A1IGU5_P84095.1
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
-
GLN
A
228
L
H
ARG
V
127
R
-
GLN
A
228
L
H
GLU
V
131
R
-
THR
A
230
L
H
GLU
V
131
R
-
PRO
A
593
L
-
GLN
V
74
R
-
PRO
A
593
L
-
ASN
V
76
R
-
SER
A
594
L
-
GLN
V
74
R
-
PRO
A
595
L
S
LYS
V
5
R
-
PRO
A
595
L
S
ASN
V
54
R
-
PRO
A
595
L
S
TRP
V
56
R
-
PRO
A
595
L
-
GLN
V
74
R
-
ALA
A
596
L
S
LYS
V
5
R
-
ALA
A
596
L
S
TRP
V
56
R
-
ALA
A
596
L
H
LEU
V
70
R
-
ALA
A
596
L
H
SER
V
71
R
-
ALA
A
596
L
-
PRO
V
73
R
-
ALA
A
596
L
-
GLN
V
74
R
-
LEU
A
597
L
S
TRP
V
56
R
-
LEU
A
597
L
H
LEU
V
70
R
-
VAL
A
598
L
S
PHE
V
37
R
-
VAL
A
598
L
S
TRP
V
56
R
-
VAL
A
598
L
H
LEU
V
67
R
-
VAL
A
598
L
H
ARG
V
68
R
-
VAL
A
598
L
H
LEU
V
70
R
-
VAL
A
598
L
H
SER
V
71
R
-
PRO
A
599
L
-
VAL
V
36
R
-
PRO
A
599
L
S
PHE
V
37
R
-
PRO
A
599
L
H
LEU
V
67
R
-
PRO
A
599
L
H
LEU
V
70
R
-
SER
A
600
L
-
VAL
V
36
R
-
SER
A
600
L
S
PHE
V
37
R
-
SER
A
600
L
H
LEU
V
67
R
-
ILE
A
601
L
-
VAL
V
36
R
-
ILE
A
601
L
H
TYR
V
64
R
-
ILE
A
601
L
H
LEU
V
67
R
-
PRO
A
602
L
-
VAL
V
36
R
-
THR
A
603
L
-
ILE
V
33
R
-
THR
A
603
L
-
PRO
V
34
R
-
THR
A
603
L
-
VAL
V
36
R
-
THR
A
603
L
-
GLN
V
61
R
-
THR
A
603
L
H
TYR
V
64
R
-
ASN
A
605
L
-
ILE
V
33
R
-
ASN
A
605
L
-
PRO
V
34
R
-
SER
A
665
L
H
GLU
V
63
R
-
PRO
A
666
L
H
GLU
V
63
R
-
VAL
A
667
L
H
GLU
V
62
R
-
VAL
A
667
L
H
GLU
V
63
R
-
LEU
A
668
L
H
GLU
V
62
R
-
LEU
A
668
L
H
GLU
V
63
R
-
TRP
A
669
L
H
GLU
V
62
R
-
GLY
A
670
L
H
GLU
V
62
R
-
GLY
A
670
L
H
ASP
V
65
R
-
TRP
A
671
L
H
GLU
V
62
R
-
TRP
A
671
L
H
ASP
V
65
R
-
TRP
A
671
L
H
HIS
V
95
R
-
TRP
A
671
L
H
LYS
V
96
R
-
SER
A
672
L
H
GLU
V
100
R
-
SER
A
672
L
H
HIS
V
104
R
-
SER
A
672
L
H
PRO
V
99
R
-
LEU
A
673
L
H
HIS
V
103
R
-
LEU
A
673
L
H
PRO
V
99
R
-
PRO
A
674
L
H
GLU
V
100
R
-
PRO
A
674
L
H
CYS
V
102
R
-
PRO
A
674
L
H
HIS
V
103
R
-
PRO
A
674
L
H
HIS
V
98
R
-
PRO
A
674
L
H
PRO
V
99
R
-
SER
A
675
L
H
HIS
V
103
A1IGU5_P84095.1
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
-
CB
GLN
A
228
L
H
CD
ARG
V
127
R
-
CB
GLN
A
228
L
H
HD3
ARG
V
127
R
-
O
GLN
A
228
L
H
OE1
GLU
V
131
R
-
CG
GLN
A
228
L
H
CD
ARG
V
127
R
-
CG
GLN
A
228
L
H
HD2
ARG
V
127
R
-
CG
GLN
A
228
L
H
HD3
ARG
V
127
R
-
CD
GLN
A
228
L
H
CD
ARG
V
127
R
-
CD
GLN
A
228
L
H
HG3
ARG
V
127
R
-
CD
GLN
A
228
L
H
HD2
ARG
V
127
R
-
CD
GLN
A
228
L
H
HD3
ARG
V
127
R
-
NE2
GLN
A
228
L
H
CD
ARG
V
127
R
-
NE2
GLN
A
228
L
H
HD2
ARG
V
127
R
-
NE2
GLN
A
228
L
H
HD3
ARG
V
127
R
-
NE2
GLN
A
228
L
H
HH11
ARG
V
127
R
-
OE1
GLN
A
228
L
H
CG
ARG
V
127
R
-
OE1
GLN
A
228
L
H
CD
ARG
V
127
R
-
OE1
GLN
A
228
L
H
HG3
ARG
V
127
R
-
OE1
GLN
A
228
L
H
HD2
ARG
V
127
R
-
OE1
GLN
A
228
L
H
HD3
ARG
V
127
R
-
CA
THR
A
230
L
H
OE2
GLU
V
131
R
-
CB
THR
A
230
L
H
OE2
GLU
V
131
R
-
CG2
THR
A
230
L
H
CB
GLU
V
131
R
-
CG2
THR
A
230
L
H
CD
GLU
V
131
R
-
CG2
THR
A
230
L
H
OE2
GLU
V
131
R
-
CG2
THR
A
230
L
H
HB3
GLU
V
131
R
-
C
PRO
A
593
L
-
HB3
GLN
V
74
R
-
CB
PRO
A
593
L
-
HB3
GLN
V
74
R
-
CB
PRO
A
593
L
-
HD22
ASN
V
76
R
-
CG
PRO
A
593
L
-
ND2
ASN
V
76
R
-
CG
PRO
A
593
L
-
HD22
ASN
V
76
R
-
N
SER
A
594
L
-
CD
GLN
V
74
R
-
N
SER
A
594
L
-
NE2
GLN
V
74
R
-
N
SER
A
594
L
-
OE1
GLN
V
74
R
-
N
SER
A
594
L
-
HB3
GLN
V
74
R
-
N
SER
A
594
L
-
HE21
GLN
V
74
R
-
N
SER
A
594
L
-
HE22
GLN
V
74
R
-
CA
SER
A
594
L
-
CD
GLN
V
74
R
-
CA
SER
A
594
L
-
NE2
GLN
V
74
R
-
CA
SER
A
594
L
-
OE1
GLN
V
74
R
-
CA
SER
A
594
L
-
HE22
GLN
V
74
R
-
C
SER
A
594
L
-
CB
GLN
V
74
R
-
C
SER
A
594
L
-
CG
GLN
V
74
R
-
C
SER
A
594
L
-
CD
GLN
V
74
R
-
C
SER
A
594
L
-
NE2
GLN
V
74
R
-
C
SER
A
594
L
-
OE1
GLN
V
74
R
-
C
SER
A
594
L
-
HB2
GLN
V
74
R
-
C
SER
A
594
L
-
HB3
GLN
V
74
R
-
C
SER
A
594
L
-
HE22
GLN
V
74
R
-
CB
SER
A
594
L
-
CD
GLN
V
74
R
-
CB
SER
A
594
L
-
NE2
GLN
V
74
R
-
CB
SER
A
594
L
-
OE1
GLN
V
74
R
-
CB
SER
A
594
L
-
HE21
GLN
V
74
R
-
CB
SER
A
594
L
-
HE22
GLN
V
74
R
-
O
SER
A
594
L
-
CB
GLN
V
74
R
-
O
SER
A
594
L
-
CG
GLN
V
74
R
-
O
SER
A
594
L
-
CD
GLN
V
74
R
-
O
SER
A
594
L
-
NE2
GLN
V
74
R
-
O
SER
A
594
L
-
OE1
GLN
V
74
R
-
O
SER
A
594
L
-
HB2
GLN
V
74
R
-
O
SER
A
594
L
-
HB3
GLN
V
74
R
-
O
SER
A
594
L
-
HG2
GLN
V
74
R
-
O
SER
A
594
L
-
HG3
GLN
V
74
R
-
O
SER
A
594
L
-
HE21
GLN
V
74
R
-
O
SER
A
594
L
-
HE22
GLN
V
74
R
-
OG
SER
A
594
L
-
CD
GLN
V
74
R
-
OG
SER
A
594
L
-
NE2
GLN
V
74
R
-
OG
SER
A
594
L
-
OE1
GLN
V
74
R
-
OG
SER
A
594
L
-
HE21
GLN
V
74
R
-
OG
SER
A
594
L
-
HE22
GLN
V
74
R
-
N
PRO
A
595
L
-
CD
GLN
V
74
R
-
N
PRO
A
595
L
-
OE1
GLN
V
74
R
-
N
PRO
A
595
L
-
HB2
GLN
V
74
R
-
CA
PRO
A
595
L
S
CD
LYS
V
5
R
-
CA
PRO
A
595
L
S
HD2
LYS
V
5
R
-
CA
PRO
A
595
L
S
HD3
LYS
V
5
R
-
CA
PRO
A
595
L
S
HZ3
LYS
V
5
R
-
CA
PRO
A
595
L
-
OE1
GLN
V
74
R
-
CA
PRO
A
595
L
-
HB2
GLN
V
74
R
-
C
PRO
A
595
L
S
HD3
LYS
V
5
R
-
C
PRO
A
595
L
S
HZ3
LYS
V
5
R
-
C
PRO
A
595
L
S
HZ2
TRP
V
56
R
-
C
PRO
A
595
L
-
OE1
GLN
V
74
R
-
C
PRO
A
595
L
-
HB2
GLN
V
74
R
-
CB
PRO
A
595
L
S
CD
LYS
V
5
R
-
CB
PRO
A
595
L
S
HB2
LYS
V
5
R
-
CB
PRO
A
595
L
S
HD3
LYS
V
5
R
-
CB
PRO
A
595
L
S
HZ3
LYS
V
5
R
-
CB
PRO
A
595
L
S
HZ2
TRP
V
56
R
-
CB
PRO
A
595
L
S
HE1
TRP
V
56
R
-
O
PRO
A
595
L
S
HZ2
TRP
V
56
R
-
O
PRO
A
595
L
-
OE1
GLN
V
74
R
-
CG
PRO
A
595
L
S
HB2
LYS
V
5
R
-
CG
PRO
A
595
L
S
HD3
LYS
V
5
R
-
CG
PRO
A
595
L
S
HD21
ASN
V
54
R
-
N
ALA
A
596
L
S
NZ
LYS
V
5
R
-
N
ALA
A
596
L
S
HD3
LYS
V
5
R
-
N
ALA
A
596
L
S
HZ1
LYS
V
5
R
-
N
ALA
A
596
L
S
HZ2
LYS
V
5
R
-
N
ALA
A
596
L
S
HZ3
LYS
V
5
R
-
N
ALA
A
596
L
S
HZ2
TRP
V
56
R
-
N
ALA
A
596
L
-
O
PRO
V
73
R
-
N
ALA
A
596
L
-
OE1
GLN
V
74
R
-
N
ALA
A
596
L
-
HB2
GLN
V
74
R
-
CA
ALA
A
596
L
S
NZ
LYS
V
5
R
-
CA
ALA
A
596
L
S
HZ1
LYS
V
5
R
-
CA
ALA
A
596
L
S
HZ2
LYS
V
5
R
-
CA
ALA
A
596
L
S
HZ3
LYS
V
5
R
-
CA
ALA
A
596
L
S
HH2
TRP
V
56
R
-
CA
ALA
A
596
L
-
HB2
PRO
V
73
R
-
C
ALA
A
596
L
S
NZ
LYS
V
5
R
-
C
ALA
A
596
L
S
HZ1
LYS
V
5
R
-
C
ALA
A
596
L
S
HZ3
LYS
V
5
R
-
C
ALA
A
596
L
S
CH2
TRP
V
56
R
-
C
ALA
A
596
L
S
CZ2
TRP
V
56
R
-
C
ALA
A
596
L
S
CZ3
TRP
V
56
R
-
C
ALA
A
596
L
S
HH2
TRP
V
56
R
-
C
ALA
A
596
L
S
HZ2
TRP
V
56
R
-
C
ALA
A
596
L
S
HZ3
TRP
V
56
R
-
CB
ALA
A
596
L
S
NZ
LYS
V
5
R
-
CB
ALA
A
596
L
S
HZ1
LYS
V
5
R
-
CB
ALA
A
596
L
S
HZ2
LYS
V
5
R
-
CB
ALA
A
596
L
S
HZ3
LYS
V
5
R
-
CB
ALA
A
596
L
H
O
LEU
V
70
R
-
CB
ALA
A
596
L
-
CB
PRO
V
73
R
-
CB
ALA
A
596
L
-
O
PRO
V
73
R
-
CB
ALA
A
596
L
-
CG
PRO
V
73
R
-
CB
ALA
A
596
L
-
HB2
PRO
V
73
R
-
CB
ALA
A
596
L
-
HG2
PRO
V
73
R
-
CB
ALA
A
596
L
-
HD3
PRO
V
73
R
-
O
ALA
A
596
L
S
NZ
LYS
V
5
R
-
O
ALA
A
596
L
S
HZ1
LYS
V
5
R
-
O
ALA
A
596
L
S
HZ2
LYS
V
5
R
-
O
ALA
A
596
L
S
HZ3
LYS
V
5
R
-
O
ALA
A
596
L
S
CE2
TRP
V
56
R
-
O
ALA
A
596
L
S
CE3
TRP
V
56
R
-
O
ALA
A
596
L
S
CH2
TRP
V
56
R
-
O
ALA
A
596
L
S
CZ2
TRP
V
56
R
-
O
ALA
A
596
L
S
CZ3
TRP
V
56
R
-
O
ALA
A
596
L
S
HH2
TRP
V
56
R
-
O
ALA
A
596
L
S
HZ2
TRP
V
56
R
-
O
ALA
A
596
L
S
HZ3
TRP
V
56
R
-
O
ALA
A
596
L
H
HA
SER
V
71
R
-
N
LEU
A
597
L
S
CH2
TRP
V
56
R
-
N
LEU
A
597
L
S
CZ3
TRP
V
56
R
-
N
LEU
A
597
L
S
HH2
TRP
V
56
R
-
N
LEU
A
597
L
S
HZ3
TRP
V
56
R
-
CA
LEU
A
597
L
S
CH2
TRP
V
56
R
-
CA
LEU
A
597
L
S
CZ3
TRP
V
56
R
-
CA
LEU
A
597
L
S
HH2
TRP
V
56
R
-
CA
LEU
A
597
L
S
HZ3
TRP
V
56
R
-
C
LEU
A
597
L
S
CH2
TRP
V
56
R
-
C
LEU
A
597
L
S
CZ3
TRP
V
56
R
-
C
LEU
A
597
L
S
HH2
TRP
V
56
R
-
C
LEU
A
597
L
S
HZ3
TRP
V
56
R
-
CB
LEU
A
597
L
S
HH2
TRP
V
56
R
-
O
LEU
A
597
L
S
HH2
TRP
V
56
R
-
O
LEU
A
597
L
S
HZ3
TRP
V
56
R
-
O
LEU
A
597
L
H
O
LEU
V
70
R
-
O
LEU
A
597
L
H
HB3
LEU
V
70
R
-
CG
LEU
A
597
L
S
HH2
TRP
V
56
R
-
N
VAL
A
598
L
S
CZ
PHE
V
37
R
-
N
VAL
A
598
L
S
HE1
PHE
V
37
R
-
N
VAL
A
598
L
S
HZ
PHE
V
37
R
-
N
VAL
A
598
L
S
CH2
TRP
V
56
R
-
N
VAL
A
598
L
S
CZ3
TRP
V
56
R
-
N
VAL
A
598
L
S
HH2
TRP
V
56
R
-
N
VAL
A
598
L
S
HZ3
TRP
V
56
R
-
N
VAL
A
598
L
H
HA
SER
V
71
R
-
CA
VAL
A
598
L
S
CZ3
TRP
V
56
R
-
CA
VAL
A
598
L
S
HZ3
TRP
V
56
R
-
CA
VAL
A
598
L
H
HB2
LEU
V
70
R
-
CA
VAL
A
598
L
H
OG
SER
V
71
R
-
CA
VAL
A
598
L
H
HA
SER
V
71
R
-
C
VAL
A
598
L
S
CD1
PHE
V
37
R
-
C
VAL
A
598
L
S
CE1
PHE
V
37
R
-
C
VAL
A
598
L
S
HD1
PHE
V
37
R
-
C
VAL
A
598
L
S
HE1
PHE
V
37
R
-
CB
VAL
A
598
L
S
CG
PHE
V
37
R
-
CB
VAL
A
598
L
S
CD1
PHE
V
37
R
-
CB
VAL
A
598
L
S
CD2
PHE
V
37
R
-
CB
VAL
A
598
L
S
CE1
PHE
V
37
R
-
CB
VAL
A
598
L
S
CE2
PHE
V
37
R
-
CB
VAL
A
598
L
S
CZ
PHE
V
37
R
-
CB
VAL
A
598
L
S
HD2
PHE
V
37
R
-
CB
VAL
A
598
L
S
HE2
PHE
V
37
R
-
CB
VAL
A
598
L
S
HZ
PHE
V
37
R
-
CB
VAL
A
598
L
S
CE3
TRP
V
56
R
-
CB
VAL
A
598
L
S
CZ3
TRP
V
56
R
-
CB
VAL
A
598
L
S
HE3
TRP
V
56
R
-
CB
VAL
A
598
L
S
HZ3
TRP
V
56
R
-
CB
VAL
A
598
L
H
HB2
LEU
V
70
R
-
CB
VAL
A
598
L
H
N
SER
V
71
R
-
CB
VAL
A
598
L
H
CA
SER
V
71
R
-
CB
VAL
A
598
L
H
CB
SER
V
71
R
-
CB
VAL
A
598
L
H
OG
SER
V
71
R
-
CB
VAL
A
598
L
H
H
SER
V
71
R
-
CB
VAL
A
598
L
H
HA
SER
V
71
R
-
CB
VAL
A
598
L
H
HG
SER
V
71
R
-
O
VAL
A
598
L
S
CG
PHE
V
37
R
-
O
VAL
A
598
L
S
CD1
PHE
V
37
R
-
O
VAL
A
598
L
S
CE1
PHE
V
37
R
-
O
VAL
A
598
L
S
CZ
PHE
V
37
R
-
O
VAL
A
598
L
S
HD1
PHE
V
37
R
-
O
VAL
A
598
L
S
HE1
PHE
V
37
R
-
CG1
VAL
A
598
L
S
CG
PHE
V
37
R
-
CG1
VAL
A
598
L
S
CD2
PHE
V
37
R
-
CG1
VAL
A
598
L
S
HB2
PHE
V
37
R
-
CG1
VAL
A
598
L
S
HD2
PHE
V
37
R
-
CG1
VAL
A
598
L
H
O
LEU
V
67
R
-
CG1
VAL
A
598
L
H
HG
LEU
V
67
R
-
CG1
VAL
A
598
L
H
HD11
LEU
V
67
R
-
CG1
VAL
A
598
L
H
HA
ARG
V
68
R
-
CG1
VAL
A
598
L
H
HB2
LEU
V
70
R
-
CG1
VAL
A
598
L
H
N
SER
V
71
R
-
CG1
VAL
A
598
L
H
OG
SER
V
71
R
-
CG1
VAL
A
598
L
H
H
SER
V
71
R
-
CG1
VAL
A
598
L
H
HG
SER
V
71
R
-
CG2
VAL
A
598
L
S
CE2
PHE
V
37
R
-
CG2
VAL
A
598
L
S
HE2
PHE
V
37
R
-
CG2
VAL
A
598
L
S
CE3
TRP
V
56
R
-
CG2
VAL
A
598
L
S
CZ3
TRP
V
56
R
-
CG2
VAL
A
598
L
S
HE3
TRP
V
56
R
-
CG2
VAL
A
598
L
S
HZ3
TRP
V
56
R
-
CG2
VAL
A
598
L
H
C
LEU
V
70
R
-
CG2
VAL
A
598
L
H
O
LEU
V
70
R
-
CG2
VAL
A
598
L
H
HB2
LEU
V
70
R
-
CG2
VAL
A
598
L
H
N
SER
V
71
R
-
CG2
VAL
A
598
L
H
CA
SER
V
71
R
-
CG2
VAL
A
598
L
H
C
SER
V
71
R
-
CG2
VAL
A
598
L
H
CB
SER
V
71
R
-
CG2
VAL
A
598
L
H
OG
SER
V
71
R
-
CG2
VAL
A
598
L
H
H
SER
V
71
R
-
CG2
VAL
A
598
L
H
HA
SER
V
71
R
-
CG2
VAL
A
598
L
H
HB2
SER
V
71
R
-
CG2
VAL
A
598
L
H
HB3
SER
V
71
R
-
CG2
VAL
A
598
L
H
HG
SER
V
71
R
-
N
PRO
A
599
L
H
HD11
LEU
V
67
R
-
N
PRO
A
599
L
H
HD12
LEU
V
67
R
-
CA
PRO
A
599
L
H
HD12
LEU
V
67
R
-
C
PRO
A
599
L
S
HB3
PHE
V
37
R
-
C
PRO
A
599
L
S
HD1
PHE
V
37
R
-
C
PRO
A
599
L
H
CD1
LEU
V
67
R
-
C
PRO
A
599
L
H
HD12
LEU
V
67
R
-
C
PRO
A
599
L
H
HD22
LEU
V
67
R
-
CB
PRO
A
599
L
H
CD1
LEU
V
67
R
-
CB
PRO
A
599
L
H
HD12
LEU
V
67
R
-
O
PRO
A
599
L
-
HG11
VAL
V
36
R
-
O
PRO
A
599
L
S
HB3
PHE
V
37
R
-
O
PRO
A
599
L
H
CG
LEU
V
67
R
-
O
PRO
A
599
L
H
CD1
LEU
V
67
R
-
O
PRO
A
599
L
H
CD2
LEU
V
67
R
-
O
PRO
A
599
L
H
HG
LEU
V
67
R
-
O
PRO
A
599
L
H
HD11
LEU
V
67
R
-
O
PRO
A
599
L
H
HD12
LEU
V
67
R
-
O
PRO
A
599
L
H
HD13
LEU
V
67
R
-
O
PRO
A
599
L
H
HD22
LEU
V
67
R
-
O
PRO
A
599
L
H
HD23
LEU
V
67
R
-
CG
PRO
A
599
L
H
CD1
LEU
V
67
R
-
CG
PRO
A
599
L
H
HD11
LEU
V
67
R
-
CG
PRO
A
599
L
H
HD12
LEU
V
67
R
-
CG
PRO
A
599
L
H
HD13
LEU
V
67
R
-
CG
PRO
A
599
L
H
CD1
LEU
V
70
R
-
CG
PRO
A
599
L
H
HD11
LEU
V
70
R
-
CG
PRO
A
599
L
H
HD13
LEU
V
70
R
-
CD
PRO
A
599
L
H
CD1
LEU
V
67
R
-
CD
PRO
A
599
L
H
HD11
LEU
V
67
R
-
CD
PRO
A
599
L
H
HD12
LEU
V
67
R
-
CD
PRO
A
599
L
H
HD13
LEU
V
67
R
-
CD
PRO
A
599
L
H
CD1
LEU
V
70
R
-
CD
PRO
A
599
L
H
HB2
LEU
V
70
R
-
CD
PRO
A
599
L
H
HB3
LEU
V
70
R
-
CD
PRO
A
599
L
H
HD11
LEU
V
70
R
-
CD
PRO
A
599
L
H
HD13
LEU
V
70
R
-
N
SER
A
600
L
S
HB3
PHE
V
37
R
-
N
SER
A
600
L
S
HD1
PHE
V
37
R
-
CA
SER
A
600
L
S
HB3
PHE
V
37
R
-
CA
SER
A
600
L
S
HD1
PHE
V
37
R
-
C
SER
A
600
L
-
HG12
VAL
V
36
R
-
C
SER
A
600
L
H
HD22
LEU
V
67
R
-
CB
SER
A
600
L
S
HB3
PHE
V
37
R
-
CB
SER
A
600
L
S
HD1
PHE
V
37
R
-
OG
SER
A
600
L
S
HD1
PHE
V
37
R
-
N
ILE
A
601
L
-
CG1
VAL
V
36
R
-
N
ILE
A
601
L
-
HB
VAL
V
36
R
-
N
ILE
A
601
L
-
HG11
VAL
V
36
R
-
N
ILE
A
601
L
-
HG12
VAL
V
36
R
-
N
ILE
A
601
L
H
HD22
LEU
V
67
R
-
CA
ILE
A
601
L
-
CG1
VAL
V
36
R
-
CA
ILE
A
601
L
-
HG12
VAL
V
36
R
-
CA
ILE
A
601
L
-
HG23
VAL
V
36
R
-
C
ILE
A
601
L
-
CB
VAL
V
36
R
-
C
ILE
A
601
L
-
CG1
VAL
V
36
R
-
C
ILE
A
601
L
-
CG2
VAL
V
36
R
-
C
ILE
A
601
L
-
HB
VAL
V
36
R
-
C
ILE
A
601
L
-
HG12
VAL
V
36
R
-
C
ILE
A
601
L
-
HG23
VAL
V
36
R
-
CB
ILE
A
601
L
-
CG1
VAL
V
36
R
-
CB
ILE
A
601
L
-
HG12
VAL
V
36
R
-
CB
ILE
A
601
L
-
HG13
VAL
V
36
R
-
CB
ILE
A
601
L
-
HG23
VAL
V
36
R
-
CB
ILE
A
601
L
H
HE1
TYR
V
64
R
-
CB
ILE
A
601
L
H
HD22
LEU
V
67
R
-
CB
ILE
A
601
L
H
HD23
LEU
V
67
R
-
O
ILE
A
601
L
-
CB
VAL
V
36
R
-
O
ILE
A
601
L
-
CG1
VAL
V
36
R
-
O
ILE
A
601
L
-
CG2
VAL
V
36
R
-
O
ILE
A
601
L
-
HB
VAL
V
36
R
-
O
ILE
A
601
L
-
HG11
VAL
V
36
R
-
O
ILE
A
601
L
-
HG12
VAL
V
36
R
-
O
ILE
A
601
L
-
HG13
VAL
V
36
R
-
O
ILE
A
601
L
-
HG21
VAL
V
36
R
-
O
ILE
A
601
L
-
HG22
VAL
V
36
R
-
O
ILE
A
601
L
-
HG23
VAL
V
36
R
-
CG1
ILE
A
601
L
-
HG12
VAL
V
36
R
-
CG1
ILE
A
601
L
H
CD2
LEU
V
67
R
-
CG1
ILE
A
601
L
H
HD21
LEU
V
67
R
-
CG1
ILE
A
601
L
H
HD22
LEU
V
67
R
-
CG1
ILE
A
601
L
H
HD23
LEU
V
67
R
-
CG2
ILE
A
601
L
-
HG12
VAL
V
36
R
-
CG2
ILE
A
601
L
H
HE1
TYR
V
64
R
-
CD1
ILE
A
601
L
H
HD1
TYR
V
64
R
-
CD1
ILE
A
601
L
H
HE1
TYR
V
64
R
-
CD1
ILE
A
601
L
H
CD2
LEU
V
67
R
-
CD1
ILE
A
601
L
H
HD13
LEU
V
67
R
-
CD1
ILE
A
601
L
H
HD21
LEU
V
67
R
-
CD1
ILE
A
601
L
H
HD22
LEU
V
67
R
-
CD1
ILE
A
601
L
H
HD23
LEU
V
67
R
-
N
PRO
A
602
L
-
HG23
VAL
V
36
R
-
CA
PRO
A
602
L
-
HG23
VAL
V
36
R
-
C
PRO
A
602
L
-
HG23
VAL
V
36
R
-
N
THR
A
603
L
-
CG2
VAL
V
36
R
-
N
THR
A
603
L
-
HG21
VAL
V
36
R
-
N
THR
A
603
L
-
HG23
VAL
V
36
R
-
CA
THR
A
603
L
-
HG21
VAL
V
36
R
-
CA
THR
A
603
L
-
HG23
VAL
V
36
R
-
CB
THR
A
603
L
-
O
PRO
V
34
R
-
CB
THR
A
603
L
-
CG2
VAL
V
36
R
-
CB
THR
A
603
L
-
HG21
VAL
V
36
R
-
CB
THR
A
603
L
-
HG22
VAL
V
36
R
-
CB
THR
A
603
L
-
HG23
VAL
V
36
R
-
CG2
THR
A
603
L
-
O
PRO
V
34
R
-
CG2
THR
A
603
L
-
HB2
PRO
V
34
R
-
CG2
THR
A
603
L
-
CG2
VAL
V
36
R
-
CG2
THR
A
603
L
-
HG21
VAL
V
36
R
-
CG2
THR
A
603
L
-
HG22
VAL
V
36
R
-
CG2
THR
A
603
L
-
HG23
VAL
V
36
R
-
CG2
THR
A
603
L
-
HE22
GLN
V
61
R
-
CG2
THR
A
603
L
H
OH
TYR
V
64
R
-
CG2
THR
A
603
L
H
CZ
TYR
V
64
R
-
CG2
THR
A
603
L
H
HE2
TYR
V
64
R
-
CG2
THR
A
603
L
H
HH
TYR
V
64
R
-
OG1
THR
A
603
L
-
HG22
ILE
V
33
R
-
OG1
THR
A
603
L
-
O
PRO
V
34
R
-
OG1
THR
A
603
L
-
CG2
VAL
V
36
R
-
OG1
THR
A
603
L
-
H
VAL
V
36
R
-
OG1
THR
A
603
L
-
HG21
VAL
V
36
R
-
OG1
THR
A
603
L
-
HG22
VAL
V
36
R
-
OG1
THR
A
603
L
-
HG23
VAL
V
36
R
-
CG
ASN
A
605
L
-
HD2
PRO
V
34
R
-
ND2
ASN
A
605
L
-
HA
ILE
V
33
R
-
ND2
ASN
A
605
L
-
HG23
ILE
V
33
R
-
ND2
ASN
A
605
L
-
CD
PRO
V
34
R
-
ND2
ASN
A
605
L
-
HG3
PRO
V
34
R
-
ND2
ASN
A
605
L
-
HD2
PRO
V
34
R
-
ND2
ASN
A
605
L
-
HD3
PRO
V
34
R
-
OD1
ASN
A
605
L
-
HG3
PRO
V
34
R
-
OD1
ASN
A
605
L
-
HD2
PRO
V
34
R
-
OG
SER
A
665
L
H
HG2
GLU
V
63
R
-
C
PRO
A
666
L
H
CG
GLU
V
63
R
-
C
PRO
A
666
L
H
CD
GLU
V
63
R
-
C
PRO
A
666
L
H
OE1
GLU
V
63
R
-
C
PRO
A
666
L
H
HG2
GLU
V
63
R
-
C
PRO
A
666
L
H
HG3
GLU
V
63
R
-
O
PRO
A
666
L
H
CG
GLU
V
63
R
-
O
PRO
A
666
L
H
CD
GLU
V
63
R
-
O
PRO
A
666
L
H
OE1
GLU
V
63
R
-
O
PRO
A
666
L
H
HB3
GLU
V
63
R
-
O
PRO
A
666
L
H
HG2
GLU
V
63
R
-
O
PRO
A
666
L
H
HG3
GLU
V
63
R
-
N
VAL
A
667
L
H
CG
GLU
V
63
R
-
N
VAL
A
667
L
H
CD
GLU
V
63
R
-
N
VAL
A
667
L
H
OE1
GLU
V
63
R
-
N
VAL
A
667
L
H
HG2
GLU
V
63
R
-
N
VAL
A
667
L
H
HG3
GLU
V
63
R
-
CA
VAL
A
667
L
H
CG
GLU
V
63
R
-
CA
VAL
A
667
L
H
CD
GLU
V
63
R
-
CA
VAL
A
667
L
H
OE1
GLU
V
63
R
-
CA
VAL
A
667
L
H
OE2
GLU
V
63
R
-
CA
VAL
A
667
L
H
HG2
GLU
V
63
R
-
CA
VAL
A
667
L
H
HG3
GLU
V
63
R
-
C
VAL
A
667
L
H
CG
GLU
V
63
R
-
C
VAL
A
667
L
H
CD
GLU
V
63
R
-
C
VAL
A
667
L
H
OE1
GLU
V
63
R
-
C
VAL
A
667
L
H
HG2
GLU
V
63
R
-
C
VAL
A
667
L
H
HG3
GLU
V
63
R
-
CB
VAL
A
667
L
H
CD
GLU
V
63
R
-
CB
VAL
A
667
L
H
OE1
GLU
V
63
R
-
CB
VAL
A
667
L
H
OE2
GLU
V
63
R
-
CB
VAL
A
667
L
H
HG3
GLU
V
63
R
-
O
VAL
A
667
L
H
OE1
GLU
V
63
R
-
O
VAL
A
667
L
H
HG3
GLU
V
63
R
-
CG1
VAL
A
667
L
H
CB
GLU
V
62
R
-
CG1
VAL
A
667
L
H
OE2
GLU
V
62
R
-
CG1
VAL
A
667
L
H
H
GLU
V
62
R
-
CG1
VAL
A
667
L
H
HB3
GLU
V
62
R
-
CG1
VAL
A
667
L
H
CD
GLU
V
63
R
-
CG1
VAL
A
667
L
H
OE1
GLU
V
63
R
-
CG1
VAL
A
667
L
H
OE2
GLU
V
63
R
-
CG2
VAL
A
667
L
H
CD
GLU
V
63
R
-
CG2
VAL
A
667
L
H
OE1
GLU
V
63
R
-
N
LEU
A
668
L
H
N
GLU
V
63
R
-
N
LEU
A
668
L
H
CA
GLU
V
63
R
-
N
LEU
A
668
L
H
CB
GLU
V
63
R
-
N
LEU
A
668
L
H
CG
GLU
V
63
R
-
N
LEU
A
668
L
H
CD
GLU
V
63
R
-
N
LEU
A
668
L
H
OE1
GLU
V
63
R
-
N
LEU
A
668
L
H
H
GLU
V
63
R
-
N
LEU
A
668
L
H
HA
GLU
V
63
R
-
N
LEU
A
668
L
H
HB3
GLU
V
63
R
-
N
LEU
A
668
L
H
HG2
GLU
V
63
R
-
N
LEU
A
668
L
H
HG3
GLU
V
63
R
-
CA
LEU
A
668
L
H
N
GLU
V
63
R
-
CA
LEU
A
668
L
H
CA
GLU
V
63
R
-
CA
LEU
A
668
L
H
CB
GLU
V
63
R
-
CA
LEU
A
668
L
H
CG
GLU
V
63
R
-
CA
LEU
A
668
L
H
HA
GLU
V
63
R
-
CA
LEU
A
668
L
H
HG3
GLU
V
63
R
-
C
LEU
A
668
L
H
C
GLU
V
62
R
-
C
LEU
A
668
L
H
CB
GLU
V
62
R
-
C
LEU
A
668
L
H
O
GLU
V
62
R
-
C
LEU
A
668
L
H
HB2
GLU
V
62
R
-
C
LEU
A
668
L
H
HB3
GLU
V
62
R
-
C
LEU
A
668
L
H
N
GLU
V
63
R
-
C
LEU
A
668
L
H
CA
GLU
V
63
R
-
C
LEU
A
668
L
H
HA
GLU
V
63
R
-
C
LEU
A
668
L
H
HG3
GLU
V
63
R
-
CB
LEU
A
668
L
H
N
GLU
V
63
R
-
CB
LEU
A
668
L
H
CA
GLU
V
63
R
-
CB
LEU
A
668
L
H
C
GLU
V
63
R
-
CB
LEU
A
668
L
H
CB
GLU
V
63
R
-
CB
LEU
A
668
L
H
O
GLU
V
63
R
-
CB
LEU
A
668
L
H
CG
GLU
V
63
R
-
CB
LEU
A
668
L
H
HA
GLU
V
63
R
-
CB
LEU
A
668
L
H
HB3
GLU
V
63
R
-
CB
LEU
A
668
L
H
HG3
GLU
V
63
R
-
O
LEU
A
668
L
H
CA
GLU
V
62
R
-
O
LEU
A
668
L
H
C
GLU
V
62
R
-
O
LEU
A
668
L
H
CB
GLU
V
62
R
-
O
LEU
A
668
L
H
O
GLU
V
62
R
-
O
LEU
A
668
L
H
HA
GLU
V
62
R
-
O
LEU
A
668
L
H
HB2
GLU
V
62
R
-
O
LEU
A
668
L
H
HB3
GLU
V
62
R
-
O
LEU
A
668
L
H
N
GLU
V
63
R
-
O
LEU
A
668
L
H
CA
GLU
V
63
R
-
O
LEU
A
668
L
H
H
GLU
V
63
R
-
O
LEU
A
668
L
H
HA
GLU
V
63
R
-
O
LEU
A
668
L
H
HG3
GLU
V
63
R
-
CG
LEU
A
668
L
H
HA
GLU
V
63
R
-
CG
LEU
A
668
L
H
HG3
GLU
V
63
R
-
CD1
LEU
A
668
L
H
HA
GLU
V
63
R
-
CD1
LEU
A
668
L
H
HB3
GLU
V
63
R
-
CD1
LEU
A
668
L
H
HG3
GLU
V
63
R
-
N
TRP
A
669
L
H
HB2
GLU
V
62
R
-
CA
TRP
A
669
L
H
OE2
GLU
V
62
R
-
CA
TRP
A
669
L
H
HB2
GLU
V
62
R
-
C
TRP
A
669
L
H
HB2
GLU
V
62
R
-
CG
TRP
A
669
L
H
OE2
GLU
V
62
R
-
CD1
TRP
A
669
L
H
OE2
GLU
V
62
R
-
N
GLY
A
670
L
H
HB2
GLU
V
62
R
-
N
GLY
A
670
L
H
OD2
ASP
V
65
R
-
CA
GLY
A
670
L
H
OD2
ASP
V
65
R
-
CA
GLY
A
670
L
H
HB3
ASP
V
65
R
-
C
GLY
A
670
L
H
CG
ASP
V
65
R
-
C
GLY
A
670
L
H
OD2
ASP
V
65
R
-
O
GLY
A
670
L
H
CB
ASP
V
65
R
-
O
GLY
A
670
L
H
CG
ASP
V
65
R
-
O
GLY
A
670
L
H
OD1
ASP
V
65
R
-
O
GLY
A
670
L
H
OD2
ASP
V
65
R
-
O
GLY
A
670
L
H
HB2
ASP
V
65
R
-
O
GLY
A
670
L
H
HB3
ASP
V
65
R
-
N
TRP
A
671
L
H
OD2
ASP
V
65
R
-
CE2
TRP
A
671
L
H
OE1
GLU
V
62
R
-
CE3
TRP
A
671
L
H
O
HIS
V
95
R
-
CE3
TRP
A
671
L
H
HA
LYS
V
96
R
-
CE3
TRP
A
671
L
H
HB3
LYS
V
96
R
-
CE3
TRP
A
671
L
H
HG2
LYS
V
96
R
-
CE3
TRP
A
671
L
H
HD2
LYS
V
96
R
-
NE1
TRP
A
671
L
H
OE1
GLU
V
62
R
-
CH2
TRP
A
671
L
H
HB3
LYS
V
96
R
-
CH2
TRP
A
671
L
H
HD2
LYS
V
96
R
-
CZ2
TRP
A
671
L
H
OE1
GLU
V
62
R
-
CZ2
TRP
A
671
L
H
HD2
LYS
V
96
R
-
CZ3
TRP
A
671
L
H
C
HIS
V
95
R
-
CZ3
TRP
A
671
L
H
O
HIS
V
95
R
-
CZ3
TRP
A
671
L
H
HB3
HIS
V
95
R
-
CZ3
TRP
A
671
L
H
CB
LYS
V
96
R
-
CZ3
TRP
A
671
L
H
HA
LYS
V
96
R
-
CZ3
TRP
A
671
L
H
HB3
LYS
V
96
R
-
CZ3
TRP
A
671
L
H
HD2
LYS
V
96
R
-
C
SER
A
672
L
H
HA
GLU
V
100
R
-
CB
SER
A
672
L
H
HG3
GLU
V
100
R
-
O
SER
A
672
L
H
HB2
PRO
V
99
R
-
O
SER
A
672
L
H
N
GLU
V
100
R
-
O
SER
A
672
L
H
CA
GLU
V
100
R
-
O
SER
A
672
L
H
CB
GLU
V
100
R
-
O
SER
A
672
L
H
H
GLU
V
100
R
-
O
SER
A
672
L
H
HA
GLU
V
100
R
-
O
SER
A
672
L
H
HB2
GLU
V
100
R
-
O
SER
A
672
L
H
HG3
GLU
V
100
R
-
OG
SER
A
672
L
H
CB
GLU
V
100
R
-
OG
SER
A
672
L
H
CG
GLU
V
100
R
-
OG
SER
A
672
L
H
CD
GLU
V
100
R
-
OG
SER
A
672
L
H
OE2
GLU
V
100
R
-
OG
SER
A
672
L
H
HA
GLU
V
100
R
-
OG
SER
A
672
L
H
HB2
GLU
V
100
R
-
OG
SER
A
672
L
H
HG3
GLU
V
100
R
-
OG
SER
A
672
L
H
HE2
HIS
V
104
R
-
CA
LEU
A
673
L
H
CB
PRO
V
99
R
-
CA
LEU
A
673
L
H
HB2
PRO
V
99
R
-
CA
LEU
A
673
L
H
HB3
PRO
V
99
R
-
C
LEU
A
673
L
H
CB
PRO
V
99
R
-
C
LEU
A
673
L
H
O
PRO
V
99
R
-
C
LEU
A
673
L
H
HB2
PRO
V
99
R
-
C
LEU
A
673
L
H
HB3
PRO
V
99
R
-
C
LEU
A
673
L
H
HB3
HIS
V
103
R
-
CB
LEU
A
673
L
H
HB3
PRO
V
99
R
-
O
LEU
A
673
L
H
CB
HIS
V
103
R
-
O
LEU
A
673
L
H
CG
HIS
V
103
R
-
O
LEU
A
673
L
H
ND1
HIS
V
103
R
-
O
LEU
A
673
L
H
HB3
HIS
V
103
R
-
CD2
LEU
A
673
L
H
HB3
PRO
V
99
R
-
N
PRO
A
674
L
H
CA
PRO
V
99
R
-
N
PRO
A
674
L
H
C
PRO
V
99
R
-
N
PRO
A
674
L
H
CB
PRO
V
99
R
-
N
PRO
A
674
L
H
O
PRO
V
99
R
-
N
PRO
A
674
L
H
HA
PRO
V
99
R
-
N
PRO
A
674
L
H
HB2
PRO
V
99
R
-
N
PRO
A
674
L
H
HB3
PRO
V
99
R
-
N
PRO
A
674
L
H
HB3
HIS
V
103
R
-
CA
PRO
A
674
L
H
CA
PRO
V
99
R
-
CA
PRO
A
674
L
H
C
PRO
V
99
R
-
CA
PRO
A
674
L
H
CB
PRO
V
99
R
-
CA
PRO
A
674
L
H
O
PRO
V
99
R
-
CA
PRO
A
674
L
H
HA
PRO
V
99
R
-
CA
PRO
A
674
L
H
HB3
PRO
V
99
R
-
CA
PRO
A
674
L
H
N
HIS
V
103
R
-
CA
PRO
A
674
L
H
CA
HIS
V
103
R
-
CA
PRO
A
674
L
H
CB
HIS
V
103
R
-
CA
PRO
A
674
L
H
H
HIS
V
103
R
-
CA
PRO
A
674
L
H
HA
HIS
V
103
R
-
CA
PRO
A
674
L
H
HB2
HIS
V
103
R
-
CA
PRO
A
674
L
H
HB3
HIS
V
103
R
-
C
PRO
A
674
L
H
HB3
HIS
V
103
R
-
CB
PRO
A
674
L
H
CA
PRO
V
99
R
-
CB
PRO
A
674
L
H
C
PRO
V
99
R
-
CB
PRO
A
674
L
H
CB
PRO
V
99
R
-
CB
PRO
A
674
L
H
O
PRO
V
99
R
-
CB
PRO
A
674
L
H
HA
PRO
V
99
R
-
CB
PRO
A
674
L
H
HB3
PRO
V
99
R
-
CB
PRO
A
674
L
H
C
CYS
V
102
R
-
CB
PRO
A
674
L
H
CB
CYS
V
102
R
-
CB
PRO
A
674
L
H
HB2
CYS
V
102
R
-
CB
PRO
A
674
L
H
HB3
CYS
V
102
R
-
CB
PRO
A
674
L
H
N
HIS
V
103
R
-
CB
PRO
A
674
L
H
CA
HIS
V
103
R
-
CB
PRO
A
674
L
H
CB
HIS
V
103
R
-
CB
PRO
A
674
L
H
H
HIS
V
103
R
-
CB
PRO
A
674
L
H
HA
HIS
V
103
R
-
CB
PRO
A
674
L
H
HB3
HIS
V
103
R
-
O
PRO
A
674
L
H
HB3
PRO
V
99
R
-
CG
PRO
A
674
L
H
C
HIS
V
98
R
-
CG
PRO
A
674
L
H
O
HIS
V
98
R
-
CG
PRO
A
674
L
H
N
PRO
V
99
R
-
CG
PRO
A
674
L
H
CA
PRO
V
99
R
-
CG
PRO
A
674
L
H
C
PRO
V
99
R
-
CG
PRO
A
674
L
H
CB
PRO
V
99
R
-
CG
PRO
A
674
L
H
O
PRO
V
99
R
-
CG
PRO
A
674
L
H
CG
PRO
V
99
R
-
CG
PRO
A
674
L
H
CD
PRO
V
99
R
-
CG
PRO
A
674
L
H
HA
PRO
V
99
R
-
CG
PRO
A
674
L
H
HB2
PRO
V
99
R
-
CG
PRO
A
674
L
H
HB3
PRO
V
99
R
-
CG
PRO
A
674
L
H
HG2
PRO
V
99
R
-
CG
PRO
A
674
L
H
N
GLU
V
100
R
-
CG
PRO
A
674
L
H
H
GLU
V
100
R
-
CG
PRO
A
674
L
H
HB2
CYS
V
102
R
-
CG
PRO
A
674
L
H
H
HIS
V
103
R
-
CG
PRO
A
674
L
H
HB3
HIS
V
103
R
-
CD
PRO
A
674
L
H
N
PRO
V
99
R
-
CD
PRO
A
674
L
H
CA
PRO
V
99
R
-
CD
PRO
A
674
L
H
C
PRO
V
99
R
-
CD
PRO
A
674
L
H
CB
PRO
V
99
R
-
CD
PRO
A
674
L
H
O
PRO
V
99
R
-
CD
PRO
A
674
L
H
CG
PRO
V
99
R
-
CD
PRO
A
674
L
H
CD
PRO
V
99
R
-
CD
PRO
A
674
L
H
HA
PRO
V
99
R
-
CD
PRO
A
674
L
H
HB2
PRO
V
99
R
-
CD
PRO
A
674
L
H
HB3
PRO
V
99
R
-
CD
PRO
A
674
L
H
HG2
PRO
V
99
R
-
CD
PRO
A
674
L
H
HG3
PRO
V
99
R
-
CD
PRO
A
674
L
H
N
GLU
V
100
R
-
CD
PRO
A
674
L
H
H
GLU
V
100
R
-
CD
PRO
A
674
L
H
HB3
HIS
V
103
R
-
N
SER
A
675
L
H
ND1
HIS
V
103
R
-
N
SER
A
675
L
H
HA
HIS
V
103
R
-
N
SER
A
675
L
H
HB3
HIS
V
103
R
-
OG
SER
A
675
L
H
ND1
HIS
V
103
R
-
OG
SER
A
675
L
H
CE1
HIS
V
103
R
-
OG
SER
A
675
L
H
HE1
HIS
V
103