HIS
V
144
R
H
CG1
VAL
A
460
L
H
CG
HIS
V
144
R
H
CG1
VAL
A
460
L
H
CD2
HIS
V
144
R
H
CG1
VAL
A
460
L
H
ND1
HIS
V
144
R
H
CG1
VAL
A
460
L
H
CE1
HIS
V
144
R
H
CG1
VAL
A
460
L
H
NE2
HIS
V
144
R
H
CG1
VAL
A
460
L
H
HA
HIS
V
144
R
H
CG1
VAL
A
460
L
H
HB3
HIS
V
144
R
H
CG1
VAL
A
460
L
H
HD2
HIS
V
144
R
H
CG1
VAL
A
460
L
H
HE1
HIS
V
144
R
H
CG1
VAL
A
460
L
H
HD1
HIS
V
144
R
H
CG2
VAL
A
460
L
H
SG
CYS
V
148
R
H
CG2
VAL
A
460
L
H
HG
CYS
V
148
R
H
CG
LEU
A
464
L
H
O
ASP
V
143
R
H
CG
LEU
A
464
L
H
HA
HIS
V
144
R
H
CG
LEU
A
464
L
H
HD2
HIS
V
144
R
H
CD1
LEU
A
464
L
H
C
ASP
V
143
R
H
CD1
LEU
A
464
L
H
O
ASP
V
143
R
H
CD1
LEU
A
464
L
H
CG
ASP
V
143
R
H
CD1
LEU
A
464
L
H
OD2
ASP
V
143
R
H
CD1
LEU
A
464
L
H
HB2
ASP
V
143
R
H
CD1
LEU
A
464
L
H
N
HIS
V
144
R
H
CD1
LEU
A
464
L
H
CA
HIS
V
144
R
H
CD1
LEU
A
464
L
H
CG
HIS
V
144
R
H
CD1
LEU
A
464
L
H
CD2
HIS
V
144
R
H
CD1
LEU
A
464
L
H
NE2
HIS
V
144
R
H
CD1
LEU
A
464
L
H
HA
HIS
V
144
R
H
CD1
LEU
A
464
L
H
HD2
HIS
V
144
R
H
CD2
LEU
A
464
L
H
C
ASP
V
143
R
H
CD2
LEU
A
464
L
H
O
ASP
V
143
R
H
CD2
LEU
A
464
L
H
HB2
ASP
V
143
R
H
CD2
LEU
A
464
L
H
CA
HIS
V
144
R
H
CD2
LEU
A
464
L
H
HA
HIS
V
144
R
H
CD2
LEU
A
464
L
H
HD2
HIS
V
144
R
H
CD2
LEU
A
464
L
-
HZ1
LYS
V
175
R
-
O
THR
A
520
L
H
HH11
ARG
V
38
R
-
O
THR
A
520
L
-
ND2
ASN
V
176
R
-
O
THR
A
520
L
-
HB2
ASN
V
176
R
-
O
THR
A
520
L
-
HB3
ASN
V
176
R
-
O
THR
A
520
L
-
HD21
ASN
V
176
R
-
N
THR
A
522
L
S
HZ3
LYS
V
203
R
-
CA
THR
A
522
L
S
HE3
LYS
V
203
R
-
CA
THR
A
522
L
S
HZ3
LYS
V
203
R
-
CB
THR
A
522
L
S
CD
LYS
V
203
R
-
CB
THR
A
522
L
S
CE
LYS
V
203
R
-
CB
THR
A
522
L
S
NZ
LYS
V
203
R
-
CB
THR
A
522
L
S
HD2
LYS
V
203
R
-
CB
THR
A
522
L
S
HE3
LYS
V
203
R
-
CB
THR
A
522
L
S
HZ1
LYS
V
203
R
-
CB
THR
A
522
L
S
HZ2
LYS
V
203
R
-
CB
THR
A
522
L
S
HZ3
LYS
V
203
R
-
CG2
THR
A
522
L
-
C
PRO
V
198
R
-
CG2
THR
A
522
L
-
O
PRO
V
198
R
-
CG2
THR
A
522
L
-
HB3
PRO
V
198
R
-
CG2
THR
A
522
L
S
CG
LYS
V
203
R
-
CG2
THR
A
522
L
S
CD
LYS
V
203
R
-
CG2
THR
A
522
L
S
CE
LYS
V
203
R
-
CG2
THR
A
522
L
S
NZ
LYS
V
203
R
-
CG2
THR
A
522
L
S
HG2
LYS
V
203
R
-
CG2
THR
A
522
L
S
HD2
LYS
V
203
R
-
CG2
THR
A
522
L
S
HE2
LYS
V
203
R
-
CG2
THR
A
522
L
S
HE3
LYS
V
203
R
-
CG2
THR
A
522
L
S
HZ1
LYS
V
203
R
-
CG2
THR
A
522
L
S
HZ2
LYS
V
203
R
-
CG2
THR
A
522
L
S
HZ3
LYS
V
203
R
-
OG1
THR
A
522
L
-
CA
GLY
V
42
R
-
OG1
THR
A
522
L
-
HA2
GLY
V
42
R
-
OG1
THR
A
522
L
-
HA3
GLY
V
42
R
-
OG1
THR
A
522
L
S
CD
LYS
V
203
R
-
OG1
THR
A
522
L
S
CE
LYS
V
203
R
-
OG1
THR
A
522
L
S
NZ
LYS
V
203
R
-
OG1
THR
A
522
L
S
HD2
LYS
V
203
R
-
OG1
THR
A
522
L
S
HE2
LYS
V
203
R
-
OG1
THR
A
522
L
S
HE3
LYS
V
203
R
-
OG1
THR
A
522
L
S
HZ1
LYS
V
203
R
-
OG1
THR
A
522
L
S
HZ2
LYS
V
203
R
-
OG1
THR
A
522
L
S
HZ3
LYS
V
203
R
-
N
LEU
A
523
L
-
HA
ALA
V
199
R
-
CD1
LEU
A
523
L
-
O
HIS
V
201
R
-
CD1
LEU
A
523
L
S
CA
ARG
V
202
R
-
CD1
LEU
A
523
L
S
HA
ARG
V
202
R
-
CD1
LEU
A
523
L
S
HG2
ARG
V
202
R
-
CD1
LEU
A
523
L
S
H
LYS
V
203
R
-
CD2
LEU
A
523
L
-
C
ALA
V
199
R
-
CD2
LEU
A
523
L
-
O
ALA
V
199
R
-
CD2
LEU
A
523
L
-
HA
ALA
V
199
R
-
CA
THR
A
541
L
S
HH21
ARG
V
202
R
-
CB
THR
A
541
L
S
NH2
ARG
V
202
R
-
CB
THR
A
541
L
S
HE
ARG
V
202
R
-
CB
THR
A
541
L
S
HH21
ARG
V
202
R
-
CG2
THR
A
541
L
S
NE
ARG
V
202
R
-
CG2
THR
A
541
L
S
NH2
ARG
V
202
R
-
CG2
THR
A
541
L
S
CZ
ARG
V
202
R
-
CG2
THR
A
541
L
S
HE
ARG
V
202
R
-
CG2
THR
A
541
L
S
HH21
ARG
V
202
R
-
CG2
THR
A
541
L
S
HH22
ARG
V
202
R
-
OG1
THR
A
541
L
S
HE
ARG
V
202
R
-
OG1
THR
A
541
L
S
HH21
ARG
V
202
R
-
OG1
THR
A
541
L
S
O
LYS
V
203
R
-
CG
LYS
A
542
L
-
HG
SER
V
205
R
-
CE
LYS
A
542
L
-
HB3
SER
V
205
R
-
NZ
LYS
A
542
L
-
NH2
ARG
V
43
R
-
NZ
LYS
A
542
L
-
HH21
ARG
V
43
R
-
NZ
LYS
A
542
L
-
HH22
ARG
V
43