A1IGU5_Q86WN1.1
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
257
L
H
LYS
V
334
R
H
LEU
A
257
L
H
ARG
V
338
R
H
ALA
A
260
L
H
LYS
V
334
R
H
GLU
A
261
L
H
ARG
V
338
R
H
GLU
A
261
L
H
LEU
V
342
R
H
LEU
A
264
L
H
ARG
V
338
R
H
LEU
A
264
L
H
THR
V
426
R
H
LEU
A
264
L
H
LEU
V
427
R
H
LEU
A
264
L
H
ARG
V
429
R
H
LEU
A
264
L
H
ASP
V
430
R
H
HIS
A
268
L
H
THR
V
426
R
H
HIS
A
268
L
H
ARG
V
429
R
H
GLU
A
271
L
H
ARG
V
429
R
-
MET
A
622
L
-
LYS
V
95
R
-
LEU
A
623
L
-
LYS
V
95
R
-
SER
A
627
L
H
ARG
V
84
R
-
PRO
A
628
L
H
LYS
V
80
R
-
PRO
A
629
L
H
GLU
V
113
R
-
PRO
A
629
L
H
LYS
V
80
R
-
PRO
A
629
L
H
ARG
V
84
R
-
SER
A
630
L
H
ASP
V
77
R
-
SER
A
630
L
H
LYS
V
80
R
-
PHE
A
631
L
H
GLN
V
116
R
-
PHE
A
631
L
H
VAL
V
117
R
-
PHE
A
631
L
H
ASP
V
77
R
-
PHE
A
631
L
H
LYS
V
80
R
-
SER
A
632
L
-
ASN
V
74
R
-
SER
A
632
L
H
ASP
V
76
R
-
SER
A
632
L
H
ASP
V
77
R
-
ALA
A
635
L
H
ASP
V
69
R
-
THR
A
637
L
H
GLN
V
127
R
-
VAL
A
639
L
-
LYS
V
225
R
-
LEU
A
640
L
H
THR
V
224
R
-
LEU
A
640
L
-
LYS
V
225
R
-
LEU
A
640
L
-
VAL
V
226
R
-
LEU
A
640
L
-
GLU
V
227
R
-
ASP
A
641
L
-
LYS
V
225
R
-
ASP
A
641
L
-
VAL
V
226
R
-
ASP
A
641
L
-
GLU
V
227
R
-
ASP
A
641
L
-
GLN
V
228
R
-
GLY
A
642
L
-
VAL
V
226
R
-
GLY
A
642
L
-
GLN
V
228
R
-
GLY
A
642
L
H
LYS
V
352
R
-
GLY
A
642
L
H
LEU
V
355
R
-
PRO
A
643
L
-
VAL
V
226
R
-
PRO
A
643
L
-
GLN
V
228
R
-
PRO
A
643
L
H
LEU
V
355
R
-
PRO
A
644
L
H
LEU
V
355
R
-
ALA
A
645
L
H
LYS
V
287
R
-
PRO
A
646
L
H
ASN
V
288
R
-
VAL
A
647
L
H
ASP
V
295
R
-
LEU
A
648
L
H
ASN
V
288
R
-
LEU
A
648
L
H
ALA
V
292
R
-
LEU
A
648
L
H
ASP
V
295
R
-
PRO
A
649
L
H
ASP
V
295
R
-
GLY
A
650
L
H
ASP
V
295
R
-
GLY
A
650
L
H
ASN
V
296
R
-
GLY
A
650
L
H
ALA
V
299
R
-
ASP
A
651
L
H
ALA
V
299
R
-
LYS
A
652
L
H
ALA
V
299
R
-
LYS
A
652
L
H
PHE
V
300
R
-
ALA
A
653
L
H
ALA
V
299
R
-
ALA
A
653
L
H
PHE
V
300
R
-
ALA
A
653
L
-
PHE
V
303
R
-
LEU
A
654
L
H
PHE
V
300
R
-
LEU
A
654
L
-
PHE
V
303
R
-
ASP
A
655
L
-
PHE
V
303
R
-
ASP
A
655
L
H
PRO
V
305
R
-
PHE
A
656
L
H
PHE
V
300
R
-
PHE
A
656
L
-
PHE
V
303
R
-
PHE
A
656
L
H
PRO
V
305
R
-
PHE
A
656
L
H
TYR
V
320
R
-
PHE
A
656
L
H
ALA
V
324
R
-
PHE
A
656
L
H
HIS
V
328
R
-
PHE
A
656
L
H
PHE
V
332
R
-
PRO
A
657
L
H
TYR
V
320
R
-
GLY
A
658
L
H
TYR
V
320
R
-
PHE
A
659
L
H
PRO
V
316
R
-
PHE
A
659
L
H
TYR
V
320
R
-
PHE
A
659
L
-
LEU
V
446
R
-
LEU
A
660
L
H
PHE
V
456
R
-
ASP
A
661
L
H
MET
V
443
R
-
ASP
A
661
L
-
HIS
V
449
R
-
MET
A
662
L
H
LEU
V
436
R
-
MET
A
662
L
H
GLU
V
440
R
-
MET
A
662
L
H
MET
V
443
R
-
MET
A
663
L
-
HIS
V
449
R
-
ALA
A
664
L
H
LEU
V
436
R
-
ALA
A
664
L
H
GLU
V
440
R
-
ARG
A
666
L
H
GLU
V
440
R
-
ARG
A
666
L
H
GLY
V
441
R
-
ARG
A
666
L
H
ALA
V
444
A1IGU5_Q86WN1.1
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
CA
LEU
A
257
L
H
HE3
LYS
V
334
R
H
CB
LEU
A
257
L
H
HE3
LYS
V
334
R
H
CG
LEU
A
257
L
H
HE3
LYS
V
334
R
H
CG
LEU
A
257
L
H
HG2
ARG
V
338
R
H
CD1
LEU
A
257
L
H
CE
LYS
V
334
R
H
CD1
LEU
A
257
L
H
HG2
LYS
V
334
R
H
CD1
LEU
A
257
L
H
HG3
LYS
V
334
R
H
CD1
LEU
A
257
L
H
HE2
LYS
V
334
R
H
CD1
LEU
A
257
L
H
HE3
LYS
V
334
R
H
CD1
LEU
A
257
L
H
CG
ARG
V
338
R
H
CD1
LEU
A
257
L
H
CD
ARG
V
338
R
H
CD1
LEU
A
257
L
H
HG2
ARG
V
338
R
H
CD1
LEU
A
257
L
H
HG3
ARG
V
338
R
H
CD1
LEU
A
257
L
H
HD2
ARG
V
338
R
H
CD2
LEU
A
257
L
H
HG2
ARG
V
338
R
H
CD2
LEU
A
257
L
H
HG3
ARG
V
338
R
H
CB
ALA
A
260
L
H
HZ1
LYS
V
334
R
H
CA
GLU
A
261
L
H
HH21
ARG
V
338
R
H
CB
GLU
A
261
L
H
HD12
LEU
V
342
R
H
CG
GLU
A
261
L
H
HE
ARG
V
338
R
H
CG
GLU
A
261
L
H
HH21
ARG
V
338
R
H
CG
GLU
A
261
L
H
CD1
LEU
V
342
R
H
CG
GLU
A
261
L
H
HD12
LEU
V
342
R
H
CD
GLU
A
261
L
H
HG2
ARG
V
338
R
H
CD
GLU
A
261
L
H
HE
ARG
V
338
R
H
CD
GLU
A
261
L
H
CD1
LEU
V
342
R
H
CD
GLU
A
261
L
H
HD12
LEU
V
342
R
H
CD
GLU
A
261
L
H
HD22
LEU
V
342
R
H
OE1
GLU
A
261
L
H
CG
ARG
V
338
R
H
OE1
GLU
A
261
L
H
HA
ARG
V
338
R
H
OE1
GLU
A
261
L
H
HG2
ARG
V
338
R
H
OE1
GLU
A
261
L
H
HE
ARG
V
338
R
H
OE1
GLU
A
261
L
H
CG
LEU
V
342
R
H
OE1
GLU
A
261
L
H
CD1
LEU
V
342
R
H
OE1
GLU
A
261
L
H
CD2
LEU
V
342
R
H
OE1
GLU
A
261
L
H
HG
LEU
V
342
R
H
OE1
GLU
A
261
L
H
HD11
LEU
V
342
R
H
OE1
GLU
A
261
L
H
HD12
LEU
V
342
R
H
OE1
GLU
A
261
L
H
HD13
LEU
V
342
R
H
OE1
GLU
A
261
L
H
HD22
LEU
V
342
R
H
OE2
GLU
A
261
L
H
HD12
LEU
V
342
R
H
OE2
GLU
A
261
L
H
HD22
LEU
V
342
R
H
CB
LEU
A
264
L
H
HH22
ARG
V
338
R
H
CG
LEU
A
264
L
H
HH22
ARG
V
338
R
H
CG
LEU
A
264
L
H
CG2
THR
V
426
R
H
CG
LEU
A
264
L
H
HG21
THR
V
426
R
H
CG
LEU
A
264
L
H
HG22
THR
V
426
R
H
CG
LEU
A
264
L
H
HG23
THR
V
426
R
H
CG
LEU
A
264
L
H
HH21
ARG
V
429
R
H
CG
LEU
A
264
L
H
OD1
ASP
V
430
R
H
CG
LEU
A
264
L
H
OD2
ASP
V
430
R
H
CD1
LEU
A
264
L
H
CG2
THR
V
426
R
H
CD1
LEU
A
264
L
H
HG21
THR
V
426
R
H
CD1
LEU
A
264
L
H
HG22
THR
V
426
R
H
CD1
LEU
A
264
L
H
HG23
THR
V
426
R
H
CD1
LEU
A
264
L
H
NH2
ARG
V
429
R
H
CD1
LEU
A
264
L
H
HH21
ARG
V
429
R
H
CD1
LEU
A
264
L
H
HH22
ARG
V
429
R
H
CD1
LEU
A
264
L
H
CG
ASP
V
430
R
H
CD1
LEU
A
264
L
H
OD1
ASP
V
430
R
H
CD1
LEU
A
264
L
H
OD2
ASP
V
430
R
H
CD2
LEU
A
264
L
H
NH2
ARG
V
338
R
H
CD2
LEU
A
264
L
H
HH12
ARG
V
338
R
H
CD2
LEU
A
264
L
H
HH21
ARG
V
338
R
H
CD2
LEU
A
264
L
H
HH22
ARG
V
338
R
H
CD2
LEU
A
264
L
H
CG2
THR
V
426
R
H
CD2
LEU
A
264
L
H
HG21
THR
V
426
R
H
CD2
LEU
A
264
L
H
HG22
THR
V
426
R
H
CD2
LEU
A
264
L
H
HG23
THR
V
426
R
H
CD2
LEU
A
264
L
H
HD21
LEU
V
427
R
H
CD2
LEU
A
264
L
H
CG
ASP
V
430
R
H
CD2
LEU
A
264
L
H
OD1
ASP
V
430
R
H
CD2
LEU
A
264
L
H
OD2
ASP
V
430
R
H
CA
HIS
A
268
L
H
HH22
ARG
V
429
R
H
CB
HIS
A
268
L
H
HH22
ARG
V
429
R
H
CG
HIS
A
268
L
H
OG1
THR
V
426
R
H
CG
HIS
A
268
L
H
HG21
THR
V
426
R
H
CG
HIS
A
268
L
H
HG23
THR
V
426
R
H
CG
HIS
A
268
L
H
NH2
ARG
V
429
R
H
CG
HIS
A
268
L
H
HH12
ARG
V
429
R
H
CG
HIS
A
268
L
H
HH21
ARG
V
429
R
H
CG
HIS
A
268
L
H
HH22
ARG
V
429
R
H
CD2
HIS
A
268
L
H
CB
THR
V
426
R
H
CD2
HIS
A
268
L
H
CG2
THR
V
426
R
H
CD2
HIS
A
268
L
H
OG1
THR
V
426
R
H
CD2
HIS
A
268
L
H
HB
THR
V
426
R
H
CD2
HIS
A
268
L
H
HG1
THR
V
426
R
H
CD2
HIS
A
268
L
H
HG21
THR
V
426
R
H
CD2
HIS
A
268
L
H
HG22
THR
V
426
R
H
CD2
HIS
A
268
L
H
HG23
THR
V
426
R
H
CD2
HIS
A
268
L
H
NH2
ARG
V
429
R
H
CD2
HIS
A
268
L
H
HH21
ARG
V
429
R
H
CD2
HIS
A
268
L
H
HH22
ARG
V
429
R
H
ND1
HIS
A
268
L
H
OG1
THR
V
426
R
H
ND1
HIS
A
268
L
H
HG1
THR
V
426
R
H
ND1
HIS
A
268
L
H
HG23
THR
V
426
R
H
ND1
HIS
A
268
L
H
NH1
ARG
V
429
R
H
ND1
HIS
A
268
L
H
NH2
ARG
V
429
R
H
ND1
HIS
A
268
L
H
CZ
ARG
V
429
R
H
ND1
HIS
A
268
L
H
HH12
ARG
V
429
R
H
ND1
HIS
A
268
L
H
HH21
ARG
V
429
R
H
ND1
HIS
A
268
L
H
HH22
ARG
V
429
R
H
CE1
HIS
A
268
L
H
CA
THR
V
426
R
H
CE1
HIS
A
268
L
H
CB
THR
V
426
R
H
CE1
HIS
A
268
L
H
CG2
THR
V
426
R
H
CE1
HIS
A
268
L
H
OG1
THR
V
426
R
H
CE1
HIS
A
268
L
H
HA
THR
V
426
R
H
CE1
HIS
A
268
L
H
HG1
THR
V
426
R
H
CE1
HIS
A
268
L
H
HG21
THR
V
426
R
H
CE1
HIS
A
268
L
H
HG23
THR
V
426
R
H
CE1
HIS
A
268
L
H
NE
ARG
V
429
R
H
CE1
HIS
A
268
L
H
NH1
ARG
V
429
R
H
CE1
HIS
A
268
L
H
NH2
ARG
V
429
R
H
CE1
HIS
A
268
L
H
CZ
ARG
V
429
R
H
CE1
HIS
A
268
L
H
HE
ARG
V
429
R
H
CE1
HIS
A
268
L
H
HH11
ARG
V
429
R
H
CE1
HIS
A
268
L
H
HH12
ARG
V
429
R
H
CE1
HIS
A
268
L
H
HH21
ARG
V
429
R
H
CE1
HIS
A
268
L
H
HH22
ARG
V
429
R
H
NE2
HIS
A
268
L
H
CA
THR
V
426
R
H
NE2
HIS
A
268
L
H
CB
THR
V
426
R
H
NE2
HIS
A
268
L
H
CG2
THR
V
426
R
H
NE2
HIS
A
268
L
H
OG1
THR
V
426
R
H
NE2
HIS
A
268
L
H
HA
THR
V
426
R
H
NE2
HIS
A
268
L
H
HB
THR
V
426
R
H
NE2
HIS
A
268
L
H
HG1
THR
V
426
R
H
NE2
HIS
A
268
L
H
HG21
THR
V
426
R
H
NE2
HIS
A
268
L
H
HG22
THR
V
426
R
H
NE2
HIS
A
268
L
H
HG23
THR
V
426
R
H
NE2
HIS
A
268
L
H
NH2
ARG
V
429
R
H
NE2
HIS
A
268
L
H
CZ
ARG
V
429
R
H
NE2
HIS
A
268
L
H
HH12
ARG
V
429
R
H
NE2
HIS
A
268
L
H
HH21
ARG
V
429
R
H
NE2
HIS
A
268
L
H
HH22
ARG
V
429
R
H
CD
GLU
A
271
L
H
NH1
ARG
V
429
R
H
CD
GLU
A
271
L
H
HH11
ARG
V
429
R
H
CD
GLU
A
271
L
H
HH12
ARG
V
429
R
H
OE1
GLU
A
271
L
H
HH11
ARG
V
429
R
H
OE1
GLU
A
271
L
H
HH12
ARG
V
429
R
H
OE2
GLU
A
271
L
H
NH1
ARG
V
429
R
H
OE2
GLU
A
271
L
H
HH11
ARG
V
429
R
H
OE2
GLU
A
271
L
H
HH12
ARG
V
429
R
-
CE
MET
A
622
L
-
HE2
LYS
V
95
R
-
CE
MET
A
622
L
-
HZ1
LYS
V
95
R
-
CG
LEU
A
623
L
-
HZ1
LYS
V
95
R
-
CD1
LEU
A
623
L
-
NZ
LYS
V
95
R
-
CD1
LEU
A
623
L
-
HZ1
LYS
V
95
R
-
CD1
LEU
A
623
L
-
HZ2
LYS
V
95
R
-
CD1
LEU
A
623
L
-
HZ3
LYS
V
95
R
-
N
SER
A
627
L
H
HH11
ARG
V
84
R
-
CA
SER
A
627
L
H
HD3
ARG
V
84
R
-
C
SER
A
627
L
H
HH11
ARG
V
84
R
-
CB
SER
A
627
L
H
CD
ARG
V
84
R
-
CB
SER
A
627
L
H
HD2
ARG
V
84
R
-
CB
SER
A
627
L
H
HD3
ARG
V
84
R
-
O
SER
A
627
L
H
NH1
ARG
V
84
R
-
O
SER
A
627
L
H
CZ
ARG
V
84
R
-
O
SER
A
627
L
H
HD3
ARG
V
84
R
-
O
SER
A
627
L
H
HH11
ARG
V
84
R
-
O
SER
A
627
L
H
HH12
ARG
V
84
R
-
OG
SER
A
627
L
H
HD3
ARG
V
84
R
-
C
PRO
A
628
L
H
NZ
LYS
V
80
R
-
C
PRO
A
628
L
H
HE2
LYS
V
80
R
-
C
PRO
A
628
L
H
HZ1
LYS
V
80
R
-
C
PRO
A
628
L
H
HZ3
LYS
V
80
R
-
O
PRO
A
628
L
H
CE
LYS
V
80
R
-
O
PRO
A
628
L
H
NZ
LYS
V
80
R
-
O
PRO
A
628
L
H
HE2
LYS
V
80
R
-
O
PRO
A
628
L
H
HE3
LYS
V
80
R
-
O
PRO
A
628
L
H
HZ1
LYS
V
80
R
-
O
PRO
A
628
L
H
HZ3
LYS
V
80
R
-
CG
PRO
A
628
L
H
HZ1
LYS
V
80
R
-
N
PRO
A
629
L
H
HE2
LYS
V
80
R
-
N
PRO
A
629
L
H
HZ1
LYS
V
80
R
-
N
PRO
A
629
L
H
HZ3
LYS
V
80
R
-
CA
PRO
A
629
L
H
NZ
LYS
V
80
R
-
CA
PRO
A
629
L
H
HE2
LYS
V
80
R
-
CA
PRO
A
629
L
H
HZ1
LYS
V
80
R
-
CA
PRO
A
629
L
H
HZ3
LYS
V
80
R
-
CA
PRO
A
629
L
H
NH2
ARG
V
84
R
-
CA
PRO
A
629
L
H
HH21
ARG
V
84
R
-
CA
PRO
A
629
L
H
HH22
ARG
V
84
R
-
C
PRO
A
629
L
H
CD
LYS
V
80
R
-
C
PRO
A
629
L
H
CE
LYS
V
80
R
-
C
PRO
A
629
L
H
NZ
LYS
V
80
R
-
C
PRO
A
629
L
H
HD3
LYS
V
80
R
-
C
PRO
A
629
L
H
HE2
LYS
V
80
R
-
C
PRO
A
629
L
H
HZ1
LYS
V
80
R
-
C
PRO
A
629
L
H
HZ2
LYS
V
80
R
-
C
PRO
A
629
L
H
HZ3
LYS
V
80
R
-
CB
PRO
A
629
L
H
HH22
ARG
V
84
R
-
CB
PRO
A
629
L
H
OE2
GLU
V
113
R
-
O
PRO
A
629
L
H
NZ
LYS
V
80
R
-
O
PRO
A
629
L
H
HE2
LYS
V
80
R
-
O
PRO
A
629
L
H
HZ1
LYS
V
80
R
-
O
PRO
A
629
L
H
HZ2
LYS
V
80
R
-
O
PRO
A
629
L
H
HZ3
LYS
V
80
R
-
N
SER
A
630
L
H
CG
LYS
V
80
R
-
N
SER
A
630
L
H
CD
LYS
V
80
R
-
N
SER
A
630
L
H
CE
LYS
V
80
R
-
N
SER
A
630
L
H
NZ
LYS
V
80
R
-
N
SER
A
630
L
H
HG2
LYS
V
80
R
-
N
SER
A
630
L
H
HD2
LYS
V
80
R
-
N
SER
A
630
L
H
HD3
LYS
V
80
R
-
N
SER
A
630
L
H
HE2
LYS
V
80
R
-
N
SER
A
630
L
H
HE3
LYS
V
80
R
-
N
SER
A
630
L
H
HZ1
LYS
V
80
R
-
N
SER
A
630
L
H
HZ2
LYS
V
80
R
-
N
SER
A
630
L
H
HZ3
LYS
V
80
R
-
CA
SER
A
630
L
H
OD1
ASP
V
77
R
-
CA
SER
A
630
L
H
CG
LYS
V
80
R
-
CA
SER
A
630
L
H
CD
LYS
V
80
R
-
CA
SER
A
630
L
H
CE
LYS
V
80
R
-
CA
SER
A
630
L
H
NZ
LYS
V
80
R
-
CA
SER
A
630
L
H
HB3
LYS
V
80
R
-
CA
SER
A
630
L
H
HD2
LYS
V
80
R
-
CA
SER
A
630
L
H
HD3
LYS
V
80
R
-
CA
SER
A
630
L
H
HE2
LYS
V
80
R
-
CA
SER
A
630
L
H
HE3
LYS
V
80
R
-
CA
SER
A
630
L
H
HZ1
LYS
V
80
R
-
CA
SER
A
630
L
H
HZ2
LYS
V
80
R
-
CA
SER
A
630
L
H
HZ3
LYS
V
80
R
-
C
SER
A
630
L
H
CG
ASP
V
77
R
-
C
SER
A
630
L
H
OD1
ASP
V
77
R
-
C
SER
A
630
L
H
HA
ASP
V
77
R
-
C
SER
A
630
L
H
HB3
ASP
V
77
R
-
C
SER
A
630
L
H
CD
LYS
V
80
R
-
C
SER
A
630
L
H
NZ
LYS
V
80
R
-
C
SER
A
630
L
H
HD2
LYS
V
80
R
-
C
SER
A
630
L
H
HD3
LYS
V
80
R
-
C
SER
A
630
L
H
HZ2
LYS
V
80
R
-
C
SER
A
630
L
H
HZ3
LYS
V
80
R
-
CB
SER
A
630
L
H
OD1
ASP
V
77
R
-
CB
SER
A
630
L
H
HA
ASP
V
77
R
-
CB
SER
A
630
L
H
CB
LYS
V
80
R
-
CB
SER
A
630
L
H
CG
LYS
V
80
R
-
CB
SER
A
630
L
H
CD
LYS
V
80
R
-
CB
SER
A
630
L
H
CE
LYS
V
80
R
-
CB
SER
A
630
L
H
NZ
LYS
V
80
R
-
CB
SER
A
630
L
H
HB2
LYS
V
80
R
-
CB
SER
A
630
L
H
HB3
LYS
V
80
R
-
CB
SER
A
630
L
H
HG2
LYS
V
80
R
-
CB
SER
A
630
L
H
HG3
LYS
V
80
R
-
CB
SER
A
630
L
H
HD2
LYS
V
80
R
-
CB
SER
A
630
L
H
HD3
LYS
V
80
R
-
CB
SER
A
630
L
H
HE2
LYS
V
80
R
-
CB
SER
A
630
L
H
HE3
LYS
V
80
R
-
CB
SER
A
630
L
H
HZ1
LYS
V
80
R
-
CB
SER
A
630
L
H
HZ2
LYS
V
80
R
-
CB
SER
A
630
L
H
HZ3
LYS
V
80
R
-
O
SER
A
630
L
H
CA
ASP
V
77
R
-
O
SER
A
630
L
H
CB
ASP
V
77
R
-
O
SER
A
630
L
H
CG
ASP
V
77
R
-
O
SER
A
630
L
H
OD1
ASP
V
77
R
-
O
SER
A
630
L
H
HA
ASP
V
77
R
-
O
SER
A
630
L
H
HB3
ASP
V
77
R
-
O
SER
A
630
L
H
CD
LYS
V
80
R
-
O
SER
A
630
L
H
HB3
LYS
V
80
R
-
O
SER
A
630
L
H
HD3
LYS
V
80
R
-
O
SER
A
630
L
H
HZ3
LYS
V
80
R
-
OG
SER
A
630
L
H
OD1
ASP
V
77
R
-
OG
SER
A
630
L
H
HA
ASP
V
77
R
-
OG
SER
A
630
L
H
CB
LYS
V
80
R
-
OG
SER
A
630
L
H
CG
LYS
V
80
R
-
OG
SER
A
630
L
H
CD
LYS
V
80
R
-
OG
SER
A
630
L
H
CE
LYS
V
80
R
-
OG
SER
A
630
L
H
NZ
LYS
V
80
R
-
OG
SER
A
630
L
H
HB2
LYS
V
80
R
-
OG
SER
A
630
L
H
HB3
LYS
V
80
R
-
OG
SER
A
630
L
H
HD2
LYS
V
80
R
-
OG
SER
A
630
L
H
HD3
LYS
V
80
R
-
OG
SER
A
630
L
H
HZ2
LYS
V
80
R
-
OG
SER
A
630
L
H
HZ3
LYS
V
80
R
-
N
PHE
A
631
L
H
CG
ASP
V
77
R
-
N
PHE
A
631
L
H
OD1
ASP
V
77
R
-
N
PHE
A
631
L
H
HD3
LYS
V
80
R
-
N
PHE
A
631
L
H
HZ3
LYS
V
80
R
-
CA
PHE
A
631
L
H
CG
ASP
V
77
R
-
CA
PHE
A
631
L
H
OD1
ASP
V
77
R
-
CA
PHE
A
631
L
H
OD2
ASP
V
77
R
-
C
PHE
A
631
L
H
CG
ASP
V
77
R
-
C
PHE
A
631
L
H
OD1
ASP
V
77
R
-
C
PHE
A
631
L
H
OD2
ASP
V
77
R
-
O
PHE
A
631
L
H
OD1
ASP
V
77
R
-
CE1
PHE
A
631
L
H
HB2
GLN
V
116
R
-
CE1
PHE
A
631
L
H
HG11
VAL
V
117
R
-
CE2
PHE
A
631
L
H
HB2
GLN
V
116
R
-
CZ
PHE
A
631
L
H
CB
GLN
V
116
R
-
CZ
PHE
A
631
L
H
HB2
GLN
V
116
R
-
CZ
PHE
A
631
L
H
HB3
GLN
V
116
R
-
CZ
PHE
A
631
L
H
HG3
GLN
V
116
R
-
CZ
PHE
A
631
L
H
HG11
VAL
V
117
R
-
CZ
PHE
A
631
L
H
HG13
VAL
V
117
R
-
N
SER
A
632
L
H
CB
ASP
V
77
R
-
N
SER
A
632
L
H
CG
ASP
V
77
R
-
N
SER
A
632
L
H
OD1
ASP
V
77
R
-
N
SER
A
632
L
H
OD2
ASP
V
77
R
-
CA
SER
A
632
L
H
CG
ASP
V
77
R
-
CA
SER
A
632
L
H
OD1
ASP
V
77
R
-
CA
SER
A
632
L
H
OD2
ASP
V
77
R
-
C
SER
A
632
L
H
OD2
ASP
V
77
R
-
CB
SER
A
632
L
-
HA
ASN
V
74
R
-
CB
SER
A
632
L
-
HB3
ASN
V
74
R
-
CB
SER
A
632
L
H
HB2
ASP
V
76
R
-
CB
SER
A
632
L
H
CG
ASP
V
77
R
-
CB
SER
A
632
L
H
OD1
ASP
V
77
R
-
CB
SER
A
632
L
H
OD2
ASP
V
77
R
-
CB
SER
A
632
L
H
H
ASP
V
77
R
-
O
SER
A
632
L
-
HB3
ASN
V
74
R
-
O
SER
A
632
L
H
CG
ASP
V
77
R
-
O
SER
A
632
L
H
OD2
ASP
V
77
R
-
OG
SER
A
632
L
H
C
ASP
V
76
R
-
OG
SER
A
632
L
H
CB
ASP
V
76
R
-
OG
SER
A
632
L
H
HB2
ASP
V
76
R
-
OG
SER
A
632
L
H
HB3
ASP
V
76
R
-
OG
SER
A
632
L
H
N
ASP
V
77
R
-
OG
SER
A
632
L
H
CG
ASP
V
77
R
-
OG
SER
A
632
L
H
OD1
ASP
V
77
R
-
OG
SER
A
632
L
H
OD2
ASP
V
77
R
-
OG
SER
A
632
L
H
H
ASP
V
77
R
-
N
ALA
A
635
L
H
HB3
ASP
V
69
R
-
CA
ALA
A
635
L
H
HB3
ASP
V
69
R
-
CB
ALA
A
635
L
H
CB
ASP
V
69
R
-
CB
ALA
A
635
L
H
CG
ASP
V
69
R
-
CB
ALA
A
635
L
H
OD2
ASP
V
69
R
-
CB
ALA
A
635
L
H
HB2
ASP
V
69
R
-
CB
ALA
A
635
L
H
HB3
ASP
V
69
R
-
CG2
THR
A
637
L
H
OE1
GLN
V
127
R
-
O
VAL
A
639
L
-
HG2
LYS
V
225
R
-
O
VAL
A
639
L
-
HE3
LYS
V
225
R
-
CA
LEU
A
640
L
-
HA
LYS
V
225
R
-
C
LEU
A
640
L
-
HA
LYS
V
225
R
-
C
LEU
A
640
L
-
H
VAL
V
226
R
-
CB
LEU
A
640
L
-
HA
LYS
V
225
R
-
CB
LEU
A
640
L
-
HB3
LYS
V
225
R
-
CB
LEU
A
640
L
-
HG2
LYS
V
225
R
-
O
LEU
A
640
L
H
O
THR
V
224
R
-
O
LEU
A
640
L
H
HG23
THR
V
224
R
-
O
LEU
A
640
L
-
CA
LYS
V
225
R
-
O
LEU
A
640
L
-
HA
LYS
V
225
R
-
O
LEU
A
640
L
-
HG2
LYS
V
225
R
-
O
LEU
A
640
L
-
H
VAL
V
226
R
-
CG
LEU
A
640
L
-
HA
GLU
V
227
R
-
CG
LEU
A
640
L
-
HG2
GLU
V
227
R
-
CD2
LEU
A
640
L
-
HB3
LYS
V
225
R
-
CD2
LEU
A
640
L
-
N
GLU
V
227
R
-
CD2
LEU
A
640
L
-
CA
GLU
V
227
R
-
CD2
LEU
A
640
L
-
CB
GLU
V
227
R
-
CD2
LEU
A
640
L
-
CG
GLU
V
227
R
-
CD2
LEU
A
640
L
-
HA
GLU
V
227
R
-
CD2
LEU
A
640
L
-
HG2
GLU
V
227
R
-
CD2
LEU
A
640
L
-
HG3
GLU
V
227
R
-
N
ASP
A
641
L
-
HA
LYS
V
225
R
-
N
ASP
A
641
L
-
N
VAL
V
226
R
-
N
ASP
A
641
L
-
CA
VAL
V
226
R
-
N
ASP
A
641
L
-
C
VAL
V
226
R
-
N
ASP
A
641
L
-
CB
VAL
V
226
R
-
N
ASP
A
641
L
-
O
VAL
V
226
R
-
N
ASP
A
641
L
-
H
VAL
V
226
R
-
N
ASP
A
641
L
-
HB
VAL
V
226
R
-
CA
ASP
A
641
L
-
CA
VAL
V
226
R
-
CA
ASP
A
641
L
-
C
VAL
V
226
R
-
CA
ASP
A
641
L
-
CB
VAL
V
226
R
-
CA
ASP
A
641
L
-
O
VAL
V
226
R
-
CA
ASP
A
641
L
-
H
VAL
V
226
R
-
CA
ASP
A
641
L
-
HB
VAL
V
226
R
-
C
ASP
A
641
L
-
CA
VAL
V
226
R
-
C
ASP
A
641
L
-
C
VAL
V
226
R
-
C
ASP
A
641
L
-
CB
VAL
V
226
R
-
C
ASP
A
641
L
-
O
VAL
V
226
R
-
C
ASP
A
641
L
-
CG1
VAL
V
226
R
-
C
ASP
A
641
L
-
CG2
VAL
V
226
R
-
C
ASP
A
641
L
-
H
VAL
V
226
R
-
C
ASP
A
641
L
-
HB
VAL
V
226
R
-
C
ASP
A
641
L
-
HG11
VAL
V
226
R
-
C
ASP
A
641
L
-
HG12
VAL
V
226
R
-
C
ASP
A
641
L
-
HG21
VAL
V
226
R
-
C
ASP
A
641
L
-
HG23
VAL
V
226
R
-
CB
ASP
A
641
L
-
N
VAL
V
226
R
-
CB
ASP
A
641
L
-
CA
VAL
V
226
R
-
CB
ASP
A
641
L
-
C
VAL
V
226
R
-
CB
ASP
A
641
L
-
CB
VAL
V
226
R
-
CB
ASP
A
641
L
-
O
VAL
V
226
R
-
CB
ASP
A
641
L
-
H
VAL
V
226
R
-
CB
ASP
A
641
L
-
HB
VAL
V
226
R
-
CB
ASP
A
641
L
-
N
GLU
V
227
R
-
CB
ASP
A
641
L
-
CA
GLU
V
227
R
-
CB
ASP
A
641
L
-
HA
GLU
V
227
R
-
CB
ASP
A
641
L
-
H
GLN
V
228
R
-
CB
ASP
A
641
L
-
HG3
GLN
V
228
R
-
O
ASP
A
641
L
-
N
VAL
V
226
R
-
O
ASP
A
641
L
-
CA
VAL
V
226
R
-
O
ASP
A
641
L
-
C
VAL
V
226
R
-
O
ASP
A
641
L
-
CB
VAL
V
226
R
-
O
ASP
A
641
L
-
O
VAL
V
226
R
-
O
ASP
A
641
L
-
CG1
VAL
V
226
R
-
O
ASP
A
641
L
-
CG2
VAL
V
226
R
-
O
ASP
A
641
L
-
H
VAL
V
226
R
-
O
ASP
A
641
L
-
HA
VAL
V
226
R
-
O
ASP
A
641
L
-
HB
VAL
V
226
R
-
O
ASP
A
641
L
-
HG11
VAL
V
226
R
-
O
ASP
A
641
L
-
HG12
VAL
V
226
R
-
O
ASP
A
641
L
-
HG13
VAL
V
226
R
-
O
ASP
A
641
L
-
HG21
VAL
V
226
R
-
O
ASP
A
641
L
-
HG22
VAL
V
226
R
-
O
ASP
A
641
L
-
HG23
VAL
V
226
R
-
CG
ASP
A
641
L
-
C
VAL
V
226
R
-
CG
ASP
A
641
L
-
O
VAL
V
226
R
-
CG
ASP
A
641
L
-
HA
GLU
V
227
R
-
CG
ASP
A
641
L
-
N
GLN
V
228
R
-
CG
ASP
A
641
L
-
CG
GLN
V
228
R
-
CG
ASP
A
641
L
-
H
GLN
V
228
R
-
CG
ASP
A
641
L
-
HB2
GLN
V
228
R
-
CG
ASP
A
641
L
-
HG3
GLN
V
228
R
-
OD1
ASP
A
641
L
-
O
VAL
V
226
R
-
OD1
ASP
A
641
L
-
CG
GLN
V
228
R
-
OD1
ASP
A
641
L
-
CD
GLN
V
228
R
-
OD1
ASP
A
641
L
-
NE2
GLN
V
228
R
-
OD1
ASP
A
641
L
-
H
GLN
V
228
R
-
OD1
ASP
A
641
L
-
HB2
GLN
V
228
R
-
OD1
ASP
A
641
L
-
HG3
GLN
V
228
R
-
OD1
ASP
A
641
L
-
HE21
GLN
V
228
R
-
OD2
ASP
A
641
L
-
C
VAL
V
226
R
-
OD2
ASP
A
641
L
-
O
VAL
V
226
R
-
OD2
ASP
A
641
L
-
CA
GLU
V
227
R
-
OD2
ASP
A
641
L
-
C
GLU
V
227
R
-
OD2
ASP
A
641
L
-
HA
GLU
V
227
R
-
OD2
ASP
A
641
L
-
N
GLN
V
228
R
-
OD2
ASP
A
641
L
-
CB
GLN
V
228
R
-
OD2
ASP
A
641
L
-
CG
GLN
V
228
R
-
OD2
ASP
A
641
L
-
H
GLN
V
228
R
-
OD2
ASP
A
641
L
-
HB2
GLN
V
228
R
-
OD2
ASP
A
641
L
-
HG3
GLN
V
228
R
-
N
GLY
A
642
L
-
CB
VAL
V
226
R
-
N
GLY
A
642
L
-
O
VAL
V
226
R
-
N
GLY
A
642
L
-
CG1
VAL
V
226
R
-
N
GLY
A
642
L
-
HB
VAL
V
226
R
-
N
GLY
A
642
L
-
HG11
VAL
V
226
R
-
N
GLY
A
642
L
-
HG12
VAL
V
226
R
-
N
GLY
A
642
L
-
HG3
GLN
V
228
R
-
N
GLY
A
642
L
-
HE21
GLN
V
228
R
-
N
GLY
A
642
L
H
CD1
LEU
V
355
R
-
N
GLY
A
642
L
H
HD11
LEU
V
355
R
-
N
GLY
A
642
L
H
HD12
LEU
V
355
R
-
CA
GLY
A
642
L
-
CB
VAL
V
226
R
-
CA
GLY
A
642
L
-
CG1
VAL
V
226
R
-
CA
GLY
A
642
L
-
HB
VAL
V
226
R
-
CA
GLY
A
642
L
-
HG11
VAL
V
226
R
-
CA
GLY
A
642
L
-
HG12
VAL
V
226
R
-
CA
GLY
A
642
L
-
HG23
VAL
V
226
R
-
CA
GLY
A
642
L
-
NE2
GLN
V
228
R
-
CA
GLY
A
642
L
-
HG2
GLN
V
228
R
-
CA
GLY
A
642
L
-
HG3
GLN
V
228
R
-
CA
GLY
A
642
L
-
HE21
GLN
V
228
R
-
CA
GLY
A
642
L
H
CD1
LEU
V
355
R
-
CA
GLY
A
642
L
H
HD11
LEU
V
355
R
-
CA
GLY
A
642
L
H
HD12
LEU
V
355
R
-
CA
GLY
A
642
L
H
HD13
LEU
V
355
R
-
C
GLY
A
642
L
-
HB
VAL
V
226
R
-
C
GLY
A
642
L
-
HG12
VAL
V
226
R
-
C
GLY
A
642
L
-
HG23
VAL
V
226
R
-
C
GLY
A
642
L
-
HE21
GLN
V
228
R
-
C
GLY
A
642
L
H
CB
LEU
V
355
R
-
C
GLY
A
642
L
H
CG
LEU
V
355
R
-
C
GLY
A
642
L
H
CD1
LEU
V
355
R
-
C
GLY
A
642
L
H
CD2
LEU
V
355
R
-
C
GLY
A
642
L
H
HB2
LEU
V
355
R
-
C
GLY
A
642
L
H
HB3
LEU
V
355
R
-
C
GLY
A
642
L
H
HG
LEU
V
355
R
-
C
GLY
A
642
L
H
HD11
LEU
V
355
R
-
C
GLY
A
642
L
H
HD12
LEU
V
355
R
-
C
GLY
A
642
L
H
HD13
LEU
V
355
R
-
C
GLY
A
642
L
H
HD22
LEU
V
355
R
-
C
GLY
A
642
L
H
HD23
LEU
V
355
R
-
O
GLY
A
642
L
-
HG12
VAL
V
226
R
-
O
GLY
A
642
L
-
HG23
VAL
V
226
R
-
O
GLY
A
642
L
H
O
LYS
V
352
R
-
O
GLY
A
642
L
H
HA
LYS
V
352
R
-
O
GLY
A
642
L
H
CB
LEU
V
355
R
-
O
GLY
A
642
L
H
CG
LEU
V
355
R
-
O
GLY
A
642
L
H
CD1
LEU
V
355
R
-
O
GLY
A
642
L
H
CD2
LEU
V
355
R
-
O
GLY
A
642
L
H
HB2
LEU
V
355
R
-
O
GLY
A
642
L
H
HB3
LEU
V
355
R
-
O
GLY
A
642
L
H
HG
LEU
V
355
R
-
O
GLY
A
642
L
H
HD11
LEU
V
355
R
-
O
GLY
A
642
L
H
HD12
LEU
V
355
R
-
O
GLY
A
642
L
H
HD13
LEU
V
355
R
-
O
GLY
A
642
L
H
HD22
LEU
V
355
R
-
O
GLY
A
642
L
H
HD23
LEU
V
355
R
-
N
PRO
A
643
L
-
HG12
VAL
V
226
R
-
N
PRO
A
643
L
-
HE21
GLN
V
228
R
-
N
PRO
A
643
L
H
CG
LEU
V
355
R
-
N
PRO
A
643
L
H
CD1
LEU
V
355
R
-
N
PRO
A
643
L
H
CD2
LEU
V
355
R
-
N
PRO
A
643
L
H
HG
LEU
V
355
R
-
N
PRO
A
643
L
H
HD11
LEU
V
355
R
-
N
PRO
A
643
L
H
HD12
LEU
V
355
R
-
N
PRO
A
643
L
H
HD13
LEU
V
355
R
-
N
PRO
A
643
L
H
HD22
LEU
V
355
R
-
N
PRO
A
643
L
H
HD23
LEU
V
355
R
-
CA
PRO
A
643
L
-
HE21
GLN
V
228
R
-
CA
PRO
A
643
L
H
CD1
LEU
V
355
R
-
CA
PRO
A
643
L
H
HD11
LEU
V
355
R
-
CA
PRO
A
643
L
H
HD12
LEU
V
355
R
-
CA
PRO
A
643
L
H
HD13
LEU
V
355
R
-
CA
PRO
A
643
L
H
HD22
LEU
V
355
R
-
C
PRO
A
643
L
H
CD1
LEU
V
355
R
-
C
PRO
A
643
L
H
HD12
LEU
V
355
R
-
C
PRO
A
643
L
H
HD13
LEU
V
355
R
-
C
PRO
A
643
L
H
HD22
LEU
V
355
R
-
CB
PRO
A
643
L
-
HE21
GLN
V
228
R
-
CB
PRO
A
643
L
H
HD12
LEU
V
355
R
-
CB
PRO
A
643
L
H
HD13
LEU
V
355
R
-
O
PRO
A
643
L
H
CG
LEU
V
355
R
-
O
PRO
A
643
L
H
CD1
LEU
V
355
R
-
O
PRO
A
643
L
H
CD2
LEU
V
355
R
-
O
PRO
A
643
L
H
HG
LEU
V
355
R
-
O
PRO
A
643
L
H
HD12
LEU
V
355
R
-
O
PRO
A
643
L
H
HD13
LEU
V
355
R
-
O
PRO
A
643
L
H
HD22
LEU
V
355
R
-
CG
PRO
A
643
L
H
CD1
LEU
V
355
R
-
CG
PRO
A
643
L
H
HD12
LEU
V
355
R
-
CG
PRO
A
643
L
H
HD13
LEU
V
355
R
-
CG
PRO
A
643
L
H
HD22
LEU
V
355
R
-
CG
PRO
A
643
L
H
HD23
LEU
V
355
R
-
CD
PRO
A
643
L
-
HG12
VAL
V
226
R
-
CD
PRO
A
643
L
H
CG
LEU
V
355
R
-
CD
PRO
A
643
L
H
CD1
LEU
V
355
R
-
CD
PRO
A
643
L
H
CD2
LEU
V
355
R
-
CD
PRO
A
643
L
H
HB3
LEU
V
355
R
-
CD
PRO
A
643
L
H
HD11
LEU
V
355
R
-
CD
PRO
A
643
L
H
HD12
LEU
V
355
R
-
CD
PRO
A
643
L
H
HD13
LEU
V
355
R
-
CD
PRO
A
643
L
H
HD21
LEU
V
355
R
-
CD
PRO
A
643
L
H
HD22
LEU
V
355
R
-
CD
PRO
A
643
L
H
HD23
LEU
V
355
R
-
N
PRO
A
644
L
H
HD13
LEU
V
355
R
-
N
ALA
A
645
L
H
NZ
LYS
V
287
R
-
N
ALA
A
645
L
H
HZ1
LYS
V
287
R
-
N
ALA
A
645
L
H
HZ3
LYS
V
287
R
-
CA
ALA
A
645
L
H
NZ
LYS
V
287
R
-
CA
ALA
A
645
L
H
HZ1
LYS
V
287
R
-
CA
ALA
A
645
L
H
HZ2
LYS
V
287
R
-
CA
ALA
A
645
L
H
HZ3
LYS
V
287
R
-
C
ALA
A
645
L
H
HZ1
LYS
V
287
R
-
C
ALA
A
645
L
H
HZ3
LYS
V
287
R
-
CB
ALA
A
645
L
H
HZ1
LYS
V
287
R
-
C
PRO
A
646
L
H
OD1
ASN
V
288
R
-
O
PRO
A
646
L
H
CG
ASN
V
288
R
-
O
PRO
A
646
L
H
ND2
ASN
V
288
R
-
O
PRO
A
646
L
H
OD1
ASN
V
288
R
-
O
PRO
A
646
L
H
HA
ASN
V
288
R
-
O
PRO
A
646
L
H
HD22
ASN
V
288
R
-
CD
PRO
A
646
L
H
HD22
ASN
V
288
R
-
CG1
VAL
A
647
L
H
OD2
ASP
V
295
R
-
C
LEU
A
648
L
H
HA
ALA
V
292
R
-
C
LEU
A
648
L
H
HB3
ALA
V
292
R
-
C
LEU
A
648
L
H
OD2
ASP
V
295
R
-
CB
LEU
A
648
L
H
HB3
ALA
V
292
R
-
O
LEU
A
648
L
H
CA
ALA
V
292
R
-
O
LEU
A
648
L
H
HA
ALA
V
292
R
-
O
LEU
A
648
L
H
HB3
ALA
V
292
R
-
O
LEU
A
648
L
H
CG
ASP
V
295
R
-
O
LEU
A
648
L
H
OD2
ASP
V
295
R
-
O
LEU
A
648
L
H
HB2
ASP
V
295
R
-
CD1
LEU
A
648
L
H
HB3
ASN
V
288
R
-
CA
PRO
A
649
L
H
OD2
ASP
V
295
R
-
N
GLY
A
650
L
H
HB3
ASP
V
295
R
-
C
GLY
A
650
L
H
HB3
ASP
V
295
R
-
C
GLY
A
650
L
H
OD1
ASN
V
296
R
-
C
GLY
A
650
L
H
HB3
ALA
V
299
R
-
O
GLY
A
650
L
H
CA
ASN
V
296
R
-
O
GLY
A
650
L
H
CG
ASN
V
296
R
-
O
GLY
A
650
L
H
OD1
ASN
V
296
R
-
O
GLY
A
650
L
H
HA
ASN
V
296
R
-
O
GLY
A
650
L
H
HB3
ALA
V
299
R
-
N
ASP
A
651
L
H
HB3
ALA
V
299
R
-
CA
ASP
A
651
L
H
CB
ALA
V
299
R
-
CA
ASP
A
651
L
H
HB1
ALA
V
299
R
-
CA
ASP
A
651
L
H
HB2
ALA
V
299
R
-
CA
ASP
A
651
L
H
HB3
ALA
V
299
R
-
C
ASP
A
651
L
H
CB
ALA
V
299
R
-
C
ASP
A
651
L
H
HB1
ALA
V
299
R
-
C
ASP
A
651
L
H
HB2
ALA
V
299
R
-
C
ASP
A
651
L
H
HB3
ALA
V
299
R
-
CB
ASP
A
651
L
H
CB
ALA
V
299
R
-
CB
ASP
A
651
L
H
HB1
ALA
V
299
R
-
CB
ASP
A
651
L
H
HB3
ALA
V
299
R
-
CG
ASP
A
651
L
H
CB
ALA
V
299
R
-
CG
ASP
A
651
L
H
HA
ALA
V
299
R
-
CG
ASP
A
651
L
H
HB1
ALA
V
299
R
-
CG
ASP
A
651
L
H
HB3
ALA
V
299
R
-
OD1
ASP
A
651
L
H
N
ALA
V
299
R
-
OD1
ASP
A
651
L
H
CA
ALA
V
299
R
-
OD1
ASP
A
651
L
H
CB
ALA
V
299
R
-
OD1
ASP
A
651
L
H
H
ALA
V
299
R
-
OD1
ASP
A
651
L
H
HA
ALA
V
299
R
-
OD1
ASP
A
651
L
H
HB1
ALA
V
299
R
-
OD1
ASP
A
651
L
H
HB2
ALA
V
299
R
-
OD1
ASP
A
651
L
H
HB3
ALA
V
299
R
-
N
LYS
A
652
L
H
CB
ALA
V
299
R
-
N
LYS
A
652
L
H
HB1
ALA
V
299
R
-
N
LYS
A
652
L
H
HB2
ALA
V
299
R
-
N
LYS
A
652
L
H
HB3
ALA
V
299
R
-
CA
LYS
A
652
L
H
CB
ALA
V
299
R
-
CA
LYS
A
652
L
H
HB1
ALA
V
299
R
-
CA
LYS
A
652
L
H
HB2
ALA
V
299
R
-
C
LYS
A
652
L
H
CB
ALA
V
299
R
-
C
LYS
A
652
L
H
HB1
ALA
V
299
R
-
C
LYS
A
652
L
H
HB2
ALA
V
299
R
-
O
LYS
A
652
L
H
C
ALA
V
299
R
-
O
LYS
A
652
L
H
CB
ALA
V
299
R
-
O
LYS
A
652
L
H
HB1
ALA
V
299
R
-
O
LYS
A
652
L
H
HB2
ALA
V
299
R
-
O
LYS
A
652
L
H
N
PHE
V
300
R
-
O
LYS
A
652
L
H
H
PHE
V
300
R
-
O
LYS
A
652
L
H
HA
PHE
V
300
R
-
O
LYS
A
652
L
H
HB2
PHE
V
300
R
-
N
ALA
A
653
L
H
C
ALA
V
299
R
-
N
ALA
A
653
L
H
CB
ALA
V
299
R
-
N
ALA
A
653
L
H
O
ALA
V
299
R
-
N
ALA
A
653
L
H
HB1
ALA
V
299
R
-
N
ALA
A
653
L
H
HB2
ALA
V
299
R
-
CA
ALA
A
653
L
H
C
ALA
V
299
R
-
CA
ALA
A
653
L
H
O
ALA
V
299
R
-
CA
ALA
A
653
L
H
HB1
ALA
V
299
R
-
CA
ALA
A
653
L
H
HA
PHE
V
300
R
-
CA
ALA
A
653
L
-
CB
PHE
V
303
R
-
CA
ALA
A
653
L
-
HB2
PHE
V
303
R
-
CA
ALA
A
653
L
-
HB3
PHE
V
303
R
-
C
ALA
A
653
L
-
HB2
PHE
V
303
R
-
CB
ALA
A
653
L
H
O
ALA
V
299
R
-
CB
ALA
A
653
L
-
CB
PHE
V
303
R
-
CB
ALA
A
653
L
-
HB2
PHE
V
303
R
-
CB
ALA
A
653
L
-
HB3
PHE
V
303
R
-
N
LEU
A
654
L
H
HA
PHE
V
300
R
-
N
LEU
A
654
L
H
HD2
PHE
V
300
R
-
N
LEU
A
654
L
-
HB3
PHE
V
303
R
-
C
LEU
A
654
L
-
CD1
PHE
V
303
R
-
C
LEU
A
654
L
-
CE1
PHE
V
303
R
-
C
LEU
A
654
L
-
HD1
PHE
V
303
R
-
C
LEU
A
654
L
-
HE1
PHE
V
303
R
-
CB
LEU
A
654
L
H
HD2
PHE
V
300
R
-
O
LEU
A
654
L
H
CD2
PHE
V
300
R
-
O
LEU
A
654
L
H
CE2
PHE
V
300
R
-
O
LEU
A
654
L
H
HD2
PHE
V
300
R
-
O
LEU
A
654
L
H
HE2
PHE
V
300
R
-
O
LEU
A
654
L
-
CD1
PHE
V
303
R
-
O
LEU
A
654
L
-
HB3
PHE
V
303
R
-
O
LEU
A
654
L
-
HD1
PHE
V
303
R
-
N
ASP
A
655
L
-
CD1
PHE
V
303
R
-
N
ASP
A
655
L
-
CE1
PHE
V
303
R
-
N
ASP
A
655
L
-
HD1
PHE
V
303
R
-
N
ASP
A
655
L
-
HE1
PHE
V
303
R
-
CA
ASP
A
655
L
-
CD1
PHE
V
303
R
-
CA
ASP
A
655
L
-
CE1
PHE
V
303
R
-
CA
ASP
A
655
L
-
CZ
PHE
V
303
R
-
CA
ASP
A
655
L
-
HD1
PHE
V
303
R
-
CA
ASP
A
655
L
-
HE1
PHE
V
303
R
-
CA
ASP
A
655
L
-
HZ
PHE
V
303
R
-
C
ASP
A
655
L
-
CE1
PHE
V
303
R
-
C
ASP
A
655
L
-
HD1
PHE
V
303
R
-
C
ASP
A
655
L
-
HE1
PHE
V
303
R
-
C
ASP
A
655
L
H
HG3
PRO
V
305
R
-
CB
ASP
A
655
L
-
CD1
PHE
V
303
R
-
CB
ASP
A
655
L
-
CE1
PHE
V
303
R
-
CB
ASP
A
655
L
-
CZ
PHE
V
303
R
-
CB
ASP
A
655
L
-
HD1
PHE
V
303
R
-
CB
ASP
A
655
L
-
HE1
PHE
V
303
R
-
CB
ASP
A
655
L
-
HZ
PHE
V
303
R
-
O
ASP
A
655
L
-
HE1
PHE
V
303
R
-
CG
ASP
A
655
L
-
CD1
PHE
V
303
R
-
CG
ASP
A
655
L
-
CD2
PHE
V
303
R
-
CG
ASP
A
655
L
-
CE1
PHE
V
303
R
-
CG
ASP
A
655
L
-
CE2
PHE
V
303
R
-
CG
ASP
A
655
L
-
CZ
PHE
V
303
R
-
CG
ASP
A
655
L
-
HE1
PHE
V
303
R
-
CG
ASP
A
655
L
-
HE2
PHE
V
303
R
-
CG
ASP
A
655
L
-
HZ
PHE
V
303
R
-
OD1
ASP
A
655
L
-
CG
PHE
V
303
R
-
OD1
ASP
A
655
L
-
CD1
PHE
V
303
R
-
OD1
ASP
A
655
L
-
CD2
PHE
V
303
R
-
OD1
ASP
A
655
L
-
CE1
PHE
V
303
R
-
OD1
ASP
A
655
L
-
CE2
PHE
V
303
R
-
OD1
ASP
A
655
L
-
CZ
PHE
V
303
R
-
OD1
ASP
A
655
L
-
HD1
PHE
V
303
R
-
OD1
ASP
A
655
L
-
HE1
PHE
V
303
R
-
OD1
ASP
A
655
L
-
HE2
PHE
V
303
R
-
OD1
ASP
A
655
L
-
HZ
PHE
V
303
R
-
OD1
ASP
A
655
L
H
HB3
PRO
V
305
R
-
OD2
ASP
A
655
L
-
CE1
PHE
V
303
R
-
OD2
ASP
A
655
L
-
CE2
PHE
V
303
R
-
OD2
ASP
A
655
L
-
CZ
PHE
V
303
R
-
OD2
ASP
A
655
L
-
HE1
PHE
V
303
R
-
OD2
ASP
A
655
L
-
HE2
PHE
V
303
R
-
OD2
ASP
A
655
L
-
HZ
PHE
V
303
R
-
N
PHE
A
656
L
-
CE1
PHE
V
303
R
-
N
PHE
A
656
L
-
HD1
PHE
V
303
R
-
N
PHE
A
656
L
-
HE1
PHE
V
303
R
-
N
PHE
A
656
L
H
CG
PRO
V
305
R
-
N
PHE
A
656
L
H
HB3
PRO
V
305
R
-
N
PHE
A
656
L
H
HG3
PRO
V
305
R
-
CA
PHE
A
656
L
H
HG3
PRO
V
305
R
-
CA
PHE
A
656
L
H
OH
TYR
V
320
R
-
CA
PHE
A
656
L
H
HH
TYR
V
320
R
-
C
PHE
A
656
L
H
OH
TYR
V
320
R
-
C
PHE
A
656
L
H
HH
TYR
V
320
R
-
CB
PHE
A
656
L
H
CG
PRO
V
305
R
-
CB
PHE
A
656
L
H
HB2
PRO
V
305
R
-
CB
PHE
A
656
L
H
HG2
PRO
V
305
R
-
CB
PHE
A
656
L
H
HG3
PRO
V
305
R
-
CB
PHE
A
656
L
H
OH
TYR
V
320
R
-
CB
PHE
A
656
L
H
HE1
TYR
V
320
R
-
CB
PHE
A
656
L
H
HH
TYR
V
320
R
-
CG
PHE
A
656
L
H
CG
PRO
V
305
R
-
CG
PHE
A
656
L
H
HG2
PRO
V
305
R
-
CG
PHE
A
656
L
H
HG3
PRO
V
305
R
-
CG
PHE
A
656
L
H
OH
TYR
V
320
R
-
CG
PHE
A
656
L
H
HH
TYR
V
320
R
-
CG
PHE
A
656
L
H
HB1
ALA
V
324
R
-
CD1
PHE
A
656
L
H
OH
TYR
V
320
R
-
CD1
PHE
A
656
L
H
HH
TYR
V
320
R
-
CD1
PHE
A
656
L
H
HB1
ALA
V
324
R
-
CD1
PHE
A
656
L
H
HB3
ALA
V
324
R
-
CD2
PHE
A
656
L
H
CG
PRO
V
305
R
-
CD2
PHE
A
656
L
H
CD
PRO
V
305
R
-
CD2
PHE
A
656
L
H
HG2
PRO
V
305
R
-
CD2
PHE
A
656
L
H
HG3
PRO
V
305
R
-
CD2
PHE
A
656
L
H
HD2
PRO
V
305
R
-
CD2
PHE
A
656
L
H
HD3
PRO
V
305
R
-
CD2
PHE
A
656
L
H
HH
TYR
V
320
R
-
CD2
PHE
A
656
L
H
HB1
ALA
V
324
R
-
CE1
PHE
A
656
L
H
HZ
PHE
V
300
R
-
CE1
PHE
A
656
L
H
HH
TYR
V
320
R
-
CE1
PHE
A
656
L
H
HA
ALA
V
324
R
-
CE1
PHE
A
656
L
H
HB1
ALA
V
324
R
-
CE2
PHE
A
656
L
H
HZ
PHE
V
300
R
-
CE2
PHE
A
656
L
H
CG
PRO
V
305
R
-
CE2
PHE
A
656
L
H
HG2
PRO
V
305
R
-
CE2
PHE
A
656
L
H
HG3
PRO
V
305
R
-
CE2
PHE
A
656
L
H
HD3
PRO
V
305
R
-
CE2
PHE
A
656
L
H
HB1
ALA
V
324
R
-
CE2
PHE
A
656
L
H
HD1
HIS
V
328
R
-
CZ
PHE
A
656
L
H
CZ
PHE
V
300
R
-
CZ
PHE
A
656
L
H
HZ
PHE
V
300
R
-
CZ
PHE
A
656
L
H
HB1
ALA
V
324
R
-
CZ
PHE
A
656
L
H
HD1
HIS
V
328
R
-
CZ
PHE
A
656
L
H
HE2
PHE
V
332
R
-
N
PRO
A
657
L
H
OH
TYR
V
320
R
-
N
PRO
A
657
L
H
HH
TYR
V
320
R
-
CA
PRO
A
657
L
H
OH
TYR
V
320
R
-
C
PRO
A
657
L
H
OH
TYR
V
320
R
-
C
PRO
A
657
L
H
CZ
TYR
V
320
R
-
C
PRO
A
657
L
H
HH
TYR
V
320
R
-
O
PRO
A
657
L
H
OH
TYR
V
320
R
-
N
GLY
A
658
L
H
CE1
TYR
V
320
R
-
N
GLY
A
658
L
H
CE2
TYR
V
320
R
-
N
GLY
A
658
L
H
OH
TYR
V
320
R
-
N
GLY
A
658
L
H
CZ
TYR
V
320
R
-
N
GLY
A
658
L
H
HE1
TYR
V
320
R
-
N
GLY
A
658
L
H
HE2
TYR
V
320
R
-
N
GLY
A
658
L
H
HH
TYR
V
320
R
-
CA
GLY
A
658
L
H
CD2
TYR
V
320
R
-
CA
GLY
A
658
L
H
CE2
TYR
V
320
R
-
CA
GLY
A
658
L
H
OH
TYR
V
320
R
-
CA
GLY
A
658
L
H
CZ
TYR
V
320
R
-
CA
GLY
A
658
L
H
HE2
TYR
V
320
R
-
C
GLY
A
658
L
H
CE2
TYR
V
320
R
-
C
GLY
A
658
L
H
HE2
TYR
V
320
R
-
N
PHE
A
659
L
H
CD2
TYR
V
320
R
-
N
PHE
A
659
L
H
CE2
TYR
V
320
R
-
N
PHE
A
659
L
H
HD2
TYR
V
320
R
-
N
PHE
A
659
L
H
HE2
TYR
V
320
R
-
CG
PHE
A
659
L
H
HB2
TYR
V
320
R
-
CG
PHE
A
659
L
H
HD2
TYR
V
320
R
-
CG
PHE
A
659
L
-
HD12
LEU
V
446
R
-
CD1
PHE
A
659
L
-
CD1
LEU
V
446
R
-
CD1
PHE
A
659
L
-
HD11
LEU
V
446
R
-
CD1
PHE
A
659
L
-
HD12
LEU
V
446
R
-
CD1
PHE
A
659
L
-
HD13
LEU
V
446
R
-
CD2
PHE
A
659
L
H
CB
TYR
V
320
R
-
CD2
PHE
A
659
L
H
CG
TYR
V
320
R
-
CD2
PHE
A
659
L
H
CD2
TYR
V
320
R
-
CD2
PHE
A
659
L
H
HB2
TYR
V
320
R
-
CD2
PHE
A
659
L
H
HD2
TYR
V
320
R
-
CD2
PHE
A
659
L
-
HD12
LEU
V
446
R
-
CE1
PHE
A
659
L
H
HB3
PRO
V
316
R
-
CE1
PHE
A
659
L
-
CG
LEU
V
446
R
-
CE1
PHE
A
659
L
-
CD1
LEU
V
446
R
-
CE1
PHE
A
659
L
-
CD2
LEU
V
446
R
-
CE1
PHE
A
659
L
-
HG
LEU
V
446
R
-
CE1
PHE
A
659
L
-
HD11
LEU
V
446
R
-
CE1
PHE
A
659
L
-
HD12
LEU
V
446
R
-
CE1
PHE
A
659
L
-
HD13
LEU
V
446
R
-
CE1
PHE
A
659
L
-
HD22
LEU
V
446
R
-
CE1
PHE
A
659
L
-
HD23
LEU
V
446
R
-
CE2
PHE
A
659
L
H
O
PRO
V
316
R
-
CE2
PHE
A
659
L
H
N
TYR
V
320
R
-
CE2
PHE
A
659
L
H
CA
TYR
V
320
R
-
CE2
PHE
A
659
L
H
CB
TYR
V
320
R
-
CE2
PHE
A
659
L
H
CG
TYR
V
320
R
-
CE2
PHE
A
659
L
H
CD2
TYR
V
320
R
-
CE2
PHE
A
659
L
H
H
TYR
V
320
R
-
CE2
PHE
A
659
L
H
HA
TYR
V
320
R
-
CE2
PHE
A
659
L
H
HB2
TYR
V
320
R
-
CE2
PHE
A
659
L
H
HB3
TYR
V
320
R
-
CE2
PHE
A
659
L
H
HD2
TYR
V
320
R
-
CE2
PHE
A
659
L
-
HD12
LEU
V
446
R
-
CE2
PHE
A
659
L
-
HD22
LEU
V
446
R
-
CZ
PHE
A
659
L
H
O
PRO
V
316
R
-
CZ
PHE
A
659
L
H
HB3
PRO
V
316
R
-
CZ
PHE
A
659
L
H
HB2
TYR
V
320
R
-
CZ
PHE
A
659
L
-
CG
LEU
V
446
R
-
CZ
PHE
A
659
L
-
CD1
LEU
V
446
R
-
CZ
PHE
A
659
L
-
CD2
LEU
V
446
R
-
CZ
PHE
A
659
L
-
HG
LEU
V
446
R
-
CZ
PHE
A
659
L
-
HD11
LEU
V
446
R
-
CZ
PHE
A
659
L
-
HD12
LEU
V
446
R
-
CZ
PHE
A
659
L
-
HD13
LEU
V
446
R
-
CZ
PHE
A
659
L
-
HD21
LEU
V
446
R
-
CZ
PHE
A
659
L
-
HD22
LEU
V
446
R
-
CZ
PHE
A
659
L
-
HD23
LEU
V
446
R
-
CD2
LEU
A
660
L
H
HE1
PHE
V
456
R
-
CA
ASP
A
661
L
H
SD
MET
V
443
R
-
OD1
ASP
A
661
L
H
SD
MET
V
443
R
-
OD1
ASP
A
661
L
-
HD2
HIS
V
449
R
-
N
MET
A
662
L
H
SD
MET
V
443
R
-
N
MET
A
662
L
H
CE
MET
V
443
R
-
N
MET
A
662
L
H
HE1
MET
V
443
R
-
CA
MET
A
662
L
H
HE1
MET
V
443
R
-
C
MET
A
662
L
H
HE1
MET
V
443
R
-
O
MET
A
662
L
H
HD13
LEU
V
436
R
-
O
MET
A
662
L
H
HG3
GLU
V
440
R
-
O
MET
A
662
L
H
CE
MET
V
443
R
-
O
MET
A
662
L
H
HE1
MET
V
443
R
-
O
MET
A
662
L
H
HE3
MET
V
443
R
-
SD
MET
A
663
L
-
HE2
HIS
V
449
R
-
N
ALA
A
664
L
H
CD
GLU
V
440
R
-
N
ALA
A
664
L
H
OE1
GLU
V
440
R
-
N
ALA
A
664
L
H
HG3
GLU
V
440
R
-
CA
ALA
A
664
L
H
CD
GLU
V
440
R
-
CA
ALA
A
664
L
H
OE1
GLU
V
440
R
-
CA
ALA
A
664
L
H
HG3
GLU
V
440
R
-
C
ALA
A
664
L
H
CD
GLU
V
440
R
-
C
ALA
A
664
L
H
OE1
GLU
V
440
R
-
CB
ALA
A
664
L
H
HG
LEU
V
436
R
-
CB
ALA
A
664
L
H
HD13
LEU
V
436
R
-
CB
ALA
A
664
L
H
HD22
LEU
V
436
R
-
CB
ALA
A
664
L
H
CG
GLU
V
440
R
-
CB
ALA
A
664
L
H
CD
GLU
V
440
R
-
CB
ALA
A
664
L
H
OE1
GLU
V
440
R
-
CB
ALA
A
664
L
H
OE2
GLU
V
440
R
-
CB
ALA
A
664
L
H
HG2
GLU
V
440
R
-
CB
ALA
A
664
L
H
HG3
GLU
V
440
R
-
O
ALA
A
664
L
H
CD
GLU
V
440
R
-
O
ALA
A
664
L
H
OE1
GLU
V
440
R
-
O
ALA
A
664
L
H
HG3
GLU
V
440
R
-
NE
ARG
A
666
L
H
HB3
GLU
V
440
R
-
NE
ARG
A
666
L
H
HA3
GLY
V
441
R
-
NE
ARG
A
666
L
H
HB2
ALA
V
444
R
-
NH1
ARG
A
666
L
H
HA3
GLY
V
441
R
-
NH1
ARG
A
666
L
H
CB
ALA
V
444
R
-
NH1
ARG
A
666
L
H
HB1
ALA
V
444
R
-
NH1
ARG
A
666
L
H
HB2
ALA
V
444
R
-
NH1
ARG
A
666
L
H
HB3
ALA
V
444
R
-
NH2
ARG
A
666
L
H
C
GLU
V
440
R
-
NH2
ARG
A
666
L
H
O
GLU
V
440
R
-
NH2
ARG
A
666
L
H
N
GLY
V
441
R
-
NH2
ARG
A
666
L
H
CA
GLY
V
441
R
-
NH2
ARG
A
666
L
H
C
GLY
V
441
R
-
NH2
ARG
A
666
L
H
O
GLY
V
441
R
-
NH2
ARG
A
666
L
H
H
GLY
V
441
R
-
NH2
ARG
A
666
L
H
HA2
GLY
V
441
R
-
NH2
ARG
A
666
L
H
HA3
GLY
V
441
R
-
NH2
ARG
A
666
L
H
CB
ALA
V
444
R
-
NH2
ARG
A
666
L
H
H
ALA
V
444
R
-
NH2
ARG
A
666
L
H
HB1
ALA
V
444
R
-
NH2
ARG
A
666
L
H
HB2
ALA
V
444
R
-
NH2
ARG
A
666
L
H
HB3
ALA
V
444
R
-
CZ
ARG
A
666
L
H
O
GLU
V
440
R
-
CZ
ARG
A
666
L
H
CA
GLY
V
441
R
-
CZ
ARG
A
666
L
H
HA3
GLY
V
441
R
-
CZ
ARG
A
666
L
H
CB
ALA
V
444
R
-
CZ
ARG
A
666
L
H
HB1
ALA
V
444
R
-
CZ
ARG
A
666
L
H
HB2
ALA
V
444
R
-
CZ
ARG
A
666
L
H
HB3
ALA
V
444