A1IGU5_Q8N4T4.71
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
PHE
A
300
L
H
GLU
V
317
R
H
PHE
A
332
L
H
GLU
V
317
R
H
VAL
A
425
L
-
PRO
V
295
R
H
GLN
A
428
L
-
PRO
V
295
R
H
ALA
A
432
L
-
GLY
V
293
R
H
GLU
A
461
L
-
LYS
V
334
R
H
LEU
A
464
L
H
SER
V
331
R
H
LEU
A
464
L
-
ASN
V
335
R
H
GLY
A
465
L
-
ASN
V
335
R
H
SER
A
468
L
-
ASN
V
335
R
H
ARG
A
472
L
-
ASN
V
335
R
H
PHE
A
474
L
H
GLN
V
192
R
H
THR
A
477
L
H
ARG
V
185
R
H
PHE
A
478
L
H
GLU
V
189
R
H
PHE
A
478
L
H
THR
V
190
R
H
PHE
A
478
L
H
ARG
V
193
R
H
VAL
A
481
L
H
ARG
V
185
R
H
VAL
A
481
L
H
LEU
V
186
R
H
VAL
A
481
L
H
GLU
V
189
R
-
GLN
A
482
L
H
ARG
V
193
R
-
GLN
A
488
L
H
GLU
V
101
R
-
LEU
A
491
L
H
GLN
V
105
R
-
LEU
A
491
L
H
ALA
V
108
R
-
PRO
A
492
L
H
GLN
V
105
R
-
PRO
A
492
L
H
ARG
V
112
R
-
PRO
A
492
L
H
GLN
V
64
R
-
GLY
A
493
L
H
ARG
V
112
R
H
SER
A
494
L
H
ARG
V
112
R
H
ARG
A
496
L
H
PRO
V
61
R
-
ILE
A
517
L
H
LYS
V
200
R
-
SER
A
518
L
-
TRP
V
227
R
-
GLY
A
519
L
-
GLY
V
225
R
-
GLY
A
519
L
-
ARG
V
226
R
-
GLY
A
519
L
-
TRP
V
227
R
-
THR
A
520
L
-
THR
V
252
R
-
THR
A
520
L
-
ASP
V
253
R
-
THR
A
520
L
H
GLN
V
333
R
-
GLY
A
521
L
-
ARG
V
226
R
-
GLY
A
521
L
-
ASP
V
253
R
-
THR
A
522
L
-
ARG
V
226
R
-
THR
A
522
L
-
ASP
V
253
R
-
THR
A
522
L
S
VAL
V
254
R
-
THR
A
522
L
S
LEU
V
277
R
-
LEU
A
523
L
-
GLY
V
221
R
-
LEU
A
523
L
-
LEU
V
222
R
-
LEU
A
523
L
-
SER
V
224
R
-
LEU
A
523
L
-
ARG
V
226
R
-
ASP
A
524
L
-
SER
V
224
R
-
ASP
A
524
L
-
GLY
V
225
R
-
ASP
A
524
L
-
ARG
V
226
R
-
LEU
A
525
L
-
SER
V
224
R
-
LEU
A
525
L
-
GLY
V
225
R
-
THR
A
526
L
H
LYS
V
200
R
-
THR
A
526
L
-
GLY
V
225
R
-
THR
A
526
L
-
TRP
V
227
R
-
LEU
A
527
L
H
LYS
V
200
R
-
PRO
A
528
L
H
LYS
V
200
R
-
HIS
A
555
L
H
ARG
V
208
R
-
HIS
A
555
L
-
SER
V
224
R
S
ARG
A
556
L
-
LYS
V
220
R
S
ARG
A
556
L
-
GLY
V
221
R
S
ARG
A
556
L
-
SER
V
224
R
S
GLY
A
557
L
-
SER
V
224
R
-
THR
A
590
L
-
GLY
V
56
R
-
THR
A
590
L
-
ARG
V
59
R
-
THR
A
590
L
H
PRO
V
60
R
-
THR
A
590
L
H
ARG
V
63
R
-
PRO
A
591
L
H
LYS
V
55
R
-
PRO
A
591
L
-
GLY
V
56
R
-
GLU
A
592
L
-
ARG
V
59
A1IGU5_Q8N4T4.71
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
CD2
PHE
A
300
L
H
OE2
GLU
V
317
R
H
CE2
PHE
A
300
L
H
OE2
GLU
V
317
R
H
CE1
PHE
A
332
L
H
OE1
GLU
V
317
R
H
CG1
VAL
A
425
L
-
HG3
PRO
V
295
R
H
CB
GLN
A
428
L
-
HB3
PRO
V
295
R
H
CG
GLN
A
428
L
-
HB3
PRO
V
295
R
H
CB
ALA
A
432
L
-
O
GLY
V
293
R
H
OE1
GLU
A
461
L
-
HZ3
LYS
V
334
R
H
CA
LEU
A
464
L
-
HD22
ASN
V
335
R
H
C
LEU
A
464
L
-
ND2
ASN
V
335
R
H
C
LEU
A
464
L
-
OD1
ASN
V
335
R
H
C
LEU
A
464
L
-
HD22
ASN
V
335
R
H
CB
LEU
A
464
L
-
ND2
ASN
V
335
R
H
CB
LEU
A
464
L
-
HD22
ASN
V
335
R
H
O
LEU
A
464
L
-
CG
ASN
V
335
R
H
O
LEU
A
464
L
-
ND2
ASN
V
335
R
H
O
LEU
A
464
L
-
OD1
ASN
V
335
R
H
O
LEU
A
464
L
-
HD21
ASN
V
335
R
H
O
LEU
A
464
L
-
HD22
ASN
V
335
R
H
CG
LEU
A
464
L
-
HD22
ASN
V
335
R
H
CD1
LEU
A
464
L
H
HB3
SER
V
331
R
H
CD2
LEU
A
464
L
-
HD22
ASN
V
335
R
H
N
GLY
A
465
L
-
OD1
ASN
V
335
R
H
N
GLY
A
465
L
-
HD22
ASN
V
335
R
H
CA
GLY
A
465
L
-
OD1
ASN
V
335
R
H
CA
SER
A
468
L
-
HB3
ASN
V
335
R
H
CB
SER
A
468
L
-
CB
ASN
V
335
R
H
CB
SER
A
468
L
-
CG
ASN
V
335
R
H
CB
SER
A
468
L
-
ND2
ASN
V
335
R
H
CB
SER
A
468
L
-
HB2
ASN
V
335
R
H
CB
SER
A
468
L
-
HB3
ASN
V
335
R
H
CB
SER
A
468
L
-
HD21
ASN
V
335
R
H
OG
SER
A
468
L
-
CA
ASN
V
335
R
H
OG
SER
A
468
L
-
C
ASN
V
335
R
H
OG
SER
A
468
L
-
CB
ASN
V
335
R
H
OG
SER
A
468
L
-
O
ASN
V
335
R
H
OG
SER
A
468
L
-
CG
ASN
V
335
R
H
OG
SER
A
468
L
-
ND2
ASN
V
335
R
H
OG
SER
A
468
L
-
HA
ASN
V
335
R
H
OG
SER
A
468
L
-
HB2
ASN
V
335
R
H
OG
SER
A
468
L
-
HB3
ASN
V
335
R
H
OG
SER
A
468
L
-
HD21
ASN
V
335
R
H
NH2
ARG
A
472
L
-
C
ASN
V
335
R
H
NH2
ARG
A
472
L
-
O
ASN
V
335
R
H
CZ
ARG
A
472
L
-
O
ASN
V
335
R
H
CE1
PHE
A
474
L
H
HG2
GLN
V
192
R
H
CZ
PHE
A
474
L
H
HG2
GLN
V
192
R
H
O
THR
A
477
L
H
HH21
ARG
V
185
R
H
O
THR
A
477
L
H
HH22
ARG
V
185
R
H
CG2
THR
A
477
L
H
NH2
ARG
V
185
R
H
CG2
THR
A
477
L
H
HH21
ARG
V
185
R
H
CG2
THR
A
477
L
H
HH22
ARG
V
185
R
H
CA
PHE
A
478
L
H
HH21
ARG
V
193
R
H
C
PHE
A
478
L
H
HH21
ARG
V
193
R
H
CB
PHE
A
478
L
H
HG2
GLU
V
189
R
H
CB
PHE
A
478
L
H
HH21
ARG
V
193
R
H
O
PHE
A
478
L
H
NH2
ARG
V
193
R
H
O
PHE
A
478
L
H
HH21
ARG
V
193
R
H
O
PHE
A
478
L
H
HH22
ARG
V
193
R
H
CG
PHE
A
478
L
H
HB3
GLU
V
189
R
H
CG
PHE
A
478
L
H
HG2
GLU
V
189
R
H
CG
PHE
A
478
L
H
NE
ARG
V
193
R
H
CG
PHE
A
478
L
H
NH2
ARG
V
193
R
H
CG
PHE
A
478
L
H
HE
ARG
V
193
R
H
CG
PHE
A
478
L
H
HH21
ARG
V
193
R
H
CD1
PHE
A
478
L
H
HB3
GLU
V
189
R
H
CD1
PHE
A
478
L
H
CG
ARG
V
193
R
H
CD1
PHE
A
478
L
H
NE
ARG
V
193
R
H
CD1
PHE
A
478
L
H
NH2
ARG
V
193
R
H
CD1
PHE
A
478
L
H
CZ
ARG
V
193
R
H
CD1
PHE
A
478
L
H
HG2
ARG
V
193
R
H
CD1
PHE
A
478
L
H
HG3
ARG
V
193
R
H
CD1
PHE
A
478
L
H
HE
ARG
V
193
R
H
CD1
PHE
A
478
L
H
HH21
ARG
V
193
R
H
CD2
PHE
A
478
L
H
CA
GLU
V
189
R
H
CD2
PHE
A
478
L
H
CB
GLU
V
189
R
H
CD2
PHE
A
478
L
H
CG
GLU
V
189
R
H
CD2
PHE
A
478
L
H
CD
GLU
V
189
R
H
CD2
PHE
A
478
L
H
OE1
GLU
V
189
R
H
CD2
PHE
A
478
L
H
OE2
GLU
V
189
R
H
CD2
PHE
A
478
L
H
HA
GLU
V
189
R
H
CD2
PHE
A
478
L
H
HB2
GLU
V
189
R
H
CD2
PHE
A
478
L
H
HB3
GLU
V
189
R
H
CD2
PHE
A
478
L
H
HG2
GLU
V
189
R
H
CD2
PHE
A
478
L
H
HG3
GLU
V
189
R
H
CD2
PHE
A
478
L
H
NH2
ARG
V
193
R
H
CD2
PHE
A
478
L
H
HE
ARG
V
193
R
H
CD2
PHE
A
478
L
H
HH21
ARG
V
193
R
H
CE1
PHE
A
478
L
H
O
GLU
V
189
R
H
CE1
PHE
A
478
L
H
HB3
GLU
V
189
R
H
CE1
PHE
A
478
L
H
CG
ARG
V
193
R
H
CE1
PHE
A
478
L
H
CD
ARG
V
193
R
H
CE1
PHE
A
478
L
H
NE
ARG
V
193
R
H
CE1
PHE
A
478
L
H
NH1
ARG
V
193
R
H
CE1
PHE
A
478
L
H
NH2
ARG
V
193
R
H
CE1
PHE
A
478
L
H
CZ
ARG
V
193
R
H
CE1
PHE
A
478
L
H
HG2
ARG
V
193
R
H
CE1
PHE
A
478
L
H
HG3
ARG
V
193
R
H
CE1
PHE
A
478
L
H
HD2
ARG
V
193
R
H
CE1
PHE
A
478
L
H
HD3
ARG
V
193
R
H
CE1
PHE
A
478
L
H
HE
ARG
V
193
R
H
CE1
PHE
A
478
L
H
HH21
ARG
V
193
R
H
CE1
PHE
A
478
L
H
HH22
ARG
V
193
R
H
CE2
PHE
A
478
L
H
N
GLU
V
189
R
H
CE2
PHE
A
478
L
H
CA
GLU
V
189
R
H
CE2
PHE
A
478
L
H
C
GLU
V
189
R
H
CE2
PHE
A
478
L
H
CB
GLU
V
189
R
H
CE2
PHE
A
478
L
H
O
GLU
V
189
R
H
CE2
PHE
A
478
L
H
CG
GLU
V
189
R
H
CE2
PHE
A
478
L
H
CD
GLU
V
189
R
H
CE2
PHE
A
478
L
H
OE2
GLU
V
189
R
H
CE2
PHE
A
478
L
H
HA
GLU
V
189
R
H
CE2
PHE
A
478
L
H
HB2
GLU
V
189
R
H
CE2
PHE
A
478
L
H
HB3
GLU
V
189
R
H
CE2
PHE
A
478
L
H
HG2
GLU
V
189
R
H
CE2
PHE
A
478
L
H
HG3
GLU
V
189
R
H
CE2
PHE
A
478
L
H
N
THR
V
190
R
H
CE2
PHE
A
478
L
H
NE
ARG
V
193
R
H
CE2
PHE
A
478
L
H
NH2
ARG
V
193
R
H
CE2
PHE
A
478
L
H
CZ
ARG
V
193
R
H
CE2
PHE
A
478
L
H
HG3
ARG
V
193
R
H
CE2
PHE
A
478
L
H
HE
ARG
V
193
R
H
CE2
PHE
A
478
L
H
HH21
ARG
V
193
R
H
CE2
PHE
A
478
L
H
HH22
ARG
V
193
R
H
CZ
PHE
A
478
L
H
CA
GLU
V
189
R
H
CZ
PHE
A
478
L
H
C
GLU
V
189
R
H
CZ
PHE
A
478
L
H
CB
GLU
V
189
R
H
CZ
PHE
A
478
L
H
O
GLU
V
189
R
H
CZ
PHE
A
478
L
H
CG
GLU
V
189
R
H
CZ
PHE
A
478
L
H
HA
GLU
V
189
R
H
CZ
PHE
A
478
L
H
HB2
GLU
V
189
R
H
CZ
PHE
A
478
L
H
HB3
GLU
V
189
R
H
CZ
PHE
A
478
L
H
HG2
GLU
V
189
R
H
CZ
PHE
A
478
L
H
N
THR
V
190
R
H
CZ
PHE
A
478
L
H
HA
THR
V
190
R
H
CZ
PHE
A
478
L
H
CG
ARG
V
193
R
H
CZ
PHE
A
478
L
H
CD
ARG
V
193
R
H
CZ
PHE
A
478
L
H
NE
ARG
V
193
R
H
CZ
PHE
A
478
L
H
NH1
ARG
V
193
R
H
CZ
PHE
A
478
L
H
NH2
ARG
V
193
R
H
CZ
PHE
A
478
L
H
CZ
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HG2
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HG3
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HD2
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HD3
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HE
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HH11
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HH21
ARG
V
193
R
H
CZ
PHE
A
478
L
H
HH22
ARG
V
193
R
H
CB
VAL
A
481
L
H
NH2
ARG
V
185
R
H
CB
VAL
A
481
L
H
HH21
ARG
V
185
R
H
CB
VAL
A
481
L
H
HH22
ARG
V
185
R
H
CB
VAL
A
481
L
H
OE1
GLU
V
189
R
H
CB
VAL
A
481
L
H
OE2
GLU
V
189
R
H
CG1
VAL
A
481
L
H
HH21
ARG
V
185
R
H
CG1
VAL
A
481
L
H
CD2
LEU
V
186
R
H
CG1
VAL
A
481
L
H
HD21
LEU
V
186
R
H
CG1
VAL
A
481
L
H
HD22
LEU
V
186
R
H
CG1
VAL
A
481
L
H
OE2
GLU
V
189
R
H
CG2
VAL
A
481
L
H
NH2
ARG
V
185
R
H
CG2
VAL
A
481
L
H
CZ
ARG
V
185
R
H
CG2
VAL
A
481
L
H
HE
ARG
V
185
R
H
CG2
VAL
A
481
L
H
HH21
ARG
V
185
R
H
CG2
VAL
A
481
L
H
HH22
ARG
V
185
R
H
CG2
VAL
A
481
L
H
OE1
GLU
V
189
R
-
N
GLN
A
482
L
H
HH22
ARG
V
193
R
-
CG
GLN
A
482
L
H
NE
ARG
V
193
R
-
CG
GLN
A
482
L
H
NH1
ARG
V
193
R
-
CG
GLN
A
482
L
H
NH2
ARG
V
193
R
-
CG
GLN
A
482
L
H
CZ
ARG
V
193
R
-
CG
GLN
A
482
L
H
HE
ARG
V
193
R
-
CG
GLN
A
482
L
H
HH12
ARG
V
193
R
-
CG
GLN
A
482
L
H
HH21
ARG
V
193
R
-
CG
GLN
A
482
L
H
HH22
ARG
V
193
R
-
CD
GLN
A
482
L
H
NE
ARG
V
193
R
-
CD
GLN
A
482
L
H
NH2
ARG
V
193
R
-
CD
GLN
A
482
L
H
CZ
ARG
V
193
R
-
CD
GLN
A
482
L
H
HD2
ARG
V
193
R
-
CD
GLN
A
482
L
H
HE
ARG
V
193
R
-
NE2
GLN
A
482
L
H
CD
ARG
V
193
R
-
NE2
GLN
A
482
L
H
NE
ARG
V
193
R
-
NE2
GLN
A
482
L
H
NH1
ARG
V
193
R
-
NE2
GLN
A
482
L
H
NH2
ARG
V
193
R
-
NE2
GLN
A
482
L
H
CZ
ARG
V
193
R
-
NE2
GLN
A
482
L
H
HG2
ARG
V
193
R
-
NE2
GLN
A
482
L
H
HD2
ARG
V
193
R
-
NE2
GLN
A
482
L
H
HE
ARG
V
193
R
-
NE2
GLN
A
482
L
H
HH11
ARG
V
193
R
-
NE2
GLN
A
482
L
H
HH21
ARG
V
193
R
-
NE2
GLN
A
488
L
H
CD
GLU
V
101
R
-
NE2
GLN
A
488
L
H
OE1
GLU
V
101
R
-
NE2
GLN
A
488
L
H
HG2
GLU
V
101
R
-
CD2
LEU
A
491
L
H
HA
GLN
V
105
R
-
CD2
LEU
A
491
L
H
HG3
GLN
V
105
R
-
CD2
LEU
A
491
L
H
CB
ALA
V
108
R
-
CD2
LEU
A
491
L
H
HB1
ALA
V
108
R
-
CD2
LEU
A
491
L
H
HB2
ALA
V
108
R
-
CD2
LEU
A
491
L
H
HB3
ALA
V
108
R
-
CA
PRO
A
492
L
H
HE21
GLN
V
64
R
-
C
PRO
A
492
L
H
NH1
ARG
V
112
R
-
C
PRO
A
492
L
H
HH11
ARG
V
112
R
-
C
PRO
A
492
L
H
HH12
ARG
V
112
R
-
CB
PRO
A
492
L
H
NE2
GLN
V
64
R
-
CB
PRO
A
492
L
H
HG3
GLN
V
64
R
-
CB
PRO
A
492
L
H
HE21
GLN
V
64
R
-
O
PRO
A
492
L
H
NH1
ARG
V
112
R
-
O
PRO
A
492
L
H
HH11
ARG
V
112
R
-
O
PRO
A
492
L
H
HH12
ARG
V
112
R
-
CG
PRO
A
492
L
H
HE21
GLN
V
64
R
-
CD
PRO
A
492
L
H
HB3
GLN
V
105
R
-
N
GLY
A
493
L
H
NH1
ARG
V
112
R
-
N
GLY
A
493
L
H
HH11
ARG
V
112
R
-
N
GLY
A
493
L
H
HH12
ARG
V
112
R
-
CA
GLY
A
493
L
H
NH1
ARG
V
112
R
-
CA
GLY
A
493
L
H
NH2
ARG
V
112
R
-
CA
GLY
A
493
L
H
CZ
ARG
V
112
R
-
CA
GLY
A
493
L
H
HH11
ARG
V
112
R
-
CA
GLY
A
493
L
H
HH12
ARG
V
112
R
-
CA
GLY
A
493
L
H
HH22
ARG
V
112
R
-
C
GLY
A
493
L
H
NH1
ARG
V
112
R
-
C
GLY
A
493
L
H
HH11
ARG
V
112
R
-
C
GLY
A
493
L
H
HH12
ARG
V
112
R
-
O
GLY
A
493
L
H
NH1
ARG
V
112
R
-
O
GLY
A
493
L
H
HH12
ARG
V
112
R
H
N
SER
A
494
L
H
HH12
ARG
V
112
R
H
NH2
ARG
A
496
L
H
CB
PRO
V
61
R
H
NH2
ARG
A
496
L
H
CG
PRO
V
61
R
H
NH2
ARG
A
496
L
H
HB2
PRO
V
61
R
H
NH2
ARG
A
496
L
H
HB3
PRO
V
61
R
H
NH2
ARG
A
496
L
H
HG2
PRO
V
61
R
H
CZ
ARG
A
496
L
H
HB3
PRO
V
61
R
-
O
ILE
A
517
L
H
NZ
LYS
V
200
R
-
O
ILE
A
517
L
H
HZ3
LYS
V
200
R
-
CA
SER
A
518
L
-
HE1
TRP
V
227
R
-
C
SER
A
518
L
-
HE1
TRP
V
227
R
-
CB
SER
A
518
L
-
HE1
TRP
V
227
R
-
OG
SER
A
518
L
-
HE1
TRP
V
227
R
-
N
GLY
A
519
L
-
O
GLY
V
225
R
-
N
GLY
A
519
L
-
HE1
TRP
V
227
R
-
CA
GLY
A
519
L
-
O
GLY
V
225
R
-
C
GLY
A
519
L
-
O
GLY
V
225
R
-
C
GLY
A
519
L
-
HD1
TRP
V
227
R
-
O
GLY
A
519
L
-
O
GLY
V
225
R
-
O
GLY
A
519
L
-
HA
ARG
V
226
R
-
O
GLY
A
519
L
-
CD1
TRP
V
227
R
-
O
GLY
A
519
L
-
HD1
TRP
V
227
R
-
O
GLY
A
519
L
-
HE1
TRP
V
227
R
-
CA
THR
A
520
L
-
HB3
ASP
V
253
R
-
C
THR
A
520
L
-
CB
ASP
V
253
R
-
C
THR
A
520
L
-
CG
ASP
V
253
R
-
C
THR
A
520
L
-
OD2
ASP
V
253
R
-
C
THR
A
520
L
-
HB2
ASP
V
253
R
-
C
THR
A
520
L
-
HB3
ASP
V
253
R
-
O
THR
A
520
L
-
HG1
THR
V
252
R
-
O
THR
A
520
L
-
N
ASP
V
253
R
-
O
THR
A
520
L
-
CA
ASP
V
253
R
-
O
THR
A
520
L
-
CB
ASP
V
253
R
-
O
THR
A
520
L
-
CG
ASP
V
253
R
-
O
THR
A
520
L
-
OD1
ASP
V
253
R
-
O
THR
A
520
L
-
OD2
ASP
V
253
R
-
O
THR
A
520
L
-
H
ASP
V
253
R
-
O
THR
A
520
L
-
HA
ASP
V
253
R
-
O
THR
A
520
L
-
HB2
ASP
V
253
R
-
O
THR
A
520
L
-
HB3
ASP
V
253
R
-
O
THR
A
520
L
H
OE1
GLN
V
333
R
-
O
THR
A
520
L
H
HE22
GLN
V
333
R
-
N
GLY
A
521
L
-
CB
ASP
V
253
R
-
N
GLY
A
521
L
-
CG
ASP
V
253
R
-
N
GLY
A
521
L
-
OD2
ASP
V
253
R
-
N
GLY
A
521
L
-
HB2
ASP
V
253
R
-
N
GLY
A
521
L
-
HB3
ASP
V
253
R
-
CA
GLY
A
521
L
-
CB
ASP
V
253
R
-
CA
GLY
A
521
L
-
CG
ASP
V
253
R
-
CA
GLY
A
521
L
-
OD2
ASP
V
253
R
-
CA
GLY
A
521
L
-
HB2
ASP
V
253
R
-
CA
GLY
A
521
L
-
HB3
ASP
V
253
R
-
C
GLY
A
521
L
-
NH2
ARG
V
226
R
-
C
GLY
A
521
L
-
HG3
ARG
V
226
R
-
C
GLY
A
521
L
-
HE
ARG
V
226
R
-
C
GLY
A
521
L
-
HH21
ARG
V
226
R
-
C
GLY
A
521
L
-
CG
ASP
V
253
R
-
C
GLY
A
521
L
-
OD2
ASP
V
253
R
-
C
GLY
A
521
L
-
HB2
ASP
V
253
R
-
O
GLY
A
521
L
-
CG
ARG
V
226
R
-
O
GLY
A
521
L
-
NE
ARG
V
226
R
-
O
GLY
A
521
L
-
NH2
ARG
V
226
R
-
O
GLY
A
521
L
-
CZ
ARG
V
226
R
-
O
GLY
A
521
L
-
HG3
ARG
V
226
R
-
O
GLY
A
521
L
-
HE
ARG
V
226
R
-
O
GLY
A
521
L
-
HH21
ARG
V
226
R
-
O
GLY
A
521
L
-
CG
ASP
V
253
R
-
O
GLY
A
521
L
-
OD2
ASP
V
253
R
-
N
THR
A
522
L
-
NE
ARG
V
226
R
-
N
THR
A
522
L
-
NH2
ARG
V
226
R
-
N
THR
A
522
L
-
CZ
ARG
V
226
R
-
N
THR
A
522
L
-
HE
ARG
V
226
R
-
N
THR
A
522
L
-
HH21
ARG
V
226
R
-
N
THR
A
522
L
-
HH22
ARG
V
226
R
-
N
THR
A
522
L
-
CG
ASP
V
253
R
-
N
THR
A
522
L
-
OD2
ASP
V
253
R
-
N
THR
A
522
L
-
HB2
ASP
V
253
R
-
N
THR
A
522
L
S
HG21
VAL
V
254
R
-
N
THR
A
522
L
S
HG22
VAL
V
254
R
-
CA
THR
A
522
L
-
NE
ARG
V
226
R
-
CA
THR
A
522
L
-
NH1
ARG
V
226
R
-
CA
THR
A
522
L
-
NH2
ARG
V
226
R
-
CA
THR
A
522
L
-
CZ
ARG
V
226
R
-
CA
THR
A
522
L
-
HE
ARG
V
226
R
-
CA
THR
A
522
L
-
HH21
ARG
V
226
R
-
CA
THR
A
522
L
-
HH22
ARG
V
226
R
-
CA
THR
A
522
L
-
OD2
ASP
V
253
R
-
CA
THR
A
522
L
S
HG22
VAL
V
254
R
-
C
THR
A
522
L
-
NE
ARG
V
226
R
-
C
THR
A
522
L
-
NH1
ARG
V
226
R
-
C
THR
A
522
L
-
NH2
ARG
V
226
R
-
C
THR
A
522
L
-
CZ
ARG
V
226
R
-
C
THR
A
522
L
-
HE
ARG
V
226
R
-
C
THR
A
522
L
-
HH12
ARG
V
226
R
-
C
THR
A
522
L
-
HH21
ARG
V
226
R
-
C
THR
A
522
L
-
HH22
ARG
V
226
R
-
CB
THR
A
522
L
-
NH2
ARG
V
226
R
-
CB
THR
A
522
L
-
CZ
ARG
V
226
R
-
CB
THR
A
522
L
-
HE
ARG
V
226
R
-
CB
THR
A
522
L
-
HH21
ARG
V
226
R
-
CB
THR
A
522
L
-
HH22
ARG
V
226
R
-
CB
THR
A
522
L
S
HG22
VAL
V
254
R
-
O
THR
A
522
L
-
NH2
ARG
V
226
R
-
O
THR
A
522
L
-
HH21
ARG
V
226
R
-
O
THR
A
522
L
-
HH22
ARG
V
226
R
-
CG2
THR
A
522
L
-
NE
ARG
V
226
R
-
CG2
THR
A
522
L
-
NH1
ARG
V
226
R
-
CG2
THR
A
522
L
-
NH2
ARG
V
226
R
-
CG2
THR
A
522
L
-
CZ
ARG
V
226
R
-
CG2
THR
A
522
L
-
HE
ARG
V
226
R
-
CG2
THR
A
522
L
-
HH12
ARG
V
226
R
-
CG2
THR
A
522
L
-
HH21
ARG
V
226
R
-
CG2
THR
A
522
L
-
HH22
ARG
V
226
R
-
CG2
THR
A
522
L
S
HG22
VAL
V
254
R
-
CG2
THR
A
522
L
S
CD1
LEU
V
277
R
-
CG2
THR
A
522
L
S
HD12
LEU
V
277
R
-
OG1
THR
A
522
L
-
NH2
ARG
V
226
R
-
OG1
THR
A
522
L
-
HE
ARG
V
226
R
-
OG1
THR
A
522
L
-
HH21
ARG
V
226
R
-
OG1
THR
A
522
L
-
HH22
ARG
V
226
R
-
OG1
THR
A
522
L
-
OD2
ASP
V
253
R
-
OG1
THR
A
522
L
S
CG2
VAL
V
254
R
-
OG1
THR
A
522
L
S
HG21
VAL
V
254
R
-
OG1
THR
A
522
L
S
HG22
VAL
V
254
R
-
OG1
THR
A
522
L
S
HG23
VAL
V
254
R
-
N
LEU
A
523
L
-
NE
ARG
V
226
R
-
N
LEU
A
523
L
-
NH1
ARG
V
226
R
-
N
LEU
A
523
L
-
NH2
ARG
V
226
R
-
N
LEU
A
523
L
-
CZ
ARG
V
226
R
-
N
LEU
A
523
L
-
HG2
ARG
V
226
R
-
N
LEU
A
523
L
-
HE
ARG
V
226
R
-
N
LEU
A
523
L
-
HH11
ARG
V
226
R
-
N
LEU
A
523
L
-
HH12
ARG
V
226
R
-
N
LEU
A
523
L
-
HH21
ARG
V
226
R
-
N
LEU
A
523
L
-
HH22
ARG
V
226
R
-
CA
LEU
A
523
L
-
O
GLY
V
221
R
-
CA
LEU
A
523
L
-
O
SER
V
224
R
-
CA
LEU
A
523
L
-
HB3
SER
V
224
R
-
CA
LEU
A
523
L
-
NH1
ARG
V
226
R
-
CA
LEU
A
523
L
-
NH2
ARG
V
226
R
-
CA
LEU
A
523
L
-
CZ
ARG
V
226
R
-
CA
LEU
A
523
L
-
HH12
ARG
V
226
R
-
CA
LEU
A
523
L
-
HH21
ARG
V
226
R
-
CA
LEU
A
523
L
-
HH22
ARG
V
226
R
-
C
LEU
A
523
L
-
O
SER
V
224
R
-
C
LEU
A
523
L
-
HB3
SER
V
224
R
-
CB
LEU
A
523
L
-
O
GLY
V
221
R
-
CB
LEU
A
523
L
-
HH12
ARG
V
226
R
-
CB
LEU
A
523
L
-
HH22
ARG
V
226
R
-
O
LEU
A
523
L
-
O
SER
V
224
R
-
O
LEU
A
523
L
-
HB3
SER
V
224
R
-
CG
LEU
A
523
L
-
C
GLY
V
221
R
-
CG
LEU
A
523
L
-
O
GLY
V
221
R
-
CG
LEU
A
523
L
-
NH1
ARG
V
226
R
-
CG
LEU
A
523
L
-
NH2
ARG
V
226
R
-
CG
LEU
A
523
L
-
HH12
ARG
V
226
R
-
CG
LEU
A
523
L
-
HH22
ARG
V
226
R
-
CD2
LEU
A
523
L
-
CA
GLY
V
221
R
-
CD2
LEU
A
523
L
-
C
GLY
V
221
R
-
CD2
LEU
A
523
L
-
O
GLY
V
221
R
-
CD2
LEU
A
523
L
-
HA2
GLY
V
221
R
-
CD2
LEU
A
523
L
-
HA3
GLY
V
221
R
-
CD2
LEU
A
523
L
-
N
LEU
V
222
R
-
CD2
LEU
A
523
L
-
CA
LEU
V
222
R
-
CD2
LEU
A
523
L
-
HA
LEU
V
222
R
-
CD2
LEU
A
523
L
-
HD21
LEU
V
222
R
-
CD2
LEU
A
523
L
-
NH1
ARG
V
226
R
-
CD2
LEU
A
523
L
-
HH12
ARG
V
226
R
-
CD2
LEU
A
523
L
-
HH22
ARG
V
226
R
-
N
ASP
A
524
L
-
O
SER
V
224
R
-
CA
ASP
A
524
L
-
O
SER
V
224
R
-
CA
ASP
A
524
L
-
HA3
GLY
V
225
R
-
C
ASP
A
524
L
-
C
SER
V
224
R
-
C
ASP
A
524
L
-
O
SER
V
224
R
-
C
ASP
A
524
L
-
N
GLY
V
225
R
-
C
ASP
A
524
L
-
CA
GLY
V
225
R
-
C
ASP
A
524
L
-
C
GLY
V
225
R
-
C
ASP
A
524
L
-
O
GLY
V
225
R
-
C
ASP
A
524
L
-
HA2
GLY
V
225
R
-
C
ASP
A
524
L
-
HA3
GLY
V
225
R
-
O
ASP
A
524
L
-
C
SER
V
224
R
-
O
ASP
A
524
L
-
O
SER
V
224
R
-
O
ASP
A
524
L
-
N
GLY
V
225
R
-
O
ASP
A
524
L
-
CA
GLY
V
225
R
-
O
ASP
A
524
L
-
C
GLY
V
225
R
-
O
ASP
A
524
L
-
O
GLY
V
225
R
-
O
ASP
A
524
L
-
H
GLY
V
225
R
-
O
ASP
A
524
L
-
HA2
GLY
V
225
R
-
O
ASP
A
524
L
-
HA3
GLY
V
225
R
-
O
ASP
A
524
L
-
N
ARG
V
226
R
-
O
ASP
A
524
L
-
H
ARG
V
226
R
-
O
ASP
A
524
L
-
HG2
ARG
V
226
R
-
N
LEU
A
525
L
-
O
SER
V
224
R
-
N
LEU
A
525
L
-
CA
GLY
V
225
R
-
N
LEU
A
525
L
-
HA2
GLY
V
225
R
-
N
LEU
A
525
L
-
HA3
GLY
V
225
R
-
CA
LEU
A
525
L
-
N
GLY
V
225
R
-
CA
LEU
A
525
L
-
CA
GLY
V
225
R
-
CA
LEU
A
525
L
-
H
GLY
V
225
R
-
CA
LEU
A
525
L
-
HA2
GLY
V
225
R
-
CA
LEU
A
525
L
-
HA3
GLY
V
225
R
-
C
LEU
A
525
L
-
CA
GLY
V
225
R
-
C
LEU
A
525
L
-
C
GLY
V
225
R
-
C
LEU
A
525
L
-
O
GLY
V
225
R
-
C
LEU
A
525
L
-
HA2
GLY
V
225
R
-
C
LEU
A
525
L
-
HA3
GLY
V
225
R
-
CB
LEU
A
525
L
-
HA2
GLY
V
225
R
-
CB
LEU
A
525
L
-
HA3
GLY
V
225
R
-
O
LEU
A
525
L
-
HA2
GLY
V
225
R
-
O
LEU
A
525
L
-
HA3
GLY
V
225
R
-
CG
LEU
A
525
L
-
OG
SER
V
224
R
-
CG
LEU
A
525
L
-
HG
SER
V
224
R
-
CG
LEU
A
525
L
-
HA3
GLY
V
225
R
-
CD1
LEU
A
525
L
-
OG
SER
V
224
R
-
CD1
LEU
A
525
L
-
HG
SER
V
224
R
-
CD2
LEU
A
525
L
-
CA
SER
V
224
R
-
CD2
LEU
A
525
L
-
C
SER
V
224
R
-
CD2
LEU
A
525
L
-
CB
SER
V
224
R
-
CD2
LEU
A
525
L
-
OG
SER
V
224
R
-
CD2
LEU
A
525
L
-
HA
SER
V
224
R
-
CD2
LEU
A
525
L
-
HB2
SER
V
224
R
-
CD2
LEU
A
525
L
-
HB3
SER
V
224
R
-
CD2
LEU
A
525
L
-
HG
SER
V
224
R
-
CD2
LEU
A
525
L
-
N
GLY
V
225
R
-
CD2
LEU
A
525
L
-
H
GLY
V
225
R
-
CD2
LEU
A
525
L
-
HA3
GLY
V
225
R
-
N
THR
A
526
L
-
N
GLY
V
225
R
-
N
THR
A
526
L
-
CA
GLY
V
225
R
-
N
THR
A
526
L
-
C
GLY
V
225
R
-
N
THR
A
526
L
-
O
GLY
V
225
R
-
N
THR
A
526
L
-
HA2
GLY
V
225
R
-
N
THR
A
526
L
-
HA3
GLY
V
225
R
-
CA
THR
A
526
L
H
CE
LYS
V
200
R
-
CA
THR
A
526
L
H
NZ
LYS
V
200
R
-
CA
THR
A
526
L
H
HE2
LYS
V
200
R
-
CA
THR
A
526
L
H
HZ1
LYS
V
200
R
-
CA
THR
A
526
L
H
HZ3
LYS
V
200
R
-
CA
THR
A
526
L
-
HA2
GLY
V
225
R
-
C
THR
A
526
L
H
CE
LYS
V
200
R
-
C
THR
A
526
L
H
NZ
LYS
V
200
R
-
C
THR
A
526
L
H
HE2
LYS
V
200
R
-
C
THR
A
526
L
H
HE3
LYS
V
200
R
-
C
THR
A
526
L
H
HZ1
LYS
V
200
R
-
C
THR
A
526
L
H
HZ2
LYS
V
200
R
-
C
THR
A
526
L
H
HZ3
LYS
V
200
R
-
CB
THR
A
526
L
H
CE
LYS
V
200
R
-
CB
THR
A
526
L
H
HG3
LYS
V
200
R
-
CB
THR
A
526
L
H
HE2
LYS
V
200
R
-
CB
THR
A
526
L
H
HZ3
LYS
V
200
R
-
CB
THR
A
526
L
-
O
GLY
V
225
R
-
CB
THR
A
526
L
-
HA2
GLY
V
225
R
-
O
THR
A
526
L
H
CE
LYS
V
200
R
-
O
THR
A
526
L
H
NZ
LYS
V
200
R
-
O
THR
A
526
L
H
HE2
LYS
V
200
R
-
O
THR
A
526
L
H
HE3
LYS
V
200
R
-
O
THR
A
526
L
H
HZ1
LYS
V
200
R
-
O
THR
A
526
L
H
HZ2
LYS
V
200
R
-
O
THR
A
526
L
H
HZ3
LYS
V
200
R
-
CG2
THR
A
526
L
H
CG
LYS
V
200
R
-
CG2
THR
A
526
L
H
CD
LYS
V
200
R
-
CG2
THR
A
526
L
H
CE
LYS
V
200
R
-
CG2
THR
A
526
L
H
NZ
LYS
V
200
R
-
CG2
THR
A
526
L
H
HG3
LYS
V
200
R
-
CG2
THR
A
526
L
H
HD2
LYS
V
200
R
-
CG2
THR
A
526
L
H
HE2
LYS
V
200
R
-
CG2
THR
A
526
L
H
HE3
LYS
V
200
R
-
CG2
THR
A
526
L
H
HZ1
LYS
V
200
R
-
CG2
THR
A
526
L
H
HZ3
LYS
V
200
R
-
CG2
THR
A
526
L
-
HZ2
TRP
V
227
R
-
CG2
THR
A
526
L
-
HE1
TRP
V
227
R
-
OG1
THR
A
526
L
H
HE2
LYS
V
200
R
-
OG1
THR
A
526
L
-
CA
GLY
V
225
R
-
OG1
THR
A
526
L
-
C
GLY
V
225
R
-
OG1
THR
A
526
L
-
O
GLY
V
225
R
-
OG1
THR
A
526
L
-
HA2
GLY
V
225
R
-
OG1
THR
A
526
L
-
NE1
TRP
V
227
R
-
OG1
THR
A
526
L
-
HE1
TRP
V
227
R
-
N
LEU
A
527
L
H
CE
LYS
V
200
R
-
N
LEU
A
527
L
H
NZ
LYS
V
200
R
-
N
LEU
A
527
L
H
HE2
LYS
V
200
R
-
N
LEU
A
527
L
H
HE3
LYS
V
200
R
-
N
LEU
A
527
L
H
HZ1
LYS
V
200
R
-
N
LEU
A
527
L
H
HZ2
LYS
V
200
R
-
N
LEU
A
527
L
H
HZ3
LYS
V
200
R
-
CA
LEU
A
527
L
H
CE
LYS
V
200
R
-
CA
LEU
A
527
L
H
NZ
LYS
V
200
R
-
CA
LEU
A
527
L
H
HE2
LYS
V
200
R
-
CA
LEU
A
527
L
H
HE3
LYS
V
200
R
-
CA
LEU
A
527
L
H
HZ1
LYS
V
200
R
-
CA
LEU
A
527
L
H
HZ2
LYS
V
200
R
-
CA
LEU
A
527
L
H
HZ3
LYS
V
200
R
-
C
LEU
A
527
L
H
CE
LYS
V
200
R
-
C
LEU
A
527
L
H
NZ
LYS
V
200
R
-
C
LEU
A
527
L
H
HZ1
LYS
V
200
R
-
C
LEU
A
527
L
H
HZ2
LYS
V
200
R
-
C
LEU
A
527
L
H
HZ3
LYS
V
200
R
-
CB
LEU
A
527
L
H
NZ
LYS
V
200
R
-
CB
LEU
A
527
L
H
HZ1
LYS
V
200
R
-
O
LEU
A
527
L
H
NZ
LYS
V
200
R
-
O
LEU
A
527
L
H
HZ1
LYS
V
200
R
-
O
LEU
A
527
L
H
HZ2
LYS
V
200
R
-
O
LEU
A
527
L
H
HZ3
LYS
V
200
R
-
CG
LEU
A
527
L
H
HZ1
LYS
V
200
R
-
CD2
LEU
A
527
L
H
HZ1
LYS
V
200
R
-
N
PRO
A
528
L
H
CE
LYS
V
200
R
-
N
PRO
A
528
L
H
NZ
LYS
V
200
R
-
N
PRO
A
528
L
H
HZ1
LYS
V
200
R
-
N
PRO
A
528
L
H
HZ2
LYS
V
200
R
-
N
PRO
A
528
L
H
HZ3
LYS
V
200
R
-
CA
PRO
A
528
L
H
NZ
LYS
V
200
R
-
CA
PRO
A
528
L
H
HZ1
LYS
V
200
R
-
CA
PRO
A
528
L
H
HZ2
LYS
V
200
R
-
CA
PRO
A
528
L
H
HZ3
LYS
V
200
R
-
CB
PRO
A
528
L
H
HZ2
LYS
V
200
R
-
CG
PRO
A
528
L
H
NZ
LYS
V
200
R
-
CG
PRO
A
528
L
H
HZ2
LYS
V
200
R
-
CD
PRO
A
528
L
H
CE
LYS
V
200
R
-
CD
PRO
A
528
L
H
NZ
LYS
V
200
R
-
CD
PRO
A
528
L
H
HD3
LYS
V
200
R
-
CD
PRO
A
528
L
H
HE3
LYS
V
200
R
-
CD
PRO
A
528
L
H
HZ1
LYS
V
200
R
-
CD
PRO
A
528
L
H
HZ2
LYS
V
200
R
-
CD
PRO
A
528
L
H
HZ3
LYS
V
200
R
-
C
HIS
A
555
L
-
HG
SER
V
224
R
-
CB
HIS
A
555
L
-
OG
SER
V
224
R
-
CB
HIS
A
555
L
-
HG
SER
V
224
R
-
CE1
HIS
A
555
L
H
HG2
ARG
V
208
R
-
NE2
HIS
A
555
L
H
HG2
ARG
V
208
R
-
NE2
HIS
A
555
L
H
HG3
ARG
V
208
R
-
NE2
HIS
A
555
L
H
HD3
ARG
V
208
R
S
N
ARG
A
556
L
-
HG
SER
V
224
R
S
CA
ARG
A
556
L
-
HG
SER
V
224
R
S
C
ARG
A
556
L
-
OG
SER
V
224
R
S
C
ARG
A
556
L
-
HG
SER
V
224
R
S
CB
ARG
A
556
L
-
HE2
LYS
V
220
R
S
O
ARG
A
556
L
-
HA2
GLY
V
221
R
S
O
ARG
A
556
L
-
HA3
GLY
V
221
R
S
O
ARG
A
556
L
-
CB
SER
V
224
R
S
O
ARG
A
556
L
-
OG
SER
V
224
R
S
O
ARG
A
556
L
-
HB2
SER
V
224
R
S
O
ARG
A
556
L
-
HB3
SER
V
224
R
S
O
ARG
A
556
L
-
HG
SER
V
224
R
S
CG
ARG
A
556
L
-
HE2
LYS
V
220
R
S
CD
ARG
A
556
L
-
NZ
LYS
V
220
R
S
CD
ARG
A
556
L
-
HE2
LYS
V
220
R
S
CD
ARG
A
556
L
-
HZ1
LYS
V
220
R
S
CD
ARG
A
556
L
-
HZ2
LYS
V
220
R
S
NE
ARG
A
556
L
-
NZ
LYS
V
220
R
S
NE
ARG
A
556
L
-
HZ1
LYS
V
220
R
S
NH1
ARG
A
556
L
-
NZ
LYS
V
220
R
S
NH1
ARG
A
556
L
-
HZ1
LYS
V
220
R
S
NH1
ARG
A
556
L
-
HZ2
LYS
V
220
R
S
NH1
ARG
A
556
L
-
HZ3
LYS
V
220
R
S
NH2
ARG
A
556
L
-
HZ1
LYS
V
220
R
S
CZ
ARG
A
556
L
-
NZ
LYS
V
220
R
S
CZ
ARG
A
556
L
-
HZ1
LYS
V
220
R
S
CZ
ARG
A
556
L
-
HZ2
LYS
V
220
R
S
N
GLY
A
557
L
-
HG
SER
V
224
R
S
CA
GLY
A
557
L
-
HG
SER
V
224
R
-
CA
THR
A
590
L
-
HA3
GLY
V
56
R
-
C
THR
A
590
L
-
HA3
GLY
V
56
R
-
CB
THR
A
590
L
-
CA
GLY
V
56
R
-
CB
THR
A
590
L
-
O
GLY
V
56
R
-
CB
THR
A
590
L
-
HA2
GLY
V
56
R
-
CB
THR
A
590
L
-
HA3
GLY
V
56
R
-
CG2
THR
A
590
L
-
N
GLY
V
56
R
-
CG2
THR
A
590
L
-
CA
GLY
V
56
R
-
CG2
THR
A
590
L
-
HA2
GLY
V
56
R
-
CG2
THR
A
590
L
-
HA3
GLY
V
56
R
-
CG2
THR
A
590
L
H
HH12
ARG
V
63
R
-
OG1
THR
A
590
L
-
HA
ARG
V
59
R
-
OG1
THR
A
590
L
H
HD2
PRO
V
60
R
-
N
PRO
A
591
L
-
HA3
GLY
V
56
R
-
O
PRO
A
591
L
-
O
GLY
V
56
R
-
CD
PRO
A
591
L
H
O
LYS
V
55
R
-
CD
PRO
A
591
L
-
CA
GLY
V
56
R
-
CD
PRO
A
591
L
-
HA3
GLY
V
56
R
-
OE1
GLU
A
592
L
-
NH1
ARG
V
59
R
-
OE1
GLU
A
592
L
-
HD3
ARG
V
59
R
-
OE1
GLU
A
592
L
-
HH11
ARG
V
59