A1IGU5_Q8N5V2.1
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
-
GLU
A
10
L
H
LEU
V
342
R
-
LYS
A
11
L
H
ARG
V
338
R
-
LYS
A
11
L
H
GLY
V
341
R
-
LYS
A
11
L
H
LEU
V
342
R
-
THR
A
12
L
H
LYS
V
334
R
-
THR
A
12
L
H
GLN
V
337
R
-
THR
A
12
L
H
ARG
V
338
R
-
THR
A
12
L
H
GLU
V
340
R
-
THR
A
12
L
H
GLY
V
341
R
-
THR
A
12
L
H
LEU
V
342
R
-
ARG
A
13
L
H
LYS
V
334
R
-
ARG
A
13
L
H
GLN
V
337
R
-
ARG
A
13
L
H
ARG
V
338
R
-
ARG
A
14
L
H
LYS
V
334
R
-
ARG
A
14
L
H
GLN
V
337
R
-
LYS
A
15
L
H
LEU
V
329
R
-
LYS
A
15
L
H
GLU
V
330
R
-
LYS
A
15
L
H
LEU
V
333
R
-
LYS
A
15
L
H
LYS
V
334
R
-
LYS
A
15
L
H
GLN
V
337
R
-
SER
A
16
L
H
GLU
V
330
R
-
ALA
A
17
L
H
GLU
V
330
R
-
SER
A
18
L
H
GLU
V
330
R
-
ASP
A
19
L
H
ARG
V
325
R
-
ASP
A
19
L
H
ASP
V
326
R
-
GLN
A
20
L
H
ARG
V
325
R
-
TRP
A
21
L
H
VAL
V
318
R
-
TRP
A
21
L
H
ASN
V
322
R
-
ASN
A
22
L
H
VAL
V
318
R
-
ASN
A
22
L
H
ASN
V
322
R
-
THR
A
23
L
-
PRO
V
313
R
-
THR
A
23
L
-
GLU
V
314
R
-
THR
A
23
L
-
GLY
V
315
R
-
THR
A
23
L
H
VAL
V
318
R
-
ASP
A
24
L
-
GLU
V
314
R
-
ASP
A
24
L
-
GLY
V
315
R
-
ASP
A
24
L
H
PRO
V
316
R
-
ASN
A
25
L
-
GLY
V
315
R
-
ASN
A
25
L
H
PRO
V
316
R
-
ASN
A
25
L
-
LEU
V
446
R
-
ASN
A
25
L
-
PRO
V
447
R
-
GLU
A
26
L
-
PRO
V
447
R
-
PRO
A
27
L
-
PRO
V
447
R
-
PRO
A
27
L
-
HIS
V
450
R
-
ALA
A
28
L
-
PRO
V
447
R
-
ALA
A
28
L
-
HIS
V
450
R
-
ALA
A
28
L
-
VAL
V
451
R
-
ALA
A
28
L
-
PRO
V
452
R
-
VAL
A
30
L
-
VAL
V
451
R
-
VAL
A
30
L
-
PRO
V
452
R
-
VAL
A
30
L
H
ALA
V
455
R
-
GLU
A
5
L
H
GLN
V
415
R
-
PRO
A
533
L
H
ALA
V
432
R
-
GLY
A
534
L
H
ALA
V
432
R
-
GLY
A
534
L
H
LEU
V
436
R
S
LYS
A
536
L
H
LEU
V
436
R
-
GLU
A
7
L
H
GLN
V
419
R
-
ASP
A
8
L
H
TRP
V
416
R
-
ASP
A
8
L
H
GLN
V
419
R
-
ASP
A
8
L
H
THR
V
423
R
-
LEU
A
9
L
H
LEU
V
342
R
-
LEU
A
9
L
H
PRO
V
346
R
-
LEU
A
9
L
H
TRP
V
416
R
-
LEU
A
9
L
H
THR
V
423
A1IGU5_Q8N5V2.1
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
-
CD
GLU
A
5
L
H
CD
GLN
V
415
R
-
CD
GLU
A
5
L
H
NE2
GLN
V
415
R
-
CD
GLU
A
5
L
H
OE1
GLN
V
415
R
-
CD
GLU
A
5
L
H
HE22
GLN
V
415
R
-
OE1
GLU
A
5
L
H
OE1
GLN
V
415
R
-
OE1
GLU
A
5
L
H
HE22
GLN
V
415
R
-
OE2
GLU
A
5
L
H
CG
GLN
V
415
R
-
OE2
GLU
A
5
L
H
CD
GLN
V
415
R
-
OE2
GLU
A
5
L
H
NE2
GLN
V
415
R
-
OE2
GLU
A
5
L
H
OE1
GLN
V
415
R
-
OE2
GLU
A
5
L
H
HG2
GLN
V
415
R
-
OE2
GLU
A
5
L
H
HE21
GLN
V
415
R
-
OE2
GLU
A
5
L
H
HE22
GLN
V
415
R
-
CA
GLU
A
7
L
H
NE2
GLN
V
419
R
-
CA
GLU
A
7
L
H
HE21
GLN
V
419
R
-
CA
GLU
A
7
L
H
HE22
GLN
V
419
R
-
C
GLU
A
7
L
H
NE2
GLN
V
419
R
-
C
GLU
A
7
L
H
HG2
GLN
V
419
R
-
C
GLU
A
7
L
H
HE21
GLN
V
419
R
-
N
ASP
A
8
L
H
CG
GLN
V
419
R
-
N
ASP
A
8
L
H
CD
GLN
V
419
R
-
N
ASP
A
8
L
H
NE2
GLN
V
419
R
-
N
ASP
A
8
L
H
HG2
GLN
V
419
R
-
N
ASP
A
8
L
H
HG3
GLN
V
419
R
-
N
ASP
A
8
L
H
HE21
GLN
V
419
R
-
N
ASP
A
8
L
H
HE22
GLN
V
419
R
-
CA
ASP
A
8
L
H
HG2
GLN
V
419
R
-
CA
ASP
A
8
L
H
HE21
GLN
V
419
R
-
C
ASP
A
8
L
H
HG2
GLN
V
419
R
-
C
ASP
A
8
L
H
HG3
GLN
V
419
R
-
C
ASP
A
8
L
H
HE21
GLN
V
419
R
-
CB
ASP
A
8
L
H
HG2
GLN
V
419
R
-
O
ASP
A
8
L
H
CG
GLN
V
419
R
-
O
ASP
A
8
L
H
CD
GLN
V
419
R
-
O
ASP
A
8
L
H
NE2
GLN
V
419
R
-
O
ASP
A
8
L
H
HG2
GLN
V
419
R
-
O
ASP
A
8
L
H
HG3
GLN
V
419
R
-
O
ASP
A
8
L
H
HE21
GLN
V
419
R
-
O
ASP
A
8
L
H
OG1
THR
V
423
R
-
O
ASP
A
8
L
H
HG1
THR
V
423
R
-
OD2
ASP
A
8
L
H
CE2
TRP
V
416
R
-
OD2
ASP
A
8
L
H
CH2
TRP
V
416
R
-
OD2
ASP
A
8
L
H
CZ2
TRP
V
416
R
-
OD2
ASP
A
8
L
H
HH2
TRP
V
416
R
-
OD2
ASP
A
8
L
H
HZ2
TRP
V
416
R
-
CA
LEU
A
9
L
H
HD23
LEU
V
342
R
-
C
LEU
A
9
L
H
CD2
LEU
V
342
R
-
C
LEU
A
9
L
H
HB3
LEU
V
342
R
-
C
LEU
A
9
L
H
HD13
LEU
V
342
R
-
C
LEU
A
9
L
H
HD21
LEU
V
342
R
-
C
LEU
A
9
L
H
HD22
LEU
V
342
R
-
C
LEU
A
9
L
H
HD23
LEU
V
342
R
-
CB
LEU
A
9
L
H
O
LEU
V
342
R
-
CB
LEU
A
9
L
H
HA
LEU
V
342
R
-
CB
LEU
A
9
L
H
HB3
LEU
V
342
R
-
CB
LEU
A
9
L
H
HD21
LEU
V
342
R
-
CB
LEU
A
9
L
H
HD23
LEU
V
342
R
-
CB
LEU
A
9
L
H
HG2
PRO
V
346
R
-
O
LEU
A
9
L
H
CB
LEU
V
342
R
-
O
LEU
A
9
L
H
CG
LEU
V
342
R
-
O
LEU
A
9
L
H
CD1
LEU
V
342
R
-
O
LEU
A
9
L
H
CD2
LEU
V
342
R
-
O
LEU
A
9
L
H
HA
LEU
V
342
R
-
O
LEU
A
9
L
H
HB3
LEU
V
342
R
-
O
LEU
A
9
L
H
HD13
LEU
V
342
R
-
O
LEU
A
9
L
H
HD21
LEU
V
342
R
-
O
LEU
A
9
L
H
HD22
LEU
V
342
R
-
O
LEU
A
9
L
H
HD23
LEU
V
342
R
-
O
LEU
A
9
L
H
HG21
THR
V
423
R
-
O
LEU
A
9
L
H
HG23
THR
V
423
R
-
CG
LEU
A
9
L
H
CG
PRO
V
346
R
-
CG
LEU
A
9
L
H
HB2
PRO
V
346
R
-
CG
LEU
A
9
L
H
HG2
PRO
V
346
R
-
CG
LEU
A
9
L
H
HG3
PRO
V
346
R
-
CD1
LEU
A
9
L
H
CB
PRO
V
346
R
-
CD1
LEU
A
9
L
H
CG
PRO
V
346
R
-
CD1
LEU
A
9
L
H
HB2
PRO
V
346
R
-
CD1
LEU
A
9
L
H
HB3
PRO
V
346
R
-
CD1
LEU
A
9
L
H
HG2
PRO
V
346
R
-
CD1
LEU
A
9
L
H
HG3
PRO
V
346
R
-
CD1
LEU
A
9
L
H
HZ3
TRP
V
416
R
-
CD2
LEU
A
9
L
H
HA
LEU
V
342
R
-
CD2
LEU
A
9
L
H
CG
PRO
V
346
R
-
CD2
LEU
A
9
L
H
HB2
PRO
V
346
R
-
CD2
LEU
A
9
L
H
HG2
PRO
V
346
R
-
CD2
LEU
A
9
L
H
HG3
PRO
V
346
R
-
N
GLU
A
10
L
H
CD2
LEU
V
342
R
-
N
GLU
A
10
L
H
HD21
LEU
V
342
R
-
N
GLU
A
10
L
H
HD22
LEU
V
342
R
-
N
GLU
A
10
L
H
HD23
LEU
V
342
R
-
CA
GLU
A
10
L
H
CD2
LEU
V
342
R
-
CA
GLU
A
10
L
H
HD12
LEU
V
342
R
-
CA
GLU
A
10
L
H
HD13
LEU
V
342
R
-
CA
GLU
A
10
L
H
HD21
LEU
V
342
R
-
CA
GLU
A
10
L
H
HD22
LEU
V
342
R
-
CA
GLU
A
10
L
H
HD23
LEU
V
342
R
-
C
GLU
A
10
L
H
CG
LEU
V
342
R
-
C
GLU
A
10
L
H
CD2
LEU
V
342
R
-
C
GLU
A
10
L
H
HD12
LEU
V
342
R
-
C
GLU
A
10
L
H
HD21
LEU
V
342
R
-
C
GLU
A
10
L
H
HD22
LEU
V
342
R
-
C
GLU
A
10
L
H
HD23
LEU
V
342
R
-
CB
GLU
A
10
L
H
HD22
LEU
V
342
R
-
O
GLU
A
10
L
H
CD2
LEU
V
342
R
-
O
GLU
A
10
L
H
HD21
LEU
V
342
R
-
O
GLU
A
10
L
H
HD22
LEU
V
342
R
-
O
GLU
A
10
L
H
HD23
LEU
V
342
R
-
N
LYS
A
11
L
H
CG
LEU
V
342
R
-
N
LYS
A
11
L
H
CD1
LEU
V
342
R
-
N
LYS
A
11
L
H
CD2
LEU
V
342
R
-
N
LYS
A
11
L
H
HG
LEU
V
342
R
-
N
LYS
A
11
L
H
HD12
LEU
V
342
R
-
N
LYS
A
11
L
H
HD13
LEU
V
342
R
-
N
LYS
A
11
L
H
HD21
LEU
V
342
R
-
N
LYS
A
11
L
H
HD22
LEU
V
342
R
-
N
LYS
A
11
L
H
HD23
LEU
V
342
R
-
CA
LYS
A
11
L
H
CG
LEU
V
342
R
-
CA
LYS
A
11
L
H
CD2
LEU
V
342
R
-
CA
LYS
A
11
L
H
HG
LEU
V
342
R
-
CA
LYS
A
11
L
H
HD12
LEU
V
342
R
-
CA
LYS
A
11
L
H
HD21
LEU
V
342
R
-
CA
LYS
A
11
L
H
HD22
LEU
V
342
R
-
CA
LYS
A
11
L
H
HD23
LEU
V
342
R
-
C
LYS
A
11
L
H
HA
ARG
V
338
R
-
C
LYS
A
11
L
H
HA3
GLY
V
341
R
-
C
LYS
A
11
L
H
CG
LEU
V
342
R
-
C
LYS
A
11
L
H
CD2
LEU
V
342
R
-
C
LYS
A
11
L
H
HG
LEU
V
342
R
-
C
LYS
A
11
L
H
HD12
LEU
V
342
R
-
C
LYS
A
11
L
H
HD21
LEU
V
342
R
-
C
LYS
A
11
L
H
HD22
LEU
V
342
R
-
CB
LYS
A
11
L
H
HD21
LEU
V
342
R
-
CB
LYS
A
11
L
H
HD22
LEU
V
342
R
-
O
LYS
A
11
L
H
HA
ARG
V
338
R
-
O
LYS
A
11
L
H
N
GLY
V
341
R
-
O
LYS
A
11
L
H
CA
GLY
V
341
R
-
O
LYS
A
11
L
H
C
GLY
V
341
R
-
O
LYS
A
11
L
H
O
GLY
V
341
R
-
O
LYS
A
11
L
H
HA2
GLY
V
341
R
-
O
LYS
A
11
L
H
HA3
GLY
V
341
R
-
O
LYS
A
11
L
H
N
LEU
V
342
R
-
O
LYS
A
11
L
H
CG
LEU
V
342
R
-
O
LYS
A
11
L
H
CD2
LEU
V
342
R
-
O
LYS
A
11
L
H
H
LEU
V
342
R
-
O
LYS
A
11
L
H
HG
LEU
V
342
R
-
O
LYS
A
11
L
H
HD21
LEU
V
342
R
-
O
LYS
A
11
L
H
HD22
LEU
V
342
R
-
N
THR
A
12
L
H
HA
ARG
V
338
R
-
N
THR
A
12
L
H
HG2
ARG
V
338
R
-
N
THR
A
12
L
H
HA3
GLY
V
341
R
-
N
THR
A
12
L
H
CG
LEU
V
342
R
-
N
THR
A
12
L
H
HG
LEU
V
342
R
-
N
THR
A
12
L
H
HD12
LEU
V
342
R
-
N
THR
A
12
L
H
HD22
LEU
V
342
R
-
CA
THR
A
12
L
H
C
GLN
V
337
R
-
CA
THR
A
12
L
H
O
GLN
V
337
R
-
CA
THR
A
12
L
H
HB3
GLN
V
337
R
-
CA
THR
A
12
L
H
CA
ARG
V
338
R
-
CA
THR
A
12
L
H
HA
ARG
V
338
R
-
CA
THR
A
12
L
H
HG2
ARG
V
338
R
-
CA
THR
A
12
L
H
HA3
GLY
V
341
R
-
C
THR
A
12
L
H
C
GLN
V
337
R
-
C
THR
A
12
L
H
CB
GLN
V
337
R
-
C
THR
A
12
L
H
O
GLN
V
337
R
-
C
THR
A
12
L
H
HB2
GLN
V
337
R
-
C
THR
A
12
L
H
HB3
GLN
V
337
R
-
C
THR
A
12
L
H
N
ARG
V
338
R
-
C
THR
A
12
L
H
CA
ARG
V
338
R
-
C
THR
A
12
L
H
CB
ARG
V
338
R
-
C
THR
A
12
L
H
CG
ARG
V
338
R
-
C
THR
A
12
L
H
H
ARG
V
338
R
-
C
THR
A
12
L
H
HA
ARG
V
338
R
-
C
THR
A
12
L
H
HG2
ARG
V
338
R
-
C
THR
A
12
L
H
HG3
ARG
V
338
R
-
CB
THR
A
12
L
H
C
GLN
V
337
R
-
CB
THR
A
12
L
H
O
GLN
V
337
R
-
CB
THR
A
12
L
H
HB3
GLN
V
337
R
-
CB
THR
A
12
L
H
N
ARG
V
338
R
-
CB
THR
A
12
L
H
CA
ARG
V
338
R
-
CB
THR
A
12
L
H
HA
ARG
V
338
R
-
CB
THR
A
12
L
H
N
GLY
V
341
R
-
CB
THR
A
12
L
H
CA
GLY
V
341
R
-
CB
THR
A
12
L
H
H
GLY
V
341
R
-
CB
THR
A
12
L
H
HA3
GLY
V
341
R
-
O
THR
A
12
L
H
O
LYS
V
334
R
-
O
THR
A
12
L
H
C
GLN
V
337
R
-
O
THR
A
12
L
H
O
GLN
V
337
R
-
O
THR
A
12
L
H
HB2
GLN
V
337
R
-
O
THR
A
12
L
H
HB3
GLN
V
337
R
-
O
THR
A
12
L
H
N
ARG
V
338
R
-
O
THR
A
12
L
H
CA
ARG
V
338
R
-
O
THR
A
12
L
H
C
ARG
V
338
R
-
O
THR
A
12
L
H
CB
ARG
V
338
R
-
O
THR
A
12
L
H
CG
ARG
V
338
R
-
O
THR
A
12
L
H
CD
ARG
V
338
R
-
O
THR
A
12
L
H
H
ARG
V
338
R
-
O
THR
A
12
L
H
HA
ARG
V
338
R
-
O
THR
A
12
L
H
HB2
ARG
V
338
R
-
O
THR
A
12
L
H
HB3
ARG
V
338
R
-
O
THR
A
12
L
H
HG2
ARG
V
338
R
-
O
THR
A
12
L
H
HG3
ARG
V
338
R
-
O
THR
A
12
L
H
HD2
ARG
V
338
R
-
CG2
THR
A
12
L
H
O
GLN
V
337
R
-
CG2
THR
A
12
L
H
HB3
GLN
V
337
R
-
CG2
THR
A
12
L
H
CA
GLY
V
341
R
-
CG2
THR
A
12
L
H
H
GLY
V
341
R
-
CG2
THR
A
12
L
H
HA2
GLY
V
341
R
-
CG2
THR
A
12
L
H
HA3
GLY
V
341
R
-
OG1
THR
A
12
L
H
C
GLN
V
337
R
-
OG1
THR
A
12
L
H
O
GLN
V
337
R
-
OG1
THR
A
12
L
H
N
ARG
V
338
R
-
OG1
THR
A
12
L
H
CA
ARG
V
338
R
-
OG1
THR
A
12
L
H
C
ARG
V
338
R
-
OG1
THR
A
12
L
H
O
ARG
V
338
R
-
OG1
THR
A
12
L
H
HA
ARG
V
338
R
-
OG1
THR
A
12
L
H
C
GLU
V
340
R
-
OG1
THR
A
12
L
H
HB2
GLU
V
340
R
-
OG1
THR
A
12
L
H
N
GLY
V
341
R
-
OG1
THR
A
12
L
H
CA
GLY
V
341
R
-
OG1
THR
A
12
L
H
C
GLY
V
341
R
-
OG1
THR
A
12
L
H
H
GLY
V
341
R
-
OG1
THR
A
12
L
H
HA2
GLY
V
341
R
-
OG1
THR
A
12
L
H
HA3
GLY
V
341
R
-
OG1
THR
A
12
L
H
N
LEU
V
342
R
-
OG1
THR
A
12
L
H
H
LEU
V
342
R
-
OG1
THR
A
12
L
H
HG
LEU
V
342
R
-
N
ARG
A
13
L
H
C
GLN
V
337
R
-
N
ARG
A
13
L
H
CB
GLN
V
337
R
-
N
ARG
A
13
L
H
OE1
GLN
V
337
R
-
N
ARG
A
13
L
H
HB2
GLN
V
337
R
-
N
ARG
A
13
L
H
HB3
GLN
V
337
R
-
N
ARG
A
13
L
H
N
ARG
V
338
R
-
N
ARG
A
13
L
H
CG
ARG
V
338
R
-
N
ARG
A
13
L
H
H
ARG
V
338
R
-
N
ARG
A
13
L
H
HA
ARG
V
338
R
-
N
ARG
A
13
L
H
HG2
ARG
V
338
R
-
N
ARG
A
13
L
H
HG3
ARG
V
338
R
-
CA
ARG
A
13
L
H
OE1
GLN
V
337
R
-
CA
ARG
A
13
L
H
HB2
GLN
V
337
R
-
CA
ARG
A
13
L
H
HB3
GLN
V
337
R
-
C
ARG
A
13
L
H
HG3
LYS
V
334
R
-
C
ARG
A
13
L
H
CD
GLN
V
337
R
-
C
ARG
A
13
L
H
OE1
GLN
V
337
R
-
C
ARG
A
13
L
H
HB2
GLN
V
337
R
-
C
ARG
A
13
L
H
HB3
GLN
V
337
R
-
CB
ARG
A
13
L
H
CB
GLN
V
337
R
-
CB
ARG
A
13
L
H
CD
GLN
V
337
R
-
CB
ARG
A
13
L
H
OE1
GLN
V
337
R
-
CB
ARG
A
13
L
H
HB3
GLN
V
337
R
-
O
ARG
A
13
L
H
CG
LYS
V
334
R
-
O
ARG
A
13
L
H
HA
LYS
V
334
R
-
O
ARG
A
13
L
H
HG3
LYS
V
334
R
-
O
ARG
A
13
L
H
CB
GLN
V
337
R
-
O
ARG
A
13
L
H
CG
GLN
V
337
R
-
O
ARG
A
13
L
H
CD
GLN
V
337
R
-
O
ARG
A
13
L
H
OE1
GLN
V
337
R
-
O
ARG
A
13
L
H
HB2
GLN
V
337
R
-
O
ARG
A
13
L
H
HB3
GLN
V
337
R
-
CG
ARG
A
13
L
H
OE1
GLN
V
337
R
-
N
ARG
A
14
L
H
HG3
LYS
V
334
R
-
N
ARG
A
14
L
H
HE3
LYS
V
334
R
-
N
ARG
A
14
L
H
OE1
GLN
V
337
R
-
CA
ARG
A
14
L
H
HG3
LYS
V
334
R
-
CA
ARG
A
14
L
H
HE3
LYS
V
334
R
-
C
ARG
A
14
L
H
OE1
GLN
V
337
R
-
O
ARG
A
14
L
H
OE1
GLN
V
337
R
-
O
ARG
A
14
L
H
HE22
GLN
V
337
R
-
CG
ARG
A
14
L
H
HE3
LYS
V
334
R
-
CG
ARG
A
14
L
H
HZ2
LYS
V
334
R
-
C
LYS
A
15
L
H
HD21
LEU
V
333
R
-
CB
LYS
A
15
L
H
HE22
GLN
V
337
R
-
O
LYS
A
15
L
H
O
LEU
V
329
R
-
O
LYS
A
15
L
H
HA
GLU
V
330
R
-
O
LYS
A
15
L
H
CD2
LEU
V
333
R
-
O
LYS
A
15
L
H
HB2
LEU
V
333
R
-
O
LYS
A
15
L
H
HG
LEU
V
333
R
-
O
LYS
A
15
L
H
HD21
LEU
V
333
R
-
O
LYS
A
15
L
H
HB3
LYS
V
334
R
-
N
SER
A
16
L
H
HA
GLU
V
330
R
-
N
SER
A
16
L
H
HG2
GLU
V
330
R
-
CA
SER
A
16
L
H
HG2
GLU
V
330
R
-
C
SER
A
16
L
H
CG
GLU
V
330
R
-
C
SER
A
16
L
H
OE1
GLU
V
330
R
-
C
SER
A
16
L
H
HG2
GLU
V
330
R
-
O
SER
A
16
L
H
CB
GLU
V
330
R
-
O
SER
A
16
L
H
CG
GLU
V
330
R
-
O
SER
A
16
L
H
CD
GLU
V
330
R
-
O
SER
A
16
L
H
OE1
GLU
V
330
R
-
O
SER
A
16
L
H
HA
GLU
V
330
R
-
O
SER
A
16
L
H
HB3
GLU
V
330
R
-
O
SER
A
16
L
H
HG2
GLU
V
330
R
-
O
SER
A
16
L
H
HG3
GLU
V
330
R
-
N
ALA
A
17
L
H
OE1
GLU
V
330
R
-
N
ALA
A
17
L
H
HG2
GLU
V
330
R
-
CA
ALA
A
17
L
H
OE1
GLU
V
330
R
-
CA
ALA
A
17
L
H
HG2
GLU
V
330
R
-
C
ALA
A
17
L
H
OE1
GLU
V
330
R
-
N
SER
A
18
L
H
OE1
GLU
V
330
R
-
N
ASP
A
19
L
H
HE
ARG
V
325
R
-
N
ASP
A
19
L
H
HH21
ARG
V
325
R
-
CA
ASP
A
19
L
H
NH2
ARG
V
325
R
-
CA
ASP
A
19
L
H
CZ
ARG
V
325
R
-
CA
ASP
A
19
L
H
HH21
ARG
V
325
R
-
CA
ASP
A
19
L
H
HH22
ARG
V
325
R
-
C
ASP
A
19
L
H
NH1
ARG
V
325
R
-
C
ASP
A
19
L
H
NH2
ARG
V
325
R
-
C
ASP
A
19
L
H
CZ
ARG
V
325
R
-
C
ASP
A
19
L
H
HH12
ARG
V
325
R
-
C
ASP
A
19
L
H
HH21
ARG
V
325
R
-
C
ASP
A
19
L
H
HH22
ARG
V
325
R
-
CB
ASP
A
19
L
H
NE
ARG
V
325
R
-
CB
ASP
A
19
L
H
NH1
ARG
V
325
R
-
CB
ASP
A
19
L
H
NH2
ARG
V
325
R
-
CB
ASP
A
19
L
H
CZ
ARG
V
325
R
-
CB
ASP
A
19
L
H
HD2
ARG
V
325
R
-
CB
ASP
A
19
L
H
HE
ARG
V
325
R
-
CB
ASP
A
19
L
H
HH11
ARG
V
325
R
-
CB
ASP
A
19
L
H
HH12
ARG
V
325
R
-
CB
ASP
A
19
L
H
HH21
ARG
V
325
R
-
CB
ASP
A
19
L
H
HH22
ARG
V
325
R
-
O
ASP
A
19
L
H
NE
ARG
V
325
R
-
O
ASP
A
19
L
H
NH2
ARG
V
325
R
-
O
ASP
A
19
L
H
CZ
ARG
V
325
R
-
O
ASP
A
19
L
H
HE
ARG
V
325
R
-
O
ASP
A
19
L
H
HH21
ARG
V
325
R
-
O
ASP
A
19
L
H
HH22
ARG
V
325
R
-
O
ASP
A
19
L
H
OD1
ASP
V
326
R
-
OD2
ASP
A
19
L
H
HD2
ARG
V
325
R
-
N
GLN
A
20
L
H
NH2
ARG
V
325
R
-
N
GLN
A
20
L
H
HH12
ARG
V
325
R
-
N
GLN
A
20
L
H
HH21
ARG
V
325
R
-
N
GLN
A
20
L
H
HH22
ARG
V
325
R
-
CA
GLN
A
20
L
H
HH22
ARG
V
325
R
-
C
GLN
A
20
L
H
HH22
ARG
V
325
R
-
O
GLN
A
20
L
H
HH12
ARG
V
325
R
-
O
GLN
A
20
L
H
HH22
ARG
V
325
R
-
C
TRP
A
21
L
H
HD22
ASN
V
322
R
-
O
TRP
A
21
L
H
CG1
VAL
V
318
R
-
O
TRP
A
21
L
H
HG11
VAL
V
318
R
-
O
TRP
A
21
L
H
HG13
VAL
V
318
R
-
O
TRP
A
21
L
H
ND2
ASN
V
322
R
-
O
TRP
A
21
L
H
HD22
ASN
V
322
R
-
N
ASN
A
22
L
H
HD22
ASN
V
322
R
-
C
ASN
A
22
L
H
CG1
VAL
V
318
R
-
C
ASN
A
22
L
H
HG11
VAL
V
318
R
-
C
ASN
A
22
L
H
HG13
VAL
V
318
R
-
O
ASN
A
22
L
H
CG1
VAL
V
318
R
-
O
ASN
A
22
L
H
HG11
VAL
V
318
R
-
O
ASN
A
22
L
H
HG12
VAL
V
318
R
-
O
ASN
A
22
L
H
HG13
VAL
V
318
R
-
O
ASN
A
22
L
H
HG22
VAL
V
318
R
-
N
THR
A
23
L
-
HA
GLU
V
314
R
-
N
THR
A
23
L
-
HG2
GLU
V
314
R
-
N
THR
A
23
L
-
H
GLY
V
315
R
-
N
THR
A
23
L
H
HB
VAL
V
318
R
-
N
THR
A
23
L
H
HG13
VAL
V
318
R
-
CA
THR
A
23
L
-
HB3
GLU
V
314
R
-
CA
THR
A
23
L
-
HG2
GLU
V
314
R
-
CA
THR
A
23
L
-
H
GLY
V
315
R
-
C
THR
A
23
L
-
HB3
GLU
V
314
R
-
C
THR
A
23
L
-
N
GLY
V
315
R
-
C
THR
A
23
L
-
H
GLY
V
315
R
-
C
THR
A
23
L
-
HA2
GLY
V
315
R
-
CB
THR
A
23
L
-
CB
GLU
V
314
R
-
CB
THR
A
23
L
-
CG
GLU
V
314
R
-
CB
THR
A
23
L
-
CD
GLU
V
314
R
-
CB
THR
A
23
L
-
OE1
GLU
V
314
R
-
CB
THR
A
23
L
-
OE2
GLU
V
314
R
-
CB
THR
A
23
L
-
HA
GLU
V
314
R
-
CB
THR
A
23
L
-
HB3
GLU
V
314
R
-
CB
THR
A
23
L
-
HG2
GLU
V
314
R
-
CB
THR
A
23
L
-
H
GLY
V
315
R
-
O
THR
A
23
L
-
CA
GLU
V
314
R
-
O
THR
A
23
L
-
C
GLU
V
314
R
-
O
THR
A
23
L
-
CB
GLU
V
314
R
-
O
THR
A
23
L
-
HA
GLU
V
314
R
-
O
THR
A
23
L
-
HB3
GLU
V
314
R
-
O
THR
A
23
L
-
N
GLY
V
315
R
-
O
THR
A
23
L
-
CA
GLY
V
315
R
-
O
THR
A
23
L
-
C
GLY
V
315
R
-
O
THR
A
23
L
-
O
GLY
V
315
R
-
O
THR
A
23
L
-
H
GLY
V
315
R
-
O
THR
A
23
L
-
HA2
GLY
V
315
R
-
O
THR
A
23
L
H
HB
VAL
V
318
R
-
CG2
THR
A
23
L
-
CG
GLU
V
314
R
-
CG2
THR
A
23
L
-
CD
GLU
V
314
R
-
CG2
THR
A
23
L
-
OE1
GLU
V
314
R
-
CG2
THR
A
23
L
-
OE2
GLU
V
314
R
-
CG2
THR
A
23
L
-
HB3
GLU
V
314
R
-
CG2
THR
A
23
L
-
HG2
GLU
V
314
R
-
OG1
THR
A
23
L
-
O
PRO
V
313
R
-
OG1
THR
A
23
L
-
CB
GLU
V
314
R
-
OG1
THR
A
23
L
-
CG
GLU
V
314
R
-
OG1
THR
A
23
L
-
CD
GLU
V
314
R
-
OG1
THR
A
23
L
-
OE1
GLU
V
314
R
-
OG1
THR
A
23
L
-
HA
GLU
V
314
R
-
OG1
THR
A
23
L
-
HB3
GLU
V
314
R
-
OG1
THR
A
23
L
-
HG2
GLU
V
314
R
-
OG1
THR
A
23
L
-
HG3
GLU
V
314
R
-
N
ASP
A
24
L
-
H
GLY
V
315
R
-
CA
ASP
A
24
L
-
HA2
GLY
V
315
R
-
C
ASP
A
24
L
-
CA
GLY
V
315
R
-
C
ASP
A
24
L
-
H
GLY
V
315
R
-
C
ASP
A
24
L
-
HA2
GLY
V
315
R
-
O
ASP
A
24
L
-
HB3
GLU
V
314
R
-
O
ASP
A
24
L
-
N
GLY
V
315
R
-
O
ASP
A
24
L
-
CA
GLY
V
315
R
-
O
ASP
A
24
L
-
H
GLY
V
315
R
-
O
ASP
A
24
L
-
HA2
GLY
V
315
R
-
O
ASP
A
24
L
-
HA3
GLY
V
315
R
-
O
ASP
A
24
L
H
HD2
PRO
V
316
R
-
OD2
ASP
A
24
L
-
OE2
GLU
V
314
R
-
N
ASN
A
25
L
-
HA2
GLY
V
315
R
-
N
ASN
A
25
L
-
HB3
PRO
V
447
R
-
N
ASN
A
25
L
-
HG3
PRO
V
447
R
-
N
ASN
A
25
L
-
HD2
PRO
V
447
R
-
CA
ASN
A
25
L
-
CB
PRO
V
447
R
-
CA
ASN
A
25
L
-
CG
PRO
V
447
R
-
CA
ASN
A
25
L
-
HB3
PRO
V
447
R
-
CA
ASN
A
25
L
-
HG3
PRO
V
447
R
-
CA
ASN
A
25
L
-
HD2
PRO
V
447
R
-
C
ASN
A
25
L
-
N
PRO
V
447
R
-
C
ASN
A
25
L
-
CA
PRO
V
447
R
-
C
ASN
A
25
L
-
CB
PRO
V
447
R
-
C
ASN
A
25
L
-
CG
PRO
V
447
R
-
C
ASN
A
25
L
-
CD
PRO
V
447
R
-
C
ASN
A
25
L
-
HA
PRO
V
447
R
-
C
ASN
A
25
L
-
HB2
PRO
V
447
R
-
C
ASN
A
25
L
-
HB3
PRO
V
447
R
-
C
ASN
A
25
L
-
HG2
PRO
V
447
R
-
C
ASN
A
25
L
-
HG3
PRO
V
447
R
-
C
ASN
A
25
L
-
HD2
PRO
V
447
R
-
CB
ASN
A
25
L
-
HA2
GLY
V
315
R
-
CB
ASN
A
25
L
H
HD2
PRO
V
316
R
-
CB
ASN
A
25
L
-
CB
PRO
V
447
R
-
CB
ASN
A
25
L
-
CG
PRO
V
447
R
-
CB
ASN
A
25
L
-
HB3
PRO
V
447
R
-
CB
ASN
A
25
L
-
HG3
PRO
V
447
R
-
O
ASN
A
25
L
-
C
LEU
V
446
R
-
O
ASN
A
25
L
-
N
PRO
V
447
R
-
O
ASN
A
25
L
-
CA
PRO
V
447
R
-
O
ASN
A
25
L
-
CB
PRO
V
447
R
-
O
ASN
A
25
L
-
CG
PRO
V
447
R
-
O
ASN
A
25
L
-
CD
PRO
V
447
R
-
O
ASN
A
25
L
-
HA
PRO
V
447
R
-
O
ASN
A
25
L
-
HB2
PRO
V
447
R
-
O
ASN
A
25
L
-
HB3
PRO
V
447
R
-
O
ASN
A
25
L
-
HG2
PRO
V
447
R
-
O
ASN
A
25
L
-
HG3
PRO
V
447
R
-
O
ASN
A
25
L
-
HD2
PRO
V
447
R
-
O
ASN
A
25
L
-
HD3
PRO
V
447
R
-
CG
ASN
A
25
L
-
HG3
PRO
V
447
R
-
ND2
ASN
A
25
L
-
HA2
GLY
V
315
R
-
ND2
ASN
A
25
L
H
HD2
PRO
V
316
R
-
N
GLU
A
26
L
-
CA
PRO
V
447
R
-
N
GLU
A
26
L
-
CB
PRO
V
447
R
-
N
GLU
A
26
L
-
CG
PRO
V
447
R
-
N
GLU
A
26
L
-
HA
PRO
V
447
R
-
N
GLU
A
26
L
-
HB2
PRO
V
447
R
-
N
GLU
A
26
L
-
HB3
PRO
V
447
R
-
N
GLU
A
26
L
-
HG3
PRO
V
447
R
-
CA
GLU
A
26
L
-
CB
PRO
V
447
R
-
CA
GLU
A
26
L
-
HA
PRO
V
447
R
-
CA
GLU
A
26
L
-
HB2
PRO
V
447
R
-
CA
GLU
A
26
L
-
HB3
PRO
V
447
R
-
C
GLU
A
26
L
-
CA
PRO
V
447
R
-
C
GLU
A
26
L
-
C
PRO
V
447
R
-
C
GLU
A
26
L
-
CB
PRO
V
447
R
-
C
GLU
A
26
L
-
O
PRO
V
447
R
-
C
GLU
A
26
L
-
HA
PRO
V
447
R
-
C
GLU
A
26
L
-
HB2
PRO
V
447
R
-
C
GLU
A
26
L
-
HB3
PRO
V
447
R
-
CB
GLU
A
26
L
-
HB3
PRO
V
447
R
-
O
GLU
A
26
L
-
CA
PRO
V
447
R
-
O
GLU
A
26
L
-
C
PRO
V
447
R
-
O
GLU
A
26
L
-
CB
PRO
V
447
R
-
O
GLU
A
26
L
-
O
PRO
V
447
R
-
O
GLU
A
26
L
-
CG
PRO
V
447
R
-
O
GLU
A
26
L
-
HA
PRO
V
447
R
-
O
GLU
A
26
L
-
HB2
PRO
V
447
R
-
O
GLU
A
26
L
-
HB3
PRO
V
447
R
-
O
GLU
A
26
L
-
HG2
PRO
V
447
R
-
N
PRO
A
27
L
-
CA
PRO
V
447
R
-
N
PRO
A
27
L
-
O
PRO
V
447
R
-
N
PRO
A
27
L
-
HA
PRO
V
447
R
-
N
PRO
A
27
L
-
HB2
PRO
V
447
R
-
N
PRO
A
27
L
-
HB3
PRO
V
447
R
-
CA
PRO
A
27
L
-
C
PRO
V
447
R
-
CA
PRO
A
27
L
-
O
PRO
V
447
R
-
CA
PRO
A
27
L
-
HA
PRO
V
447
R
-
CA
PRO
A
27
L
-
HB2
HIS
V
450
R
-
CA
PRO
A
27
L
-
HD2
HIS
V
450
R
-
C
PRO
A
27
L
-
O
PRO
V
447
R
-
C
PRO
A
27
L
-
HB2
HIS
V
450
R
-
CB
PRO
A
27
L
-
O
PRO
V
447
R
-
CB
PRO
A
27
L
-
HA
PRO
V
447
R
-
CB
PRO
A
27
L
-
CD2
HIS
V
450
R
-
CB
PRO
A
27
L
-
HB2
HIS
V
450
R
-
CB
PRO
A
27
L
-
HD2
HIS
V
450
R
-
CG
PRO
A
27
L
-
HD2
HIS
V
450
R
-
N
ALA
A
28
L
-
O
PRO
V
447
R
-
N
ALA
A
28
L
-
HB2
HIS
V
450
R
-
N
ALA
A
28
L
-
CG2
VAL
V
451
R
-
N
ALA
A
28
L
-
HG21
VAL
V
451
R
-
N
ALA
A
28
L
-
HG23
VAL
V
451
R
-
CA
ALA
A
28
L
-
CG2
VAL
V
451
R
-
CA
ALA
A
28
L
-
HG21
VAL
V
451
R
-
CA
ALA
A
28
L
-
HG23
VAL
V
451
R
-
C
ALA
A
28
L
-
HB2
HIS
V
450
R
-
C
ALA
A
28
L
-
CG2
VAL
V
451
R
-
C
ALA
A
28
L
-
HA
VAL
V
451
R
-
C
ALA
A
28
L
-
HG21
VAL
V
451
R
-
C
ALA
A
28
L
-
HG23
VAL
V
451
R
-
CB
ALA
A
28
L
-
CG2
VAL
V
451
R
-
CB
ALA
A
28
L
-
HG21
VAL
V
451
R
-
CB
ALA
A
28
L
-
HG22
VAL
V
451
R
-
CB
ALA
A
28
L
-
HG23
VAL
V
451
R
-
O
ALA
A
28
L
-
C
HIS
V
450
R
-
O
ALA
A
28
L
-
O
HIS
V
450
R
-
O
ALA
A
28
L
-
HB2
HIS
V
450
R
-
O
ALA
A
28
L
-
HB3
HIS
V
450
R
-
O
ALA
A
28
L
-
N
VAL
V
451
R
-
O
ALA
A
28
L
-
CA
VAL
V
451
R
-
O
ALA
A
28
L
-
CB
VAL
V
451
R
-
O
ALA
A
28
L
-
CG2
VAL
V
451
R
-
O
ALA
A
28
L
-
HA
VAL
V
451
R
-
O
ALA
A
28
L
-
HG13
VAL
V
451
R
-
O
ALA
A
28
L
-
HG21
VAL
V
451
R
-
O
ALA
A
28
L
-
HG22
VAL
V
451
R
-
O
ALA
A
28
L
-
HG23
VAL
V
451
R
-
O
ALA
A
28
L
-
HD3
PRO
V
452
R
-
N
VAL
A
30
L
-
CD
PRO
V
452
R
-
N
VAL
A
30
L
-
HD2
PRO
V
452
R
-
N
VAL
A
30
L
-
HD3
PRO
V
452
R
-
CA
VAL
A
30
L
-
CD
PRO
V
452
R
-
CA
VAL
A
30
L
-
HG2
PRO
V
452
R
-
CA
VAL
A
30
L
-
HD2
PRO
V
452
R
-
CA
VAL
A
30
L
-
HD3
PRO
V
452
R
-
C
VAL
A
30
L
-
CG
PRO
V
452
R
-
C
VAL
A
30
L
-
HG2
PRO
V
452
R
-
C
VAL
A
30
L
-
HG3
PRO
V
452
R
-
C
VAL
A
30
L
-
HD3
PRO
V
452
R
-
CB
VAL
A
30
L
-
CG
PRO
V
452
R
-
CB
VAL
A
30
L
-
CD
PRO
V
452
R
-
CB
VAL
A
30
L
-
HG2
PRO
V
452
R
-
CB
VAL
A
30
L
-
HD2
PRO
V
452
R
-
CB
VAL
A
30
L
-
HD3
PRO
V
452
R
-
O
VAL
A
30
L
-
CG
PRO
V
452
R
-
O
VAL
A
30
L
-
CD
PRO
V
452
R
-
O
VAL
A
30
L
-
HG2
PRO
V
452
R
-
O
VAL
A
30
L
-
HG3
PRO
V
452
R
-
O
VAL
A
30
L
-
HD3
PRO
V
452
R
-
CG1
VAL
A
30
L
-
HG2
PRO
V
452
R
-
CG1
VAL
A
30
L
-
HD2
PRO
V
452
R
-
CG1
VAL
A
30
L
H
HB1
ALA
V
455
R
-
CG2
VAL
A
30
L
-
HG13
VAL
V
451
R
-
CG2
VAL
A
30
L
-
CD
PRO
V
452
R
-
CG2
VAL
A
30
L
-
HD2
PRO
V
452
R
-
CG2
VAL
A
30
L
-
HD3
PRO
V
452
R
-
CG2
VAL
A
30
L
H
CB
ALA
V
455
R
-
CG2
VAL
A
30
L
H
HB1
ALA
V
455
R
-
CG2
VAL
A
30
L
H
HB2
ALA
V
455
R
-
CG2
VAL
A
30
L
H
HB3
ALA
V
455
R
-
C
PRO
A
533
L
H
HB1
ALA
V
432
R
-
O
PRO
A
533
L
H
HB1
ALA
V
432
R
-
N
GLY
A
534
L
H
CB
ALA
V
432
R
-
N
GLY
A
534
L
H
HB1
ALA
V
432
R
-
N
GLY
A
534
L
H
HB2
ALA
V
432
R
-
N
GLY
A
534
L
H
HB3
ALA
V
432
R
-
CA
GLY
A
534
L
H
CB
ALA
V
432
R
-
CA
GLY
A
534
L
H
HB1
ALA
V
432
R
-
CA
GLY
A
534
L
H
HB2
ALA
V
432
R
-
CA
GLY
A
534
L
H
HB3
ALA
V
432
R
-
C
GLY
A
534
L
H
HB1
ALA
V
432
R
-
O
GLY
A
534
L
H
HD23
LEU
V
436
R
S
CE
LYS
A
536
L
H
CD1
LEU
V
436
R
S
CE
LYS
A
536
L
H
HD12
LEU
V
436
R
S
CE
LYS
A
536
L
H
HD13
LEU
V
436
R
S
CE
LYS
A
536
L
H
HD22
LEU
V
436
R
S
CE
LYS
A
536
L
H
HD23
LEU
V
436
R
S
NZ
LYS
A
536
L
H
CD1
LEU
V
436
R
S
NZ
LYS
A
536
L
H
HD11
LEU
V
436
R
S
NZ
LYS
A
536
L
H
HD12
LEU
V
436
R
S
NZ
LYS
A
536
L
H
HD13
LEU
V
436