A1IGU5_Q96S82.1
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
-
THR
V
314
R
H
TRP
A
278
L
H
ASP
V
316
R
H
TRP
A
278
L
H
LEU
V
317
R
H
TRP
A
278
L
H
GLN
V
320
R
H
LEU
A
281
L
H
ASP
V
316
R
H
CYS
A
282
L
-
THR
V
314
R
H
CYS
A
282
L
H
ASP
V
316
R
H
GLU
A
285
L
H
ASN
V
315
R
H
GLU
A
285
L
H
ASP
V
316
R
H
ASN
A
288
L
-
SER
V
208
R
H
ASN
A
289
L
H
ASN
V
315
R
H
ASP
A
295
L
-
THR
V
205
R
H
LEU
A
297
L
H
ARG
V
111
R
H
PHE
A
300
L
H
ARG
V
111
R
H
PHE
A
300
L
H
ARG
V
114
R
H
PHE
A
300
L
H
VAL
V
115
R
-
PHE
A
303
L
H
ARG
V
114
R
-
PHE
A
303
L
H
HIS
V
117
R
-
PHE
A
303
L
H
THR
V
118
R
H
PRO
A
305
L
H
ARG
V
114
R
H
TYR
A
320
L
H
MET
V
110
R
H
TYR
A
320
L
-
PRO
V
172
R
H
TYR
A
320
L
-
ASN
V
173
R
H
TYR
A
320
L
H
LEU
V
175
R
H
CYS
A
321
L
-
ASN
V
173
R
H
LEU
A
323
L
H
MET
V
110
R
H
ALA
A
324
L
H
ARG
V
114
R
H
HIS
A
328
L
H
ARG
V
114
R
H
PHE
A
332
L
H
ARG
V
111
R
H
PHE
A
332
L
H
ARG
V
114
R
H
GLN
A
411
L
-
GLN
V
308
R
H
GLN
A
411
L
-
SER
V
309
R
H
MET
A
414
L
-
THR
V
311
R
H
MET
A
414
L
-
PRO
V
312
R
H
MET
A
414
L
-
THR
V
314
R
H
GLN
A
415
L
-
SER
V
309
R
H
GLN
A
415
L
-
THR
V
311
R
H
LEU
A
417
L
-
PRO
V
312
R
H
GLY
A
418
L
-
PRO
V
312
R
H
MET
A
421
L
-
PRO
V
312
R
H
LEU
A
431
L
H
ARG
V
111
R
H
ALA
A
432
L
H
VAL
V
107
R
H
VAL
A
435
L
H
VAL
V
107
R
H
LEU
A
436
L
H
VAL
V
107
R
H
MET
A
443
L
H
LYS
V
106
R
H
MET
A
443
L
H
ASP
V
176
R
-
LEU
A
446
L
H
ASP
V
176
R
H
GLU
A
453
L
H
PRO
V
180
R
H
PHE
A
456
L
H
ASP
V
176
R
H
PHE
A
456
L
H
THR
V
177
R
H
PHE
A
456
L
H
PRO
V
180
R
H
ARG
A
457
L
-
ASP
V
153
R
H
ARG
A
457
L
H
ILE
V
155
R
H
ARG
A
457
L
H
ALA
V
181
R
H
ARG
A
457
L
-
HIS
V
182
R
H
VAL
A
460
L
H
THR
V
177
R
H
GLU
A
461
L
H
ILE
V
155
R
H
GLU
A
461
L
-
HIS
V
182
R
H
LEU
A
464
L
H
PHE
V
169
R
-
GLY
A
519
L
H
LYS
V
163
R
-
THR
A
520
L
H
GLN
V
161
R
-
THR
A
520
L
-
ASP
V
162
R
-
THR
A
522
L
-
SER
V
135
R
-
THR
A
522
L
H
LYS
V
137
R
-
THR
A
526
L
H
LYS
V
163
R
-
PRO
A
599
L
-
ARG
V
218
R
-
ILE
A
601
L
-
ARG
V
218
R
-
THR
A
603
L
-
SER
V
216
R
-
THR
A
603
L
-
TYR
V
217
R
-
ASN
A
605
L
-
SER
V
215
R
-
ASN
A
605
L
-
TYR
V
217
R
-
LEU
A
668
L
-
MET
V
220
R
-
GLY
A
670
L
-
MET
V
220
R
-
TRP
A
671
L
-
PRO
V
221
R
-
TRP
A
671
L
-
GLY
V
222
A1IGU5_Q96S82.1
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
CD1
TRP
A
278
L
H
HB2
ASP
V
316
R
H
CD1
TRP
A
278
L
H
OE1
GLN
V
320
R
H
CD1
TRP
A
278
L
H
HE22
GLN
V
320
R
H
CE2
TRP
A
278
L
H
HB2
ASP
V
316
R
H
CE2
TRP
A
278
L
H
HB3
ASP
V
316
R
H
CE2
TRP
A
278
L
H
HB2
LEU
V
317
R
H
CE2
TRP
A
278
L
H
HD13
LEU
V
317
R
H
NE1
TRP
A
278
L
H
CB
ASP
V
316
R
H
NE1
TRP
A
278
L
H
HB2
ASP
V
316
R
H
NE1
TRP
A
278
L
H
HB3
ASP
V
316
R
H
NE1
TRP
A
278
L
H
HA
LEU
V
317
R
H
NE1
TRP
A
278
L
H
HB2
LEU
V
317
R
H
NE1
TRP
A
278
L
H
HD13
LEU
V
317
R
H
NE1
TRP
A
278
L
H
OE1
GLN
V
320
R
H
CH2
TRP
A
278
L
-
HB
THR
V
314
R
H
CH2
TRP
A
278
L
-
HG1
THR
V
314
R
H
CH2
TRP
A
278
L
H
HB2
LEU
V
317
R
H
CH2
TRP
A
278
L
H
HD23
LEU
V
317
R
H
CZ2
TRP
A
278
L
-
HB
THR
V
314
R
H
CZ2
TRP
A
278
L
H
HB3
ASP
V
316
R
H
CZ2
TRP
A
278
L
H
N
LEU
V
317
R
H
CZ2
TRP
A
278
L
H
CA
LEU
V
317
R
H
CZ2
TRP
A
278
L
H
CB
LEU
V
317
R
H
CZ2
TRP
A
278
L
H
H
LEU
V
317
R
H
CZ2
TRP
A
278
L
H
HA
LEU
V
317
R
H
CZ2
TRP
A
278
L
H
HB2
LEU
V
317
R
H
CZ2
TRP
A
278
L
H
HD13
LEU
V
317
R
H
CZ2
TRP
A
278
L
H
HD23
LEU
V
317
R
H
C
LEU
A
281
L
H
OD1
ASP
V
316
R
H
CB
LEU
A
281
L
H
OD1
ASP
V
316
R
H
N
CYS
A
282
L
H
CG
ASP
V
316
R
H
N
CYS
A
282
L
H
OD2
ASP
V
316
R
H
CA
CYS
A
282
L
-
CG2
THR
V
314
R
H
CA
CYS
A
282
L
-
HG21
THR
V
314
R
H
CA
CYS
A
282
L
-
HG22
THR
V
314
R
H
CA
CYS
A
282
L
-
HG23
THR
V
314
R
H
CA
CYS
A
282
L
H
OD2
ASP
V
316
R
H
C
CYS
A
282
L
-
HG21
THR
V
314
R
H
CB
CYS
A
282
L
-
CG2
THR
V
314
R
H
CB
CYS
A
282
L
-
HG21
THR
V
314
R
H
CB
CYS
A
282
L
-
HG22
THR
V
314
R
H
CB
CYS
A
282
L
-
HG23
THR
V
314
R
H
SG
CYS
A
282
L
-
CB
THR
V
314
R
H
SG
CYS
A
282
L
-
CG2
THR
V
314
R
H
SG
CYS
A
282
L
-
OG1
THR
V
314
R
H
SG
CYS
A
282
L
-
HB
THR
V
314
R
H
SG
CYS
A
282
L
-
HG21
THR
V
314
R
H
SG
CYS
A
282
L
-
HG22
THR
V
314
R
H
SG
CYS
A
282
L
-
HG23
THR
V
314
R
H
SG
CYS
A
282
L
H
CB
ASP
V
316
R
H
SG
CYS
A
282
L
H
CG
ASP
V
316
R
H
SG
CYS
A
282
L
H
OD2
ASP
V
316
R
H
SG
CYS
A
282
L
H
HB3
ASP
V
316
R
H
CB
GLU
A
285
L
H
OD2
ASP
V
316
R
H
CG
GLU
A
285
L
H
HB3
ASN
V
315
R
H
CG
GLU
A
285
L
H
OD2
ASP
V
316
R
H
CG
ASN
A
288
L
-
HG
SER
V
208
R
H
ND2
ASN
A
288
L
-
HG
SER
V
208
R
H
OD1
ASN
A
288
L
-
HG
SER
V
208
R
H
ND2
ASN
A
289
L
H
HD21
ASN
V
315
R
H
OD2
ASP
A
295
L
-
HG22
THR
V
205
R
H
CD1
LEU
A
297
L
H
NH1
ARG
V
111
R
H
CD1
LEU
A
297
L
H
HH12
ARG
V
111
R
H
CD1
LEU
A
297
L
H
HH22
ARG
V
111
R
H
CG
PHE
A
300
L
H
HG3
ARG
V
111
R
H
CG
PHE
A
300
L
H
HH11
ARG
V
111
R
H
CG
PHE
A
300
L
H
HD2
ARG
V
114
R
H
CD1
PHE
A
300
L
H
HH12
ARG
V
111
R
H
CD2
PHE
A
300
L
H
HG3
ARG
V
111
R
H
CD2
PHE
A
300
L
H
HB3
ARG
V
114
R
H
CD2
PHE
A
300
L
H
HD2
ARG
V
114
R
H
CD2
PHE
A
300
L
H
CG2
VAL
V
115
R
H
CD2
PHE
A
300
L
H
HG21
VAL
V
115
R
H
CD2
PHE
A
300
L
H
HG23
VAL
V
115
R
H
CE1
PHE
A
300
L
H
HD2
ARG
V
114
R
H
CE1
PHE
A
300
L
H
HH11
ARG
V
114
R
H
CE2
PHE
A
300
L
H
O
ARG
V
111
R
H
CE2
PHE
A
300
L
H
HA
ARG
V
111
R
H
CE2
PHE
A
300
L
H
HG3
ARG
V
111
R
H
CE2
PHE
A
300
L
H
CB
ARG
V
114
R
H
CE2
PHE
A
300
L
H
CG
ARG
V
114
R
H
CE2
PHE
A
300
L
H
CD
ARG
V
114
R
H
CE2
PHE
A
300
L
H
NE
ARG
V
114
R
H
CE2
PHE
A
300
L
H
HB3
ARG
V
114
R
H
CE2
PHE
A
300
L
H
HG2
ARG
V
114
R
H
CE2
PHE
A
300
L
H
HD2
ARG
V
114
R
H
CE2
PHE
A
300
L
H
HD3
ARG
V
114
R
H
CE2
PHE
A
300
L
H
HG21
VAL
V
115
R
H
CZ
PHE
A
300
L
H
HA
ARG
V
111
R
H
CZ
PHE
A
300
L
H
HG3
ARG
V
111
R
H
CZ
PHE
A
300
L
H
CD
ARG
V
114
R
H
CZ
PHE
A
300
L
H
NE
ARG
V
114
R
H
CZ
PHE
A
300
L
H
NH1
ARG
V
114
R
H
CZ
PHE
A
300
L
H
CZ
ARG
V
114
R
H
CZ
PHE
A
300
L
H
HB3
ARG
V
114
R
H
CZ
PHE
A
300
L
H
HD2
ARG
V
114
R
H
CZ
PHE
A
300
L
H
HD3
ARG
V
114
R
H
CZ
PHE
A
300
L
H
HH11
ARG
V
114
R
-
CA
PHE
A
303
L
H
HG21
THR
V
118
R
-
CB
PHE
A
303
L
H
CB
THR
V
118
R
-
CB
PHE
A
303
L
H
CG2
THR
V
118
R
-
CB
PHE
A
303
L
H
OG1
THR
V
118
R
-
CB
PHE
A
303
L
H
HG1
THR
V
118
R
-
CB
PHE
A
303
L
H
HG21
THR
V
118
R
-
CB
PHE
A
303
L
H
HG23
THR
V
118
R
-
O
PHE
A
303
L
H
HD3
ARG
V
114
R
-
CG
PHE
A
303
L
H
CB
THR
V
118
R
-
CG
PHE
A
303
L
H
CG2
THR
V
118
R
-
CG
PHE
A
303
L
H
OG1
THR
V
118
R
-
CG
PHE
A
303
L
H
HA
THR
V
118
R
-
CG
PHE
A
303
L
H
HB
THR
V
118
R
-
CG
PHE
A
303
L
H
HG1
THR
V
118
R
-
CG
PHE
A
303
L
H
HG21
THR
V
118
R
-
CG
PHE
A
303
L
H
HG23
THR
V
118
R
-
CD1
PHE
A
303
L
H
O
ARG
V
114
R
-
CD1
PHE
A
303
L
H
CG
ARG
V
114
R
-
CD1
PHE
A
303
L
H
HG2
ARG
V
114
R
-
CD1
PHE
A
303
L
H
HG3
ARG
V
114
R
-
CD1
PHE
A
303
L
H
CA
THR
V
118
R
-
CD1
PHE
A
303
L
H
CB
THR
V
118
R
-
CD1
PHE
A
303
L
H
CG2
THR
V
118
R
-
CD1
PHE
A
303
L
H
OG1
THR
V
118
R
-
CD1
PHE
A
303
L
H
H
THR
V
118
R
-
CD1
PHE
A
303
L
H
HA
THR
V
118
R
-
CD1
PHE
A
303
L
H
HB
THR
V
118
R
-
CD1
PHE
A
303
L
H
HG1
THR
V
118
R
-
CD1
PHE
A
303
L
H
HG21
THR
V
118
R
-
CD1
PHE
A
303
L
H
HG23
THR
V
118
R
-
CD2
PHE
A
303
L
H
CA
THR
V
118
R
-
CD2
PHE
A
303
L
H
CB
THR
V
118
R
-
CD2
PHE
A
303
L
H
CG2
THR
V
118
R
-
CD2
PHE
A
303
L
H
OG1
THR
V
118
R
-
CD2
PHE
A
303
L
H
HA
THR
V
118
R
-
CD2
PHE
A
303
L
H
HG1
THR
V
118
R
-
CD2
PHE
A
303
L
H
HG21
THR
V
118
R
-
CD2
PHE
A
303
L
H
HG22
THR
V
118
R
-
CD2
PHE
A
303
L
H
HG23
THR
V
118
R
-
CE1
PHE
A
303
L
H
O
ARG
V
114
R
-
CE1
PHE
A
303
L
H
HG2
ARG
V
114
R
-
CE1
PHE
A
303
L
H
HG3
ARG
V
114
R
-
CE1
PHE
A
303
L
H
ND1
HIS
V
117
R
-
CE1
PHE
A
303
L
H
N
THR
V
118
R
-
CE1
PHE
A
303
L
H
CA
THR
V
118
R
-
CE1
PHE
A
303
L
H
CB
THR
V
118
R
-
CE1
PHE
A
303
L
H
OG1
THR
V
118
R
-
CE1
PHE
A
303
L
H
H
THR
V
118
R
-
CE1
PHE
A
303
L
H
HA
THR
V
118
R
-
CE1
PHE
A
303
L
H
HB
THR
V
118
R
-
CE1
PHE
A
303
L
H
HG1
THR
V
118
R
-
CE1
PHE
A
303
L
H
HG23
THR
V
118
R
-
CE2
PHE
A
303
L
H
CA
THR
V
118
R
-
CE2
PHE
A
303
L
H
CB
THR
V
118
R
-
CE2
PHE
A
303
L
H
CG2
THR
V
118
R
-
CE2
PHE
A
303
L
H
OG1
THR
V
118
R
-
CE2
PHE
A
303
L
H
HA
THR
V
118
R
-
CE2
PHE
A
303
L
H
HG1
THR
V
118
R
-
CE2
PHE
A
303
L
H
HG21
THR
V
118
R
-
CE2
PHE
A
303
L
H
HG23
THR
V
118
R
-
CZ
PHE
A
303
L
H
ND1
HIS
V
117
R
-
CZ
PHE
A
303
L
H
CE1
HIS
V
117
R
-
CZ
PHE
A
303
L
H
HE1
HIS
V
117
R
-
CZ
PHE
A
303
L
H
N
THR
V
118
R
-
CZ
PHE
A
303
L
H
CA
THR
V
118
R
-
CZ
PHE
A
303
L
H
CB
THR
V
118
R
-
CZ
PHE
A
303
L
H
CG2
THR
V
118
R
-
CZ
PHE
A
303
L
H
OG1
THR
V
118
R
-
CZ
PHE
A
303
L
H
H
THR
V
118
R
-
CZ
PHE
A
303
L
H
HA
THR
V
118
R
-
CZ
PHE
A
303
L
H
HG1
THR
V
118
R
-
CZ
PHE
A
303
L
H
HG23
THR
V
118
R
H
CG
PRO
A
305
L
H
CG
ARG
V
114
R
H
CG
PRO
A
305
L
H
HG3
ARG
V
114
R
H
CG
PRO
A
305
L
H
HD3
ARG
V
114
R
H
CD
PRO
A
305
L
H
HG3
ARG
V
114
R
H
CD
PRO
A
305
L
H
HD3
ARG
V
114
R
H
CB
TYR
A
320
L
-
OD1
ASN
V
173
R
H
CB
TYR
A
320
L
-
HA
ASN
V
173
R
H
CG
TYR
A
320
L
-
O
PRO
V
172
R
H
CG
TYR
A
320
L
-
CA
ASN
V
173
R
H
CG
TYR
A
320
L
-
CB
ASN
V
173
R
H
CG
TYR
A
320
L
-
CG
ASN
V
173
R
H
CG
TYR
A
320
L
-
OD1
ASN
V
173
R
H
CG
TYR
A
320
L
-
HA
ASN
V
173
R
H
CD1
TYR
A
320
L
-
C
PRO
V
172
R
H
CD1
TYR
A
320
L
-
HG2
PRO
V
172
R
H
CD1
TYR
A
320
L
-
N
ASN
V
173
R
H
CD1
TYR
A
320
L
-
CA
ASN
V
173
R
H
CD1
TYR
A
320
L
-
CB
ASN
V
173
R
H
CD1
TYR
A
320
L
-
CG
ASN
V
173
R
H
CD1
TYR
A
320
L
-
ND2
ASN
V
173
R
H
CD1
TYR
A
320
L
-
OD1
ASN
V
173
R
H
CD1
TYR
A
320
L
-
HA
ASN
V
173
R
H
CD1
TYR
A
320
L
-
HB3
ASN
V
173
R
H
CD1
TYR
A
320
L
-
HD22
ASN
V
173
R
H
CD2
TYR
A
320
L
H
HE3
MET
V
110
R
H
CD2
TYR
A
320
L
-
C
PRO
V
172
R
H
CD2
TYR
A
320
L
-
O
PRO
V
172
R
H
CD2
TYR
A
320
L
-
CA
ASN
V
173
R
H
CD2
TYR
A
320
L
-
OD1
ASN
V
173
R
H
CD2
TYR
A
320
L
-
HA
ASN
V
173
R
H
CE1
TYR
A
320
L
-
CA
PRO
V
172
R
H
CE1
TYR
A
320
L
-
C
PRO
V
172
R
H
CE1
TYR
A
320
L
-
CB
PRO
V
172
R
H
CE1
TYR
A
320
L
-
O
PRO
V
172
R
H
CE1
TYR
A
320
L
-
CG
PRO
V
172
R
H
CE1
TYR
A
320
L
-
HB2
PRO
V
172
R
H
CE1
TYR
A
320
L
-
HG2
PRO
V
172
R
H
CE1
TYR
A
320
L
-
N
ASN
V
173
R
H
CE1
TYR
A
320
L
-
CA
ASN
V
173
R
H
CE1
TYR
A
320
L
-
CB
ASN
V
173
R
H
CE1
TYR
A
320
L
-
CG
ASN
V
173
R
H
CE1
TYR
A
320
L
-
OD1
ASN
V
173
R
H
CE1
TYR
A
320
L
-
H
ASN
V
173
R
H
CE1
TYR
A
320
L
-
HA
ASN
V
173
R
H
CE2
TYR
A
320
L
H
HG2
MET
V
110
R
H
CE2
TYR
A
320
L
H
HE3
MET
V
110
R
H
CE2
TYR
A
320
L
-
C
PRO
V
172
R
H
CE2
TYR
A
320
L
-
O
PRO
V
172
R
H
CE2
TYR
A
320
L
-
HB2
PRO
V
172
R
H
CE2
TYR
A
320
L
-
N
ASN
V
173
R
H
CE2
TYR
A
320
L
-
CA
ASN
V
173
R
H
CE2
TYR
A
320
L
-
HA
ASN
V
173
R
H
OH
TYR
A
320
L
H
HG2
MET
V
110
R
H
OH
TYR
A
320
L
-
N
PRO
V
172
R
H
OH
TYR
A
320
L
-
CA
PRO
V
172
R
H
OH
TYR
A
320
L
-
C
PRO
V
172
R
H
OH
TYR
A
320
L
-
CB
PRO
V
172
R
H
OH
TYR
A
320
L
-
O
PRO
V
172
R
H
OH
TYR
A
320
L
-
CG
PRO
V
172
R
H
OH
TYR
A
320
L
-
HA
PRO
V
172
R
H
OH
TYR
A
320
L
-
HB2
PRO
V
172
R
H
OH
TYR
A
320
L
-
HB3
PRO
V
172
R
H
OH
TYR
A
320
L
-
HG2
PRO
V
172
R
H
OH
TYR
A
320
L
-
HG3
PRO
V
172
R
H
OH
TYR
A
320
L
-
N
ASN
V
173
R
H
OH
TYR
A
320
L
-
H
ASN
V
173
R
H
OH
TYR
A
320
L
H
HD12
LEU
V
175
R
H
CZ
TYR
A
320
L
-
CA
PRO
V
172
R
H
CZ
TYR
A
320
L
-
C
PRO
V
172
R
H
CZ
TYR
A
320
L
-
CB
PRO
V
172
R
H
CZ
TYR
A
320
L
-
O
PRO
V
172
R
H
CZ
TYR
A
320
L
-
CG
PRO
V
172
R
H
CZ
TYR
A
320
L
-
HA
PRO
V
172
R
H
CZ
TYR
A
320
L
-
HB2
PRO
V
172
R
H
CZ
TYR
A
320
L
-
HB3
PRO
V
172
R
H
CZ
TYR
A
320
L
-
HG2
PRO
V
172
R
H
CZ
TYR
A
320
L
-
N
ASN
V
173
R
H
CZ
TYR
A
320
L
-
CA
ASN
V
173
R
H
CZ
TYR
A
320
L
-
OD1
ASN
V
173
R
H
CZ
TYR
A
320
L
-
H
ASN
V
173
R
H
CZ
TYR
A
320
L
-
HA
ASN
V
173
R
H
SG
CYS
A
321
L
-
HD22
ASN
V
173
R
H
CD2
LEU
A
323
L
H
HE1
MET
V
110
R
H
CA
ALA
A
324
L
H
NH2
ARG
V
114
R
H
CA
ALA
A
324
L
H
HH22
ARG
V
114
R
H
C
ALA
A
324
L
H
HH22
ARG
V
114
R
H
CB
ALA
A
324
L
H
NH2
ARG
V
114
R
H
CB
ALA
A
324
L
H
HH21
ARG
V
114
R
H
CB
ALA
A
324
L
H
HH22
ARG
V
114
R
H
O
ALA
A
324
L
H
NH1
ARG
V
114
R
H
O
ALA
A
324
L
H
HH12
ARG
V
114
R
H
O
ALA
A
324
L
H
HH22
ARG
V
114
R
H
N
HIS
A
328
L
H
HH12
ARG
V
114
R
H
CA
HIS
A
328
L
H
HH12
ARG
V
114
R
H
CB
HIS
A
328
L
H
NH1
ARG
V
114
R
H
CB
HIS
A
328
L
H
HH11
ARG
V
114
R
H
CB
HIS
A
328
L
H
HH12
ARG
V
114
R
H
CG
HIS
A
328
L
H
HH11
ARG
V
114
R
H
CG
HIS
A
328
L
H
HH12
ARG
V
114
R
H
ND1
HIS
A
328
L
H
NH1
ARG
V
114
R
H
ND1
HIS
A
328
L
H
HH11
ARG
V
114
R
H
ND1
HIS
A
328
L
H
HH12
ARG
V
114
R
H
CE1
HIS
A
328
L
H
HH11
ARG
V
114
R
H
CD1
PHE
A
332
L
H
NH2
ARG
V
111
R
H
CD1
PHE
A
332
L
H
HH21
ARG
V
111
R
H
CD1
PHE
A
332
L
H
HH22
ARG
V
111
R
H
CE1
PHE
A
332
L
H
NH2
ARG
V
111
R
H
CE1
PHE
A
332
L
H
HH21
ARG
V
111
R
H
CE1
PHE
A
332
L
H
HH22
ARG
V
111
R
H
CE2
PHE
A
332
L
H
HH12
ARG
V
114
R
H
CZ
PHE
A
332
L
H
HH21
ARG
V
111
R
H
CG
GLN
A
411
L
-
HB2
SER
V
309
R
H
CG
GLN
A
411
L
-
HG
SER
V
309
R
H
CD
GLN
A
411
L
-
CG
GLN
V
308
R
H
CD
GLN
A
411
L
-
CD
GLN
V
308
R
H
CD
GLN
A
411
L
-
NE2
GLN
V
308
R
H
CD
GLN
A
411
L
-
HB2
GLN
V
308
R
H
CD
GLN
A
411
L
-
HG2
GLN
V
308
R
H
CD
GLN
A
411
L
-
HE21
GLN
V
308
R
H
CD
GLN
A
411
L
-
HG
SER
V
309
R
H
NE2
GLN
A
411
L
-
CA
GLN
V
308
R
H
NE2
GLN
A
411
L
-
CB
GLN
V
308
R
H
NE2
GLN
A
411
L
-
CG
GLN
V
308
R
H
NE2
GLN
A
411
L
-
CD
GLN
V
308
R
H
NE2
GLN
A
411
L
-
NE2
GLN
V
308
R
H
NE2
GLN
A
411
L
-
HA
GLN
V
308
R
H
NE2
GLN
A
411
L
-
HB2
GLN
V
308
R
H
NE2
GLN
A
411
L
-
HG2
GLN
V
308
R
H
NE2
GLN
A
411
L
-
HE21
GLN
V
308
R
H
NE2
GLN
A
411
L
-
OG
SER
V
309
R
H
NE2
GLN
A
411
L
-
HB2
SER
V
309
R
H
NE2
GLN
A
411
L
-
HG
SER
V
309
R
H
OE1
GLN
A
411
L
-
CD
GLN
V
308
R
H
OE1
GLN
A
411
L
-
NE2
GLN
V
308
R
H
OE1
GLN
A
411
L
-
HG2
GLN
V
308
R
H
OE1
GLN
A
411
L
-
HE21
GLN
V
308
R
H
OE1
GLN
A
411
L
-
HE22
GLN
V
308
R
H
CA
MET
A
414
L
-
CG2
THR
V
311
R
H
CA
MET
A
414
L
-
HG21
THR
V
311
R
H
CA
MET
A
414
L
-
HG23
THR
V
311
R
H
C
MET
A
414
L
-
CG2
THR
V
311
R
H
C
MET
A
414
L
-
HG21
THR
V
311
R
H
C
MET
A
414
L
-
HG23
THR
V
311
R
H
CB
MET
A
414
L
-
CB
THR
V
311
R
H
CB
MET
A
414
L
-
CG2
THR
V
311
R
H
CB
MET
A
414
L
-
HB
THR
V
311
R
H
CB
MET
A
414
L
-
HG21
THR
V
311
R
H
CB
MET
A
414
L
-
HG22
THR
V
311
R
H
CB
MET
A
414
L
-
HG23
THR
V
311
R
H
O
MET
A
414
L
-
CG2
THR
V
311
R
H
O
MET
A
414
L
-
HA
THR
V
311
R
H
O
MET
A
414
L
-
HG23
THR
V
311
R
H
O
MET
A
414
L
-
HD2
PRO
V
312
R
H
CG
MET
A
414
L
-
CG2
THR
V
311
R
H
CG
MET
A
414
L
-
HG21
THR
V
311
R
H
CG
MET
A
414
L
-
HG23
THR
V
311
R
H
SD
MET
A
414
L
-
HB
THR
V
311
R
H
SD
MET
A
414
L
-
HG21
THR
V
311
R
H
CE
MET
A
414
L
-
CB
THR
V
311
R
H
CE
MET
A
414
L
-
CG2
THR
V
311
R
H
CE
MET
A
414
L
-
OG1
THR
V
311
R
H
CE
MET
A
414
L
-
HB
THR
V
311
R
H
CE
MET
A
414
L
-
HG1
THR
V
311
R
H
CE
MET
A
414
L
-
HG21
THR
V
311
R
H
CE
MET
A
414
L
-
HG23
THR
V
311
R
H
CE
MET
A
414
L
-
HG1
THR
V
314
R
H
N
GLN
A
415
L
-
HG23
THR
V
311
R
H
CG
GLN
A
415
L
-
CB
SER
V
309
R
H
CG
GLN
A
415
L
-
HB2
SER
V
309
R
H
CG
GLN
A
415
L
-
HB3
SER
V
309
R
H
CG
GLN
A
415
L
-
HG
SER
V
309
R
H
CD
GLN
A
415
L
-
OG
SER
V
309
R
H
CD
GLN
A
415
L
-
HB3
SER
V
309
R
H
CD
GLN
A
415
L
-
HG
SER
V
309
R
H
NE2
GLN
A
415
L
-
CB
SER
V
309
R
H
NE2
GLN
A
415
L
-
OG
SER
V
309
R
H
NE2
GLN
A
415
L
-
HB2
SER
V
309
R
H
NE2
GLN
A
415
L
-
HB3
SER
V
309
R
H
NE2
GLN
A
415
L
-
HG
SER
V
309
R
H
C
LEU
A
417
L
-
HG2
PRO
V
312
R
H
O
LEU
A
417
L
-
HG2
PRO
V
312
R
H
N
GLY
A
418
L
-
CG
PRO
V
312
R
H
N
GLY
A
418
L
-
CD
PRO
V
312
R
H
N
GLY
A
418
L
-
HG2
PRO
V
312
R
H
N
GLY
A
418
L
-
HG3
PRO
V
312
R
H
N
GLY
A
418
L
-
HD2
PRO
V
312
R
H
N
GLY
A
418
L
-
HD3
PRO
V
312
R
H
CA
GLY
A
418
L
-
CG
PRO
V
312
R
H
CA
GLY
A
418
L
-
CD
PRO
V
312
R
H
CA
GLY
A
418
L
-
HG2
PRO
V
312
R
H
CA
GLY
A
418
L
-
HG3
PRO
V
312
R
H
CA
GLY
A
418
L
-
HD2
PRO
V
312
R
H
CA
GLY
A
418
L
-
HD3
PRO
V
312
R
H
C
GLY
A
418
L
-
HG2
PRO
V
312
R
H
C
GLY
A
418
L
-
HD3
PRO
V
312
R
H
O
GLY
A
418
L
-
HG2
PRO
V
312
R
H
CB
MET
A
421
L
-
HG2
PRO
V
312
R
H
CG
MET
A
421
L
-
HG2
PRO
V
312
R
H
SD
MET
A
421
L
-
CB
PRO
V
312
R
H
SD
MET
A
421
L
-
CG
PRO
V
312
R
H
SD
MET
A
421
L
-
HB2
PRO
V
312
R
H
SD
MET
A
421
L
-
HB3
PRO
V
312
R
H
SD
MET
A
421
L
-
HG2
PRO
V
312
R
H
SD
MET
A
421
L
-
HG3
PRO
V
312
R
H
CE
MET
A
421
L
-
CB
PRO
V
312
R
H
CE
MET
A
421
L
-
HB2
PRO
V
312
R
H
CD2
LEU
A
431
L
H
HH21
ARG
V
111
R
H
CD2
LEU
A
431
L
H
HH22
ARG
V
111
R
H
CA
ALA
A
432
L
H
HG13
VAL
V
107
R
H
CA
ALA
A
432
L
H
HG23
VAL
V
107
R
H
O
ALA
A
432
L
H
HG23
VAL
V
107
R
H
C
VAL
A
435
L
H
HG22
VAL
V
107
R
H
CB
VAL
A
435
L
H
CG1
VAL
V
107
R
H
CB
VAL
A
435
L
H
CG2
VAL
V
107
R
H
CB
VAL
A
435
L
H
HG12
VAL
V
107
R
H
CB
VAL
A
435
L
H
HG13
VAL
V
107
R
H
CB
VAL
A
435
L
H
HG22
VAL
V
107
R
H
CB
VAL
A
435
L
H
HG23
VAL
V
107
R
H
CG1
VAL
A
435
L
H
CB
VAL
V
107
R
H
CG1
VAL
A
435
L
H
CG1
VAL
V
107
R
H
CG1
VAL
A
435
L
H
CG2
VAL
V
107
R
H
CG1
VAL
A
435
L
H
HA
VAL
V
107
R
H
CG1
VAL
A
435
L
H
HG12
VAL
V
107
R
H
CG1
VAL
A
435
L
H
HG13
VAL
V
107
R
H
CG1
VAL
A
435
L
H
HG22
VAL
V
107
R
H
CG1
VAL
A
435
L
H
HG23
VAL
V
107
R
H
CG2
VAL
A
435
L
H
CG1
VAL
V
107
R
H
CG2
VAL
A
435
L
H
HG12
VAL
V
107
R
H
CG2
VAL
A
435
L
H
HG13
VAL
V
107
R
H
N
LEU
A
436
L
H
HG22
VAL
V
107
R
H
N
LEU
A
436
L
H
HG23
VAL
V
107
R
H
CG
MET
A
443
L
H
HZ3
LYS
V
106
R
H
CG
MET
A
443
L
H
OD1
ASP
V
176
R
H
SD
MET
A
443
L
H
NZ
LYS
V
106
R
H
SD
MET
A
443
L
H
HZ1
LYS
V
106
R
H
SD
MET
A
443
L
H
HZ2
LYS
V
106
R
H
SD
MET
A
443
L
H
HZ3
LYS
V
106
R
H
SD
MET
A
443
L
H
OD1
ASP
V
176
R
H
CE
MET
A
443
L
H
HZ3
LYS
V
106
R
-
CD1
LEU
A
446
L
H
HB3
ASP
V
176
R
H
CA
GLU
A
453
L
H
HB2
PRO
V
180
R
H
CB
GLU
A
453
L
H
HB2
PRO
V
180
R
H
CG
GLU
A
453
L
H
CA
PRO
V
180
R
H
CG
GLU
A
453
L
H
C
PRO
V
180
R
H
CG
GLU
A
453
L
H
CB
PRO
V
180
R
H
CG
GLU
A
453
L
H
O
PRO
V
180
R
H
CG
GLU
A
453
L
H
HA
PRO
V
180
R
H
CG
GLU
A
453
L
H
HB2
PRO
V
180
R
H
CG
GLU
A
453
L
H
HB3
PRO
V
180
R
H
CD
GLU
A
453
L
H
O
PRO
V
180
R
H
CD
GLU
A
453
L
H
HA
PRO
V
180
R
H
CD
GLU
A
453
L
H
HB2
PRO
V
180
R
H
OE1
GLU
A
453
L
H
CA
PRO
V
180
R
H
OE1
GLU
A
453
L
H
C
PRO
V
180
R
H
OE1
GLU
A
453
L
H
O
PRO
V
180
R
H
OE1
GLU
A
453
L
H
HA
PRO
V
180
R
H
CG
PHE
A
456
L
H
HG23
THR
V
177
R
H
CD1
PHE
A
456
L
H
HA
THR
V
177
R
H
CD1
PHE
A
456
L
H
HG23
THR
V
177
R
H
CD1
PHE
A
456
L
H
CG
PRO
V
180
R
H
CD1
PHE
A
456
L
H
HB2
PRO
V
180
R
H
CD1
PHE
A
456
L
H
HG2
PRO
V
180
R
H
CD1
PHE
A
456
L
H
HG3
PRO
V
180
R
H
CD2
PHE
A
456
L
H
HG23
THR
V
177
R
H
CE1
PHE
A
456
L
H
O
ASP
V
176
R
H
CE1
PHE
A
456
L
H
CA
THR
V
177
R
H
CE1
PHE
A
456
L
H
C
THR
V
177
R
H
CE1
PHE
A
456
L
H
CB
THR
V
177
R
H
CE1
PHE
A
456
L
H
O
THR
V
177
R
H
CE1
PHE
A
456
L
H
CG2
THR
V
177
R
H
CE1
PHE
A
456
L
H
OG1
THR
V
177
R
H
CE1
PHE
A
456
L
H
HA
THR
V
177
R
H
CE1
PHE
A
456
L
H
HG22
THR
V
177
R
H
CE1
PHE
A
456
L
H
HG23
THR
V
177
R
H
CE1
PHE
A
456
L
H
CG
PRO
V
180
R
H
CE1
PHE
A
456
L
H
HG2
PRO
V
180
R
H
CE1
PHE
A
456
L
H
HG3
PRO
V
180
R
H
CE2
PHE
A
456
L
H
CG2
THR
V
177
R
H
CE2
PHE
A
456
L
H
HA
THR
V
177
R
H
CE2
PHE
A
456
L
H
HG23
THR
V
177
R
H
CZ
PHE
A
456
L
H
CA
THR
V
177
R
H
CZ
PHE
A
456
L
H
CB
THR
V
177
R
H
CZ
PHE
A
456
L
H
CG2
THR
V
177
R
H
CZ
PHE
A
456
L
H
OG1
THR
V
177
R
H
CZ
PHE
A
456
L
H
HA
THR
V
177
R
H
CZ
PHE
A
456
L
H
HG1
THR
V
177
R
H
CZ
PHE
A
456
L
H
HG21
THR
V
177
R
H
CZ
PHE
A
456
L
H
HG22
THR
V
177
R
H
CZ
PHE
A
456
L
H
HG23
THR
V
177
R
H
CA
ARG
A
457
L
H
HB1
ALA
V
181
R
H
CA
ARG
A
457
L
H
HB3
ALA
V
181
R
H
CB
ARG
A
457
L
H
CB
ALA
V
181
R
H
CB
ARG
A
457
L
H
HA
ALA
V
181
R
H
CB
ARG
A
457
L
H
HB1
ALA
V
181
R
H
CB
ARG
A
457
L
H
HB3
ALA
V
181
R
H
CG
ARG
A
457
L
H
CA
ALA
V
181
R
H
CG
ARG
A
457
L
H
CB
ALA
V
181
R
H
CG
ARG
A
457
L
H
HA
ALA
V
181
R
H
CG
ARG
A
457
L
H
HB1
ALA
V
181
R
H
CG
ARG
A
457
L
H
HB3
ALA
V
181
R
H
CD
ARG
A
457
L
H
CA
ALA
V
181
R
H
CD
ARG
A
457
L
H
O
ALA
V
181
R
H
CD
ARG
A
457
L
H
HA
ALA
V
181
R
H
CD
ARG
A
457
L
H
HB1
ALA
V
181
R
H
NE
ARG
A
457
L
H
O
ALA
V
181
R
H
NE
ARG
A
457
L
H
HA
ALA
V
181
R
H
NE
ARG
A
457
L
H
HB1
ALA
V
181
R
H
NE
ARG
A
457
L
-
CE1
HIS
V
182
R
H
NE
ARG
A
457
L
-
NE2
HIS
V
182
R
H
NE
ARG
A
457
L
-
HE1
HIS
V
182
R
H
NH1
ARG
A
457
L
H
C
ALA
V
181
R
H
NH1
ARG
A
457
L
H
O
ALA
V
181
R
H
NH2
ARG
A
457
L
-
OD2
ASP
V
153
R
H
NH2
ARG
A
457
L
H
HD13
ILE
V
155
R
H
NH2
ARG
A
457
L
H
O
ALA
V
181
R
H
NH2
ARG
A
457
L
-
ND1
HIS
V
182
R
H
NH2
ARG
A
457
L
-
CE1
HIS
V
182
R
H
NH2
ARG
A
457
L
-
HE1
HIS
V
182
R
H
NH2
ARG
A
457
L
-
HD1
HIS
V
182
R
H
CZ
ARG
A
457
L
H
C
ALA
V
181
R
H
CZ
ARG
A
457
L
H
O
ALA
V
181
R
H
CZ
ARG
A
457
L
-
ND1
HIS
V
182
R
H
CZ
ARG
A
457
L
-
CE1
HIS
V
182
R
H
CZ
ARG
A
457
L
-
HE1
HIS
V
182
R
H
CZ
ARG
A
457
L
-
HD1
HIS
V
182
R
H
CB
VAL
A
460
L
H
CG2
THR
V
177
R
H
CB
VAL
A
460
L
H
HG21
THR
V
177
R
H
CB
VAL
A
460
L
H
HG22
THR
V
177
R
H
CB
VAL
A
460
L
H
HG23
THR
V
177
R
H
CG1
VAL
A
460
L
H
CG2
THR
V
177
R
H
CG1
VAL
A
460
L
H
HG21
THR
V
177
R
H
CG1
VAL
A
460
L
H
HG22
THR
V
177
R
H
CG1
VAL
A
460
L
H
HG23
THR
V
177
R
H
CG2
VAL
A
460
L
H
CB
THR
V
177
R
H
CG2
VAL
A
460
L
H
CG2
THR
V
177
R
H
CG2
VAL
A
460
L
H
HG21
THR
V
177
R
H
CG2
VAL
A
460
L
H
HG22
THR
V
177
R
H
CG2
VAL
A
460
L
H
HG23
THR
V
177
R
H
CG
GLU
A
461
L
H
CD1
ILE
V
155
R
H
CG
GLU
A
461
L
H
HD12
ILE
V
155
R
H
CD
GLU
A
461
L
H
CD1
ILE
V
155
R
H
CD
GLU
A
461
L
H
HD11
ILE
V
155
R
H
CD
GLU
A
461
L
H
HD12
ILE
V
155
R
H
CD
GLU
A
461
L
H
HD13
ILE
V
155
R
H
OE1
GLU
A
461
L
H
CD1
ILE
V
155
R
H
OE1
GLU
A
461
L
H
HD11
ILE
V
155
R
H
OE1
GLU
A
461
L
H
HD12
ILE
V
155
R
H
OE1
GLU
A
461
L
H
HD13
ILE
V
155
R
H
OE1
GLU
A
461
L
-
CE1
HIS
V
182
R
H
OE1
GLU
A
461
L
-
NE2
HIS
V
182
R
H
OE1
GLU
A
461
L
-
HE1
HIS
V
182
R
H
OE2
GLU
A
461
L
H
HD11
ILE
V
155
R
H
OE2
GLU
A
461
L
H
HD12
ILE
V
155
R
H
CG
LEU
A
464
L
H
HZ
PHE
V
169
R
H
CD1
LEU
A
464
L
H
CE1
PHE
V
169
R
H
CD1
LEU
A
464
L
H
CE2
PHE
V
169
R
H
CD1
LEU
A
464
L
H
CZ
PHE
V
169
R
H
CD1
LEU
A
464
L
H
HE1
PHE
V
169
R
H
CD1
LEU
A
464
L
H
HE2
PHE
V
169
R
H
CD1
LEU
A
464
L
H
HZ
PHE
V
169
R
H
CD2
LEU
A
464
L
H
CE2
PHE
V
169
R
H
CD2
LEU
A
464
L
H
CZ
PHE
V
169
R
H
CD2
LEU
A
464
L
H
HE2
PHE
V
169
R
H
CD2
LEU
A
464
L
H
HZ
PHE
V
169
R
-
O
GLY
A
519
L
H
HG2
LYS
V
163
R
-
C
THR
A
520
L
H
HB3
GLN
V
161
R
-
O
THR
A
520
L
H
C
GLN
V
161
R
-
O
THR
A
520
L
H
CB
GLN
V
161
R
-
O
THR
A
520
L
H
O
GLN
V
161
R
-
O
THR
A
520
L
H
HB3
GLN
V
161
R
-
CG2
THR
A
520
L
-
OD2
ASP
V
162
R
-
CA
THR
A
522
L
-
O
SER
V
135
R
-
CG2
THR
A
522
L
-
O
SER
V
135
R
-
CG2
THR
A
522
L
H
H
LYS
V
137
R
-
CG2
THR
A
522
L
H
HB3
LYS
V
137
R
-
OG1
THR
A
522
L
H
HB3
LYS
V
137
R
-
OG1
THR
A
526
L
H
HD2
LYS
V
163
R
-
O
PRO
A
599
L
-
HH12
ARG
V
218
R
-
O
PRO
A
599
L
-
HH22
ARG
V
218
R
-
N
ILE
A
601
L
-
HH22
ARG
V
218
R
-
CB
THR
A
603
L
-
HB2
TYR
V
217
R
-
CG2
THR
A
603
L
-
HB2
TYR
V
217
R
-
CG2
THR
A
603
L
-
HB3
TYR
V
217
R
-
OG1
THR
A
603
L
-
HB2
SER
V
216
R
-
ND2
ASN
A
605
L
-
OG
SER
V
215
R
-
OD1
ASN
A
605
L
-
HD2
TYR
V
217
R
-
C
LEU
A
668
L
-
HE1
MET
V
220
R
-
O
LEU
A
668
L
-
CE
MET
V
220
R
-
O
LEU
A
668
L
-
HE1
MET
V
220
R
-
O
LEU
A
668
L
-
HE3
MET
V
220
R
-
N
GLY
A
670
L
-
HE3
MET
V
220
R
-
C
GLY
A
670
L
-
HE3
MET
V
220
R
-
O
GLY
A
670
L
-
HG2
MET
V
220
R
-
O
GLY
A
670
L
-
HE3
MET
V
220
R
-
CE3
TRP
A
671
L
-
O
PRO
V
221
R
-
CE3
TRP
A
671
L
-
HA2
GLY
V
222
R
-
CH2
TRP
A
671
L
-
C
PRO
V
221
R
-
CH2
TRP
A
671
L
-
O
PRO
V
221
R
-
CH2
TRP
A
671
L
-
CA
GLY
V
222
R
-
CH2
TRP
A
671
L
-
HA2
GLY
V
222
R
-
CH2
TRP
A
671
L
-
HA3
GLY
V
222
R
-
CZ2
TRP
A
671
L
-
O
PRO
V
221
R
-
CZ2
TRP
A
671
L
-
HG3
PRO
V
221
R
-
CZ3
TRP
A
671
L
-
O
PRO
V
221
R
-
CZ3
TRP
A
671
L
-
CA
GLY
V
222
R
-
CZ3
TRP
A
671
L
-
HA2
GLY
V
222
R
-
CZ3
TRP
A
671
L
-
HA3
GLY
V
222