A1IGU5_Q96MF2.1
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
LEU
A
235
L
-
LYS
V
242
R
H
LYS
A
334
L
-
PRO
V
221
R
H
ARG
A
457
L
-
ASP
V
198
R
-
THR
A
522
L
-
PRO
V
100
R
-
LEU
A
523
L
-
PRO
V
100
R
-
THR
A
541
L
-
LYS
V
115
R
-
THR
A
541
L
S
PHE
V
96
R
-
THR
A
541
L
-
LYS
V
98
R
S
TYR
A
558
L
-
LYS
V
115
R
-
GLU
A
592
L
H
GLN
V
24
R
-
PRO
A
593
L
-
THR
V
18
R
-
SER
A
594
L
-
GLU
V
17
R
-
SER
A
594
L
-
THR
V
18
R
-
PRO
A
595
L
-
GLU
V
17
R
-
PRO
A
595
L
-
THR
V
18
R
-
PRO
A
595
L
H
SER
V
21
R
-
ALA
A
596
L
-
GLU
V
17
R
-
LEU
A
597
L
-
GLU
V
262
R
-
VAL
A
598
L
-
ASP
V
264
R
-
VAL
A
598
L
S
PHE
V
295
R
-
PRO
A
599
L
-
ASP
V
264
R
-
PRO
A
599
L
S
ARG
V
286
R
-
PRO
A
599
L
S
PHE
V
295
R
-
SER
A
600
L
-
ASP
V
264
R
-
SER
A
600
L
S
ARG
V
286
R
-
SER
A
600
L
S
GLY
V
294
R
-
SER
A
600
L
S
PHE
V
295
R
-
ILE
A
601
L
S
ARG
V
286
R
-
ILE
A
601
L
S
VAL
V
293
R
-
PRO
A
602
L
S
ILE
V
277
R
-
PRO
A
602
L
S
VAL
V
293
R
-
THR
A
603
L
S
ILE
V
277
R
-
THR
A
603
L
S
ARG
V
286
R
-
THR
A
603
L
S
LYS
V
288
R
-
THR
A
603
L
S
VAL
V
293
R
-
MET
A
604
L
S
ILE
V
277
R
-
MET
A
604
L
S
LYS
V
288
R
-
MET
A
604
L
-
GLY
V
290
R
-
MET
A
604
L
-
GLU
V
291
R
-
ASN
A
605
L
S
ILE
V
277
R
-
TYR
A
611
L
-
LYS
V
242
R
S
GLU
A
633
L
-
LYS
V
273
R
-
ALA
A
634
L
-
GLN
V
248
R
-
GLN
A
635
L
S
TYR
V
251
R
-
GLN
A
635
L
-
ALA
V
306
R
-
GLN
A
635
L
-
GLY
V
307
R
-
LYS
A
638
L
-
GLY
V
307
R
-
GLY
A
639
L
-
ALA
V
306
R
-
GLY
A
639
L
-
GLY
V
307
R
-
PRO
A
641
L
-
GLN
V
247
R
-
PRO
A
641
L
-
ALA
V
306
R
H
SER
A
657
L
-
GLN
V
247
R
H
GLY
A
658
L
-
GLN
V
247
R
S
ALA
A
661
L
-
LYS
V
242
R
S
ARG
A
662
L
-
GLN
V
243
R
S
ARG
A
662
L
-
PRO
V
244
R
S
ARG
A
662
L
-
GLY
V
245
R
S
ARG
A
662
L
-
PHE
V
246
R
S
ARG
A
662
L
-
GLN
V
248
R
-
ALA
A
663
L
-
GLN
V
243
R
-
ARG
A
664
L
-
LYS
V
240
R
-
ARG
A
664
L
-
HIS
V
241
R
-
ARG
A
664
L
-
LYS
V
242
R
-
ARG
A
664
L
-
GLN
V
243
R
-
SER
A
665
L
-
GLN
V
243
R
-
GLY
A
670
L
-
LYS
V
11
R
-
TRP
A
671
L
-
LYS
V
11
A1IGU5_Q96MF2.1
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
CD2
LEU
A
235
L
-
HZ3
LYS
V
242
R
H
CE
LYS
A
334
L
-
HG2
PRO
V
221
R
H
CE
LYS
A
334
L
-
HG3
PRO
V
221
R
H
NZ
LYS
A
334
L
-
CG
PRO
V
221
R
H
NZ
LYS
A
334
L
-
HG2
PRO
V
221
R
H
NZ
LYS
A
334
L
-
HG3
PRO
V
221
R
H
NH1
ARG
A
457
L
-
CB
ASP
V
198
R
H
NH1
ARG
A
457
L
-
CG
ASP
V
198
R
H
NH1
ARG
A
457
L
-
OD1
ASP
V
198
R
H
NH1
ARG
A
457
L
-
OD2
ASP
V
198
R
H
NH1
ARG
A
457
L
-
HB2
ASP
V
198
R
H
NH1
ARG
A
457
L
-
HB3
ASP
V
198
R
H
NH2
ARG
A
457
L
-
CB
ASP
V
198
R
H
NH2
ARG
A
457
L
-
HB2
ASP
V
198
R
H
NH2
ARG
A
457
L
-
HB3
ASP
V
198
R
H
CZ
ARG
A
457
L
-
CB
ASP
V
198
R
H
CZ
ARG
A
457
L
-
HB2
ASP
V
198
R
H
CZ
ARG
A
457
L
-
HB3
ASP
V
198
R
-
CB
THR
A
522
L
-
HG3
PRO
V
100
R
-
CG2
THR
A
522
L
-
CG
PRO
V
100
R
-
CG2
THR
A
522
L
-
HG3
PRO
V
100
R
-
CG2
THR
A
522
L
-
HD3
PRO
V
100
R
-
CG
LEU
A
523
L
-
CG
PRO
V
100
R
-
CG
LEU
A
523
L
-
HG2
PRO
V
100
R
-
CG
LEU
A
523
L
-
HG3
PRO
V
100
R
-
CD1
LEU
A
523
L
-
CG
PRO
V
100
R
-
CD1
LEU
A
523
L
-
HG2
PRO
V
100
R
-
CD1
LEU
A
523
L
-
HG3
PRO
V
100
R
-
CD2
LEU
A
523
L
-
HG2
PRO
V
100
R
-
CB
THR
A
541
L
-
O
LYS
V
98
R
-
CB
THR
A
541
L
-
HA
LYS
V
98
R
-
CB
THR
A
541
L
-
NZ
LYS
V
115
R
-
CB
THR
A
541
L
-
HZ2
LYS
V
115
R
-
CG2
THR
A
541
L
S
HE1
PHE
V
96
R
-
CG2
THR
A
541
L
S
HZ
PHE
V
96
R
-
CG2
THR
A
541
L
-
O
LYS
V
98
R
-
CG2
THR
A
541
L
-
HA
LYS
V
98
R
-
CG2
THR
A
541
L
-
CD
LYS
V
115
R
-
CG2
THR
A
541
L
-
CE
LYS
V
115
R
-
CG2
THR
A
541
L
-
NZ
LYS
V
115
R
-
CG2
THR
A
541
L
-
HD3
LYS
V
115
R
-
CG2
THR
A
541
L
-
HE3
LYS
V
115
R
-
CG2
THR
A
541
L
-
HZ1
LYS
V
115
R
-
CG2
THR
A
541
L
-
HZ2
LYS
V
115
R
-
CG2
THR
A
541
L
-
HZ3
LYS
V
115
R
-
OG1
THR
A
541
L
-
O
LYS
V
98
R
-
OG1
THR
A
541
L
-
NZ
LYS
V
115
R
-
OG1
THR
A
541
L
-
HZ1
LYS
V
115
R
-
OG1
THR
A
541
L
-
HZ2
LYS
V
115
R
-
OG1
THR
A
541
L
-
HZ3
LYS
V
115
R
S
CE2
TYR
A
558
L
-
HZ1
LYS
V
115
R
S
OH
TYR
A
558
L
-
CE
LYS
V
115
R
S
OH
TYR
A
558
L
-
NZ
LYS
V
115
R
S
OH
TYR
A
558
L
-
HE3
LYS
V
115
R
S
OH
TYR
A
558
L
-
HZ1
LYS
V
115
R
S
OH
TYR
A
558
L
-
HZ2
LYS
V
115
R
S
OH
TYR
A
558
L
-
HZ3
LYS
V
115
R
S
CZ
TYR
A
558
L
-
HZ1
LYS
V
115
R
-
OE1
GLU
A
592
L
H
HE22
GLN
V
24
R
-
N
PRO
A
593
L
-
HG21
THR
V
18
R
-
CA
PRO
A
593
L
-
CG2
THR
V
18
R
-
CA
PRO
A
593
L
-
HG21
THR
V
18
R
-
CA
PRO
A
593
L
-
HG23
THR
V
18
R
-
C
PRO
A
593
L
-
CG2
THR
V
18
R
-
C
PRO
A
593
L
-
OG1
THR
V
18
R
-
C
PRO
A
593
L
-
HG21
THR
V
18
R
-
C
PRO
A
593
L
-
HG23
THR
V
18
R
-
CB
PRO
A
593
L
-
CB
THR
V
18
R
-
CB
PRO
A
593
L
-
CG2
THR
V
18
R
-
CB
PRO
A
593
L
-
OG1
THR
V
18
R
-
CB
PRO
A
593
L
-
HG21
THR
V
18
R
-
CB
PRO
A
593
L
-
HG22
THR
V
18
R
-
CB
PRO
A
593
L
-
HG23
THR
V
18
R
-
O
PRO
A
593
L
-
CG2
THR
V
18
R
-
O
PRO
A
593
L
-
HG21
THR
V
18
R
-
O
PRO
A
593
L
-
HG22
THR
V
18
R
-
O
PRO
A
593
L
-
HG23
THR
V
18
R
-
CG
PRO
A
593
L
-
CG2
THR
V
18
R
-
CG
PRO
A
593
L
-
HG21
THR
V
18
R
-
CG
PRO
A
593
L
-
HG22
THR
V
18
R
-
CG
PRO
A
593
L
-
HG23
THR
V
18
R
-
CD
PRO
A
593
L
-
HG21
THR
V
18
R
-
N
SER
A
594
L
-
OG1
THR
V
18
R
-
N
SER
A
594
L
-
HG21
THR
V
18
R
-
CA
SER
A
594
L
-
HG21
THR
V
18
R
-
C
SER
A
594
L
-
HB2
GLU
V
17
R
-
C
SER
A
594
L
-
CB
THR
V
18
R
-
C
SER
A
594
L
-
OG1
THR
V
18
R
-
C
SER
A
594
L
-
HB
THR
V
18
R
-
C
SER
A
594
L
-
HG1
THR
V
18
R
-
C
SER
A
594
L
-
HG21
THR
V
18
R
-
O
SER
A
594
L
-
CB
GLU
V
17
R
-
O
SER
A
594
L
-
OE1
GLU
V
17
R
-
O
SER
A
594
L
-
HB2
GLU
V
17
R
-
O
SER
A
594
L
-
CB
THR
V
18
R
-
O
SER
A
594
L
-
OG1
THR
V
18
R
-
O
SER
A
594
L
-
HB
THR
V
18
R
-
O
SER
A
594
L
-
HG1
THR
V
18
R
-
O
SER
A
594
L
-
HG21
THR
V
18
R
-
OG
SER
A
594
L
-
OE1
GLU
V
17
R
-
N
PRO
A
595
L
-
HB
THR
V
18
R
-
N
PRO
A
595
L
H
HB2
SER
V
21
R
-
CA
PRO
A
595
L
-
HB2
GLU
V
17
R
-
CA
PRO
A
595
L
-
HB
THR
V
18
R
-
CA
PRO
A
595
L
H
HB2
SER
V
21
R
-
CA
PRO
A
595
L
H
HG
SER
V
21
R
-
CB
PRO
A
595
L
-
HB
THR
V
18
R
-
CB
PRO
A
595
L
H
CB
SER
V
21
R
-
CB
PRO
A
595
L
H
OG
SER
V
21
R
-
CB
PRO
A
595
L
H
HB2
SER
V
21
R
-
CB
PRO
A
595
L
H
HB3
SER
V
21
R
-
CB
PRO
A
595
L
H
HG
SER
V
21
R
-
CG
PRO
A
595
L
H
CA
SER
V
21
R
-
CG
PRO
A
595
L
H
CB
SER
V
21
R
-
CG
PRO
A
595
L
H
OG
SER
V
21
R
-
CG
PRO
A
595
L
H
HB2
SER
V
21
R
-
CG
PRO
A
595
L
H
HB3
SER
V
21
R
-
CG
PRO
A
595
L
H
HG
SER
V
21
R
-
CD
PRO
A
595
L
-
HB
THR
V
18
R
-
CD
PRO
A
595
L
H
CB
SER
V
21
R
-
CD
PRO
A
595
L
H
OG
SER
V
21
R
-
CD
PRO
A
595
L
H
HB2
SER
V
21
R
-
CD
PRO
A
595
L
H
HG
SER
V
21
R
-
N
ALA
A
596
L
-
CB
GLU
V
17
R
-
N
ALA
A
596
L
-
O
GLU
V
17
R
-
N
ALA
A
596
L
-
HB2
GLU
V
17
R
-
N
ALA
A
596
L
-
HB3
GLU
V
17
R
-
CA
ALA
A
596
L
-
HB3
GLU
V
17
R
-
CB
ALA
A
596
L
-
CB
GLU
V
17
R
-
CB
ALA
A
596
L
-
OE2
GLU
V
17
R
-
CB
ALA
A
596
L
-
HB2
GLU
V
17
R
-
CB
ALA
A
596
L
-
HB3
GLU
V
17
R
-
CG
LEU
A
597
L
-
OE2
GLU
V
262
R
-
CD2
LEU
A
597
L
-
HB3
GLU
V
262
R
-
C
VAL
A
598
L
-
OD2
ASP
V
264
R
-
O
VAL
A
598
L
-
CG
ASP
V
264
R
-
O
VAL
A
598
L
-
OD2
ASP
V
264
R
-
O
VAL
A
598
L
S
HE2
PHE
V
295
R
-
N
PRO
A
599
L
-
OD2
ASP
V
264
R
-
CA
PRO
A
599
L
-
OD2
ASP
V
264
R
-
C
PRO
A
599
L
-
OD2
ASP
V
264
R
-
C
PRO
A
599
L
S
NH2
ARG
V
286
R
-
C
PRO
A
599
L
S
HH21
ARG
V
286
R
-
C
PRO
A
599
L
S
HH22
ARG
V
286
R
-
C
PRO
A
599
L
S
HE2
PHE
V
295
R
-
O
PRO
A
599
L
S
NH2
ARG
V
286
R
-
O
PRO
A
599
L
S
HH12
ARG
V
286
R
-
O
PRO
A
599
L
S
HH21
ARG
V
286
R
-
O
PRO
A
599
L
S
HH22
ARG
V
286
R
-
N
SER
A
600
L
-
CG
ASP
V
264
R
-
N
SER
A
600
L
-
OD2
ASP
V
264
R
-
N
SER
A
600
L
-
HB3
ASP
V
264
R
-
N
SER
A
600
L
S
NH2
ARG
V
286
R
-
N
SER
A
600
L
S
HH21
ARG
V
286
R
-
N
SER
A
600
L
S
HH22
ARG
V
286
R
-
N
SER
A
600
L
S
HE2
PHE
V
295
R
-
CA
SER
A
600
L
-
HB3
ASP
V
264
R
-
CA
SER
A
600
L
S
NH1
ARG
V
286
R
-
CA
SER
A
600
L
S
NH2
ARG
V
286
R
-
CA
SER
A
600
L
S
CZ
ARG
V
286
R
-
CA
SER
A
600
L
S
HH12
ARG
V
286
R
-
CA
SER
A
600
L
S
HH21
ARG
V
286
R
-
CA
SER
A
600
L
S
HH22
ARG
V
286
R
-
CA
SER
A
600
L
S
HE2
PHE
V
295
R
-
C
SER
A
600
L
S
NH1
ARG
V
286
R
-
C
SER
A
600
L
S
NH2
ARG
V
286
R
-
C
SER
A
600
L
S
CZ
ARG
V
286
R
-
C
SER
A
600
L
S
HH12
ARG
V
286
R
-
C
SER
A
600
L
S
HH21
ARG
V
286
R
-
C
SER
A
600
L
S
HH22
ARG
V
286
R
-
CB
SER
A
600
L
-
CB
ASP
V
264
R
-
CB
SER
A
600
L
-
CG
ASP
V
264
R
-
CB
SER
A
600
L
-
HA
ASP
V
264
R
-
CB
SER
A
600
L
-
HB3
ASP
V
264
R
-
CB
SER
A
600
L
S
NH2
ARG
V
286
R
-
CB
SER
A
600
L
S
CZ
ARG
V
286
R
-
CB
SER
A
600
L
S
HH21
ARG
V
286
R
-
CB
SER
A
600
L
S
HH22
ARG
V
286
R
-
CB
SER
A
600
L
S
HA2
GLY
V
294
R
-
CB
SER
A
600
L
S
CE2
PHE
V
295
R
-
CB
SER
A
600
L
S
HD2
PHE
V
295
R
-
CB
SER
A
600
L
S
HE2
PHE
V
295
R
-
OG
SER
A
600
L
-
CA
ASP
V
264
R
-
OG
SER
A
600
L
-
C
ASP
V
264
R
-
OG
SER
A
600
L
-
CB
ASP
V
264
R
-
OG
SER
A
600
L
-
O
ASP
V
264
R
-
OG
SER
A
600
L
-
CG
ASP
V
264
R
-
OG
SER
A
600
L
-
OD1
ASP
V
264
R
-
OG
SER
A
600
L
-
OD2
ASP
V
264
R
-
OG
SER
A
600
L
-
HA
ASP
V
264
R
-
OG
SER
A
600
L
-
HB2
ASP
V
264
R
-
OG
SER
A
600
L
-
HB3
ASP
V
264
R
-
OG
SER
A
600
L
S
HH21
ARG
V
286
R
-
OG
SER
A
600
L
S
HA2
GLY
V
294
R
-
OG
SER
A
600
L
S
CD2
PHE
V
295
R
-
OG
SER
A
600
L
S
CE2
PHE
V
295
R
-
OG
SER
A
600
L
S
HD2
PHE
V
295
R
-
OG
SER
A
600
L
S
HE2
PHE
V
295
R
-
N
ILE
A
601
L
S
NH1
ARG
V
286
R
-
N
ILE
A
601
L
S
NH2
ARG
V
286
R
-
N
ILE
A
601
L
S
CZ
ARG
V
286
R
-
N
ILE
A
601
L
S
HH11
ARG
V
286
R
-
N
ILE
A
601
L
S
HH12
ARG
V
286
R
-
N
ILE
A
601
L
S
HH21
ARG
V
286
R
-
N
ILE
A
601
L
S
HH22
ARG
V
286
R
-
CA
ILE
A
601
L
S
NH1
ARG
V
286
R
-
CA
ILE
A
601
L
S
HH11
ARG
V
286
R
-
CA
ILE
A
601
L
S
HH12
ARG
V
286
R
-
C
ILE
A
601
L
S
NH1
ARG
V
286
R
-
C
ILE
A
601
L
S
HD3
ARG
V
286
R
-
C
ILE
A
601
L
S
HH11
ARG
V
286
R
-
C
ILE
A
601
L
S
HH12
ARG
V
286
R
-
C
ILE
A
601
L
S
HG12
VAL
V
293
R
-
CB
ILE
A
601
L
S
NH1
ARG
V
286
R
-
CB
ILE
A
601
L
S
HH12
ARG
V
286
R
-
O
ILE
A
601
L
S
CD
ARG
V
286
R
-
O
ILE
A
601
L
S
NE
ARG
V
286
R
-
O
ILE
A
601
L
S
NH1
ARG
V
286
R
-
O
ILE
A
601
L
S
CZ
ARG
V
286
R
-
O
ILE
A
601
L
S
HD3
ARG
V
286
R
-
O
ILE
A
601
L
S
HH11
ARG
V
286
R
-
O
ILE
A
601
L
S
HH12
ARG
V
286
R
-
O
ILE
A
601
L
S
CG1
VAL
V
293
R
-
O
ILE
A
601
L
S
HG11
VAL
V
293
R
-
O
ILE
A
601
L
S
HG12
VAL
V
293
R
-
CG1
ILE
A
601
L
S
HH12
ARG
V
286
R
-
N
PRO
A
602
L
S
CB
VAL
V
293
R
-
N
PRO
A
602
L
S
CG1
VAL
V
293
R
-
N
PRO
A
602
L
S
HB
VAL
V
293
R
-
N
PRO
A
602
L
S
HG12
VAL
V
293
R
-
N
PRO
A
602
L
S
HG23
VAL
V
293
R
-
CA
PRO
A
602
L
S
CB
VAL
V
293
R
-
CA
PRO
A
602
L
S
CG1
VAL
V
293
R
-
CA
PRO
A
602
L
S
CG2
VAL
V
293
R
-
CA
PRO
A
602
L
S
HB
VAL
V
293
R
-
CA
PRO
A
602
L
S
HG11
VAL
V
293
R
-
CA
PRO
A
602
L
S
HG12
VAL
V
293
R
-
CA
PRO
A
602
L
S
HG13
VAL
V
293
R
-
CA
PRO
A
602
L
S
HG21
VAL
V
293
R
-
CA
PRO
A
602
L
S
HG22
VAL
V
293
R
-
CA
PRO
A
602
L
S
HG23
VAL
V
293
R
-
C
PRO
A
602
L
S
HD11
ILE
V
277
R
-
C
PRO
A
602
L
S
CG1
VAL
V
293
R
-
C
PRO
A
602
L
S
CG2
VAL
V
293
R
-
C
PRO
A
602
L
S
HG12
VAL
V
293
R
-
C
PRO
A
602
L
S
HG23
VAL
V
293
R
-
CB
PRO
A
602
L
S
CB
VAL
V
293
R
-
CB
PRO
A
602
L
S
CG1
VAL
V
293
R
-
CB
PRO
A
602
L
S
CG2
VAL
V
293
R
-
CB
PRO
A
602
L
S
HB
VAL
V
293
R
-
CB
PRO
A
602
L
S
HG12
VAL
V
293
R
-
CB
PRO
A
602
L
S
HG13
VAL
V
293
R
-
CB
PRO
A
602
L
S
HG21
VAL
V
293
R
-
CB
PRO
A
602
L
S
HG22
VAL
V
293
R
-
CB
PRO
A
602
L
S
HG23
VAL
V
293
R
-
O
PRO
A
602
L
S
HG23
VAL
V
293
R
-
CG
PRO
A
602
L
S
CB
VAL
V
293
R
-
CG
PRO
A
602
L
S
CG2
VAL
V
293
R
-
CG
PRO
A
602
L
S
HB
VAL
V
293
R
-
CG
PRO
A
602
L
S
HG12
VAL
V
293
R
-
CG
PRO
A
602
L
S
HG21
VAL
V
293
R
-
CG
PRO
A
602
L
S
HG23
VAL
V
293
R
-
CD
PRO
A
602
L
S
HB
VAL
V
293
R
-
CD
PRO
A
602
L
S
HG12
VAL
V
293
R
-
CD
PRO
A
602
L
S
HG23
VAL
V
293
R
-
N
THR
A
603
L
S
CD1
ILE
V
277
R
-
N
THR
A
603
L
S
HG22
ILE
V
277
R
-
N
THR
A
603
L
S
HD11
ILE
V
277
R
-
N
THR
A
603
L
S
HD12
ILE
V
277
R
-
N
THR
A
603
L
S
HD13
ILE
V
277
R
-
N
THR
A
603
L
S
HG12
VAL
V
293
R
-
N
THR
A
603
L
S
HG23
VAL
V
293
R
-
CA
THR
A
603
L
S
CG2
ILE
V
277
R
-
CA
THR
A
603
L
S
CD1
ILE
V
277
R
-
CA
THR
A
603
L
S
HG22
ILE
V
277
R
-
CA
THR
A
603
L
S
HG23
ILE
V
277
R
-
CA
THR
A
603
L
S
HD11
ILE
V
277
R
-
CA
THR
A
603
L
S
HD13
ILE
V
277
R
-
C
THR
A
603
L
S
CD1
ILE
V
277
R
-
C
THR
A
603
L
S
HG12
ILE
V
277
R
-
C
THR
A
603
L
S
HG22
ILE
V
277
R
-
C
THR
A
603
L
S
HD11
ILE
V
277
R
-
C
THR
A
603
L
S
HD13
ILE
V
277
R
-
C
THR
A
603
L
S
HD2
LYS
V
288
R
-
CB
THR
A
603
L
S
CB
ILE
V
277
R
-
CB
THR
A
603
L
S
CG1
ILE
V
277
R
-
CB
THR
A
603
L
S
CG2
ILE
V
277
R
-
CB
THR
A
603
L
S
CD1
ILE
V
277
R
-
CB
THR
A
603
L
S
HB
ILE
V
277
R
-
CB
THR
A
603
L
S
HG12
ILE
V
277
R
-
CB
THR
A
603
L
S
HG21
ILE
V
277
R
-
CB
THR
A
603
L
S
HG22
ILE
V
277
R
-
CB
THR
A
603
L
S
HG23
ILE
V
277
R
-
CB
THR
A
603
L
S
HD11
ILE
V
277
R
-
CB
THR
A
603
L
S
HD13
ILE
V
277
R
-
O
THR
A
603
L
S
CG1
ILE
V
277
R
-
O
THR
A
603
L
S
CD1
ILE
V
277
R
-
O
THR
A
603
L
S
HG12
ILE
V
277
R
-
O
THR
A
603
L
S
HG22
ILE
V
277
R
-
O
THR
A
603
L
S
HG23
ILE
V
277
R
-
O
THR
A
603
L
S
HD11
ILE
V
277
R
-
O
THR
A
603
L
S
HD12
ILE
V
277
R
-
O
THR
A
603
L
S
HD13
ILE
V
277
R
-
O
THR
A
603
L
S
HD2
LYS
V
288
R
-
O
THR
A
603
L
S
HD3
LYS
V
288
R
-
CG2
THR
A
603
L
S
CG2
ILE
V
277
R
-
CG2
THR
A
603
L
S
HG21
ILE
V
277
R
-
CG2
THR
A
603
L
S
HG22
ILE
V
277
R
-
CG2
THR
A
603
L
S
HG23
ILE
V
277
R
-
CG2
THR
A
603
L
S
HD11
ILE
V
277
R
-
OG1
THR
A
603
L
S
CA
ILE
V
277
R
-
OG1
THR
A
603
L
S
CB
ILE
V
277
R
-
OG1
THR
A
603
L
S
CG1
ILE
V
277
R
-
OG1
THR
A
603
L
S
CG2
ILE
V
277
R
-
OG1
THR
A
603
L
S
CD1
ILE
V
277
R
-
OG1
THR
A
603
L
S
HB
ILE
V
277
R
-
OG1
THR
A
603
L
S
HG12
ILE
V
277
R
-
OG1
THR
A
603
L
S
HG13
ILE
V
277
R
-
OG1
THR
A
603
L
S
HG21
ILE
V
277
R
-
OG1
THR
A
603
L
S
HG22
ILE
V
277
R
-
OG1
THR
A
603
L
S
HG23
ILE
V
277
R
-
OG1
THR
A
603
L
S
HD11
ILE
V
277
R
-
OG1
THR
A
603
L
S
HD12
ILE
V
277
R
-
OG1
THR
A
603
L
S
HD13
ILE
V
277
R
-
OG1
THR
A
603
L
S
HD3
ARG
V
286
R
-
N
MET
A
604
L
S
HD13
ILE
V
277
R
-
N
MET
A
604
L
S
HD2
LYS
V
288
R
-
N
MET
A
604
L
S
HZ3
LYS
V
288
R
-
CA
MET
A
604
L
S
NZ
LYS
V
288
R
-
CA
MET
A
604
L
S
HD2
LYS
V
288
R
-
CA
MET
A
604
L
S
HZ2
LYS
V
288
R
-
CA
MET
A
604
L
S
HZ3
LYS
V
288
R
-
C
MET
A
604
L
S
HZ3
LYS
V
288
R
-
CB
MET
A
604
L
S
NZ
LYS
V
288
R
-
CB
MET
A
604
L
S
HZ1
LYS
V
288
R
-
CB
MET
A
604
L
S
HZ2
LYS
V
288
R
-
CB
MET
A
604
L
S
HZ3
LYS
V
288
R
-
CG
MET
A
604
L
S
CD
LYS
V
288
R
-
CG
MET
A
604
L
S
CE
LYS
V
288
R
-
CG
MET
A
604
L
S
NZ
LYS
V
288
R
-
CG
MET
A
604
L
S
HD2
LYS
V
288
R
-
CG
MET
A
604
L
S
HD3
LYS
V
288
R
-
CG
MET
A
604
L
S
HE2
LYS
V
288
R
-
CG
MET
A
604
L
S
HE3
LYS
V
288
R
-
CG
MET
A
604
L
S
HZ1
LYS
V
288
R
-
CG
MET
A
604
L
S
HZ2
LYS
V
288
R
-
CG
MET
A
604
L
S
HZ3
LYS
V
288
R
-
SD
MET
A
604
L
S
CE
LYS
V
288
R
-
SD
MET
A
604
L
S
NZ
LYS
V
288
R
-
SD
MET
A
604
L
S
HE3
LYS
V
288
R
-
SD
MET
A
604
L
S
HZ1
LYS
V
288
R
-
SD
MET
A
604
L
S
HZ2
LYS
V
288
R
-
SD
MET
A
604
L
S
HZ3
LYS
V
288
R
-
CE
MET
A
604
L
S
CE
LYS
V
288
R
-
CE
MET
A
604
L
S
NZ
LYS
V
288
R
-
CE
MET
A
604
L
S
HE2
LYS
V
288
R
-
CE
MET
A
604
L
S
HE3
LYS
V
288
R
-
CE
MET
A
604
L
S
HZ1
LYS
V
288
R
-
CE
MET
A
604
L
S
HZ2
LYS
V
288
R
-
CE
MET
A
604
L
S
HZ3
LYS
V
288
R
-
CE
MET
A
604
L
-
O
GLY
V
290
R
-
CE
MET
A
604
L
-
HA
GLU
V
291
R
-
CE
MET
A
604
L
-
HG3
GLU
V
291
R
-
ND2
ASN
A
605
L
S
HG12
ILE
V
277
R
-
OH
TYR
A
611
L
-
HZ2
LYS
V
242
R
S
OE1
GLU
A
633
L
-
HZ2
LYS
V
273
R
S
OE1
GLU
A
633
L
-
HZ3
LYS
V
273
R
-
CB
ALA
A
634
L
-
O
GLN
V
248
R
-
CB
ALA
A
634
L
-
HB3
GLN
V
248
R
-
CD
GLN
A
635
L
S
HE1
TYR
V
251
R
-
CD
GLN
A
635
L
-
CA
ALA
V
306
R
-
CD
GLN
A
635
L
-
HA
ALA
V
306
R
-
CD
GLN
A
635
L
-
H
GLY
V
307
R
-
NE2
GLN
A
635
L
S
CE1
TYR
V
251
R
-
NE2
GLN
A
635
L
S
HE1
TYR
V
251
R
-
NE2
GLN
A
635
L
-
HA
ALA
V
306
R
-
NE2
GLN
A
635
L
-
H
GLY
V
307
R
-
OE1
GLN
A
635
L
S
HE1
TYR
V
251
R
-
OE1
GLN
A
635
L
-
N
ALA
V
306
R
-
OE1
GLN
A
635
L
-
CA
ALA
V
306
R
-
OE1
GLN
A
635
L
-
C
ALA
V
306
R
-
OE1
GLN
A
635
L
-
CB
ALA
V
306
R
-
OE1
GLN
A
635
L
-
HA
ALA
V
306
R
-
OE1
GLN
A
635
L
-
HB1
ALA
V
306
R
-
OE1
GLN
A
635
L
-
HB2
ALA
V
306
R
-
OE1
GLN
A
635
L
-
N
GLY
V
307
R
-
OE1
GLN
A
635
L
-
H
GLY
V
307
R
-
O
LYS
A
638
L
-
HA2
GLY
V
307
R
-
CA
GLY
A
639
L
-
HB1
ALA
V
306
R
-
CA
GLY
A
639
L
-
N
GLY
V
307
R
-
CA
GLY
A
639
L
-
H
GLY
V
307
R
-
CA
GLY
A
639
L
-
HA2
GLY
V
307
R
-
C
GLY
A
639
L
-
HB1
ALA
V
306
R
-
C
GLY
A
639
L
-
H
GLY
V
307
R
-
O
GLY
A
639
L
-
CA
ALA
V
306
R
-
O
GLY
A
639
L
-
C
ALA
V
306
R
-
O
GLY
A
639
L
-
CB
ALA
V
306
R
-
O
GLY
A
639
L
-
HA
ALA
V
306
R
-
O
GLY
A
639
L
-
HB1
ALA
V
306
R
-
O
GLY
A
639
L
-
HB2
ALA
V
306
R
-
O
GLY
A
639
L
-
HB3
ALA
V
306
R
-
O
GLY
A
639
L
-
N
GLY
V
307
R
-
O
GLY
A
639
L
-
H
GLY
V
307
R
-
N
PRO
A
641
L
-
HB1
ALA
V
306
R
-
CB
PRO
A
641
L
-
HB2
ALA
V
306
R
-
O
PRO
A
641
L
-
CD
GLN
V
247
R
-
O
PRO
A
641
L
-
NE2
GLN
V
247
R
-
O
PRO
A
641
L
-
OE1
GLN
V
247
R
-
O
PRO
A
641
L
-
HE22
GLN
V
247
R
-
CD
PRO
A
641
L
-
HB1
ALA
V
306
R
H
N
SER
A
657
L
-
HE21
GLN
V
247
R
H
N
SER
A
657
L
-
HE22
GLN
V
247
R
H
CA
SER
A
657
L
-
NE2
GLN
V
247
R
H
CA
SER
A
657
L
-
HE21
GLN
V
247
R
H
CA
SER
A
657
L
-
HE22
GLN
V
247
R
H
C
SER
A
657
L
-
NE2
GLN
V
247
R
H
C
SER
A
657
L
-
HE21
GLN
V
247
R
H
C
SER
A
657
L
-
HE22
GLN
V
247
R
H
CB
SER
A
657
L
-
CG
GLN
V
247
R
H
CB
SER
A
657
L
-
CD
GLN
V
247
R
H
CB
SER
A
657
L
-
NE2
GLN
V
247
R
H
CB
SER
A
657
L
-
HG2
GLN
V
247
R
H
CB
SER
A
657
L
-
HE21
GLN
V
247
R
H
CB
SER
A
657
L
-
HE22
GLN
V
247
R
H
O
SER
A
657
L
-
NE2
GLN
V
247
R
H
O
SER
A
657
L
-
HG2
GLN
V
247
R
H
O
SER
A
657
L
-
HE21
GLN
V
247
R
H
O
SER
A
657
L
-
HE22
GLN
V
247
R
H
OG
SER
A
657
L
-
NE2
GLN
V
247
R
H
OG
SER
A
657
L
-
HE21
GLN
V
247
R
H
OG
SER
A
657
L
-
HE22
GLN
V
247
R
H
N
GLY
A
658
L
-
NE2
GLN
V
247
R
H
N
GLY
A
658
L
-
HE21
GLN
V
247
R
H
N
GLY
A
658
L
-
HE22
GLN
V
247
R
H
CA
GLY
A
658
L
-
NE2
GLN
V
247
R
H
CA
GLY
A
658
L
-
HE21
GLN
V
247
R
H
CA
GLY
A
658
L
-
HE22
GLN
V
247
R
S
CB
ALA
A
661
L
-
HE2
LYS
V
242
R
S
CB
ALA
A
661
L
-
HE3
LYS
V
242
R
S
N
ARG
A
662
L
-
HA2
GLY
V
245
R
S
CA
ARG
A
662
L
-
HB3
GLN
V
243
R
S
C
ARG
A
662
L
-
HB3
GLN
V
243
R
S
CB
ARG
A
662
L
-
CB
GLN
V
243
R
S
CB
ARG
A
662
L
-
OE1
GLN
V
243
R
S
CB
ARG
A
662
L
-
HB2
GLN
V
243
R
S
CB
ARG
A
662
L
-
HB3
GLN
V
243
R
S
CB
ARG
A
662
L
-
HA3
GLY
V
245
R
S
O
ARG
A
662
L
-
CB
GLN
V
243
R
S
O
ARG
A
662
L
-
H
GLN
V
243
R
S
O
ARG
A
662
L
-
HB3
GLN
V
243
R
S
O
ARG
A
662
L
-
HG3
GLN
V
243
R
S
CG
ARG
A
662
L
-
CA
GLY
V
245
R
S
CG
ARG
A
662
L
-
HA2
GLY
V
245
R
S
CG
ARG
A
662
L
-
HA3
GLY
V
245
R
S
CD
ARG
A
662
L
-
O
PRO
V
244
R
S
CD
ARG
A
662
L
-
CA
GLY
V
245
R
S
CD
ARG
A
662
L
-
HA3
GLY
V
245
R
S
NE
ARG
A
662
L
-
CA
GLY
V
245
R
S
NE
ARG
A
662
L
-
HA3
GLY
V
245
R
S
NE
ARG
A
662
L
-
N
PHE
V
246
R
S
NE
ARG
A
662
L
-
O
PHE
V
246
R
S
NE
ARG
A
662
L
-
H
PHE
V
246
R
S
NH1
ARG
A
662
L
-
O
PRO
V
244
R
S
NH1
ARG
A
662
L
-
HA3
GLY
V
245
R
S
NH1
ARG
A
662
L
-
N
PHE
V
246
R
S
NH1
ARG
A
662
L
-
CB
PHE
V
246
R
S
NH1
ARG
A
662
L
-
H
PHE
V
246
R
S
NH1
ARG
A
662
L
-
HB2
PHE
V
246
R
S
NH1
ARG
A
662
L
-
HB3
PHE
V
246
R
S
NH2
ARG
A
662
L
-
HA3
GLY
V
245
R
S
NH2
ARG
A
662
L
-
N
PHE
V
246
R
S
NH2
ARG
A
662
L
-
CA
PHE
V
246
R
S
NH2
ARG
A
662
L
-
C
PHE
V
246
R
S
NH2
ARG
A
662
L
-
CB
PHE
V
246
R
S
NH2
ARG
A
662
L
-
O
PHE
V
246
R
S
NH2
ARG
A
662
L
-
H
PHE
V
246
R
S
NH2
ARG
A
662
L
-
HB2
PHE
V
246
R
S
NH2
ARG
A
662
L
-
HB3
PHE
V
246
R
S
NH2
ARG
A
662
L
-
CG
GLN
V
248
R
S
NH2
ARG
A
662
L
-
CD
GLN
V
248
R
S
NH2
ARG
A
662
L
-
HG2
GLN
V
248
R
S
NH2
ARG
A
662
L
-
HG3
GLN
V
248
R
S
NH2
ARG
A
662
L
-
HE21
GLN
V
248
R
S
CZ
ARG
A
662
L
-
O
PRO
V
244
R
S
CZ
ARG
A
662
L
-
HA3
GLY
V
245
R
S
CZ
ARG
A
662
L
-
N
PHE
V
246
R
S
CZ
ARG
A
662
L
-
C
PHE
V
246
R
S
CZ
ARG
A
662
L
-
CB
PHE
V
246
R
S
CZ
ARG
A
662
L
-
O
PHE
V
246
R
S
CZ
ARG
A
662
L
-
H
PHE
V
246
R
S
CZ
ARG
A
662
L
-
HB2
PHE
V
246
R
S
CZ
ARG
A
662
L
-
HB3
PHE
V
246
R
S
CZ
ARG
A
662
L
-
HG3
GLN
V
248
R
-
C
ALA
A
663
L
-
OE1
GLN
V
243
R
-
C
ALA
A
663
L
-
HG3
GLN
V
243
R
-
O
ALA
A
663
L
-
CD
GLN
V
243
R
-
O
ALA
A
663
L
-
NE2
GLN
V
243
R
-
O
ALA
A
663
L
-
OE1
GLN
V
243
R
-
O
ALA
A
663
L
-
HG3
GLN
V
243
R
-
N
ARG
A
664
L
-
CG
GLN
V
243
R
-
N
ARG
A
664
L
-
CD
GLN
V
243
R
-
N
ARG
A
664
L
-
HG3
GLN
V
243
R
-
CA
ARG
A
664
L
-
CG
GLN
V
243
R
-
CA
ARG
A
664
L
-
CD
GLN
V
243
R
-
CA
ARG
A
664
L
-
NE2
GLN
V
243
R
-
CA
ARG
A
664
L
-
OE1
GLN
V
243
R
-
CA
ARG
A
664
L
-
HG2
GLN
V
243
R
-
CA
ARG
A
664
L
-
HG3
GLN
V
243
R
-
CA
ARG
A
664
L
-
HE21
GLN
V
243
R
-
CA
ARG
A
664
L
-
HE22
GLN
V
243
R
-
C
ARG
A
664
L
-
NE2
GLN
V
243
R
-
C
ARG
A
664
L
-
HG3
GLN
V
243
R
-
C
ARG
A
664
L
-
HE21
GLN
V
243
R
-
CB
ARG
A
664
L
-
CG
GLN
V
243
R
-
CB
ARG
A
664
L
-
HG2
GLN
V
243
R
-
CB
ARG
A
664
L
-
HG3
GLN
V
243
R
-
CB
ARG
A
664
L
-
HE21
GLN
V
243
R
-
CG
ARG
A
664
L
-
HA
HIS
V
241
R
-
CG
ARG
A
664
L
-
N
GLN
V
243
R
-
CG
ARG
A
664
L
-
CA
GLN
V
243
R
-
CG
ARG
A
664
L
-
CB
GLN
V
243
R
-
CG
ARG
A
664
L
-
CG
GLN
V
243
R
-
CG
ARG
A
664
L
-
CD
GLN
V
243
R
-
CG
ARG
A
664
L
-
H
GLN
V
243
R
-
CG
ARG
A
664
L
-
HB3
GLN
V
243
R
-
CG
ARG
A
664
L
-
HG2
GLN
V
243
R
-
CG
ARG
A
664
L
-
HG3
GLN
V
243
R
-
CG
ARG
A
664
L
-
HE21
GLN
V
243
R
-
CD
ARG
A
664
L
-
CA
HIS
V
241
R
-
CD
ARG
A
664
L
-
ND1
HIS
V
241
R
-
CD
ARG
A
664
L
-
CE1
HIS
V
241
R
-
CD
ARG
A
664
L
-
HA
HIS
V
241
R
-
CD
ARG
A
664
L
-
N
GLN
V
243
R
-
CD
ARG
A
664
L
-
H
GLN
V
243
R
-
CD
ARG
A
664
L
-
HG2
GLN
V
243
R
-
CD
ARG
A
664
L
-
HG3
GLN
V
243
R
-
NE
ARG
A
664
L
-
N
HIS
V
241
R
-
NE
ARG
A
664
L
-
CA
HIS
V
241
R
-
NE
ARG
A
664
L
-
C
HIS
V
241
R
-
NE
ARG
A
664
L
-
H
HIS
V
241
R
-
NE
ARG
A
664
L
-
HA
HIS
V
241
R
-
NE
ARG
A
664
L
-
N
LYS
V
242
R
-
NE
ARG
A
664
L
-
CA
LYS
V
242
R
-
NE
ARG
A
664
L
-
C
LYS
V
242
R
-
NE
ARG
A
664
L
-
O
LYS
V
242
R
-
NE
ARG
A
664
L
-
H
LYS
V
242
R
-
NE
ARG
A
664
L
-
N
GLN
V
243
R
-
NE
ARG
A
664
L
-
H
GLN
V
243
R
-
NE
ARG
A
664
L
-
HA
GLN
V
243
R
-
NE
ARG
A
664
L
-
HG2
GLN
V
243
R
-
NE
ARG
A
664
L
-
HG3
GLN
V
243
R
-
NH1
ARG
A
664
L
-
C
LYS
V
240
R
-
NH1
ARG
A
664
L
-
HA
LYS
V
240
R
-
NH1
ARG
A
664
L
-
HB3
LYS
V
240
R
-
NH1
ARG
A
664
L
-
N
HIS
V
241
R
-
NH1
ARG
A
664
L
-
CA
HIS
V
241
R
-
NH1
ARG
A
664
L
-
ND1
HIS
V
241
R
-
NH1
ARG
A
664
L
-
H
HIS
V
241
R
-
NH1
ARG
A
664
L
-
HA
HIS
V
241
R
-
NH1
ARG
A
664
L
-
N
LYS
V
242
R
-
NH1
ARG
A
664
L
-
H
LYS
V
242
R
-
NH2
ARG
A
664
L
-
N
HIS
V
241
R
-
NH2
ARG
A
664
L
-
CA
HIS
V
241
R
-
NH2
ARG
A
664
L
-
C
HIS
V
241
R
-
NH2
ARG
A
664
L
-
H
HIS
V
241
R
-
NH2
ARG
A
664
L
-
HA
HIS
V
241
R
-
NH2
ARG
A
664
L
-
N
LYS
V
242
R
-
NH2
ARG
A
664
L
-
CA
LYS
V
242
R
-
NH2
ARG
A
664
L
-
C
LYS
V
242
R
-
NH2
ARG
A
664
L
-
O
LYS
V
242
R
-
NH2
ARG
A
664
L
-
H
LYS
V
242
R
-
CZ
ARG
A
664
L
-
N
HIS
V
241
R
-
CZ
ARG
A
664
L
-
CA
HIS
V
241
R
-
CZ
ARG
A
664
L
-
C
HIS
V
241
R
-
CZ
ARG
A
664
L
-
H
HIS
V
241
R
-
CZ
ARG
A
664
L
-
HA
HIS
V
241
R
-
CZ
ARG
A
664
L
-
N
LYS
V
242
R
-
CZ
ARG
A
664
L
-
C
LYS
V
242
R
-
CZ
ARG
A
664
L
-
O
LYS
V
242
R
-
CZ
ARG
A
664
L
-
H
LYS
V
242
R
-
N
SER
A
665
L
-
CD
GLN
V
243
R
-
N
SER
A
665
L
-
NE2
GLN
V
243
R
-
N
SER
A
665
L
-
HE21
GLN
V
243
R
-
N
SER
A
665
L
-
HE22
GLN
V
243
R
-
CB
SER
A
665
L
-
HE22
GLN
V
243
R
-
O
SER
A
665
L
-
HE21
GLN
V
243
R
-
CA
GLY
A
670
L
-
HE2
LYS
V
11
R
-
CA
GLY
A
670
L
-
HZ1
LYS
V
11
R
-
O
TRP
A
671
L
-
HZ1
LYS
V
11
R
-
O
TRP
A
671
L
-
HZ3
LYS
V
11