A1IGU5_Q96QB1.1
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
-
PHE
A
1340
L
-
HIS
V
450
R
-
PHE
A
1340
L
-
PRO
V
452
R
S
TRP
A
1343
L
-
PRO
V
452
R
S
SER
A
1345
L
-
PRO
V
452
R
S
SER
A
1345
L
H
PRO
V
454
R
S
SER
A
1345
L
H
ALA
V
455
R
-
SER
A
1347
L
H
LYS
V
458
R
-
THR
A
1348
L
H
LYS
V
458
R
-
GLU
A
1350
L
H
LYS
V
458
R
-
ALA
A
1352
L
H
LYS
V
458
R
-
ASN
A
412
L
H
ASP
V
271
R
-
LEU
A
413
L
H
LYS
V
267
R
-
LEU
A
413
L
H
ASP
V
271
R
-
LEU
A
413
L
H
GLU
V
274
R
-
SER
A
414
L
H
LYS
V
267
R
-
PHE
A
651
L
-
PRO
V
484
R
-
PHE
A
651
L
-
PRO
V
485
R
-
PHE
A
651
L
S
GLN
V
565
R
-
SER
A
652
L
S
GLN
V
565
R
-
MET
A
653
L
S
GLN
V
565
R
-
MET
A
653
L
S
LEU
V
566
R
-
MET
A
653
L
-
HIS
V
568
R
-
LYS
A
654
L
S
LEU
V
566
R
-
GLY
A
655
L
S
TYR
V
511
R
-
GLY
A
655
L
S
LEU
V
566
R
-
HIS
A
656
L
S
TYR
V
511
R
-
GLU
A
657
L
-
ASN
V
538
R
-
LYS
A
658
L
-
ASN
V
538
R
-
THR
A
659
L
S
GLN
V
537
R
-
THR
A
659
L
-
ASN
V
538
R
-
ALA
A
660
L
S
GLN
V
537
R
-
LYS
A
661
L
S
GLN
V
537
R
-
LYS
A
661
L
-
THR
V
541
R
-
SER
A
662
L
S
GLN
V
537
R
-
SER
A
662
L
-
THR
V
541
R
-
LYS
A
663
L
-
THR
V
541
R
-
THR
A
664
L
-
THR
V
541
R
-
ARG
A
665
L
-
LEU
V
523
R
-
SER
A
666
L
-
LEU
V
523
R
-
LEU
A
676
L
H
ALA
V
292
R
-
LEU
A
676
L
H
ASP
V
295
R
-
LEU
A
676
L
H
ASN
V
296
R
-
LYS
A
677
L
H
ASN
V
288
R
-
LYS
A
677
L
H
ALA
V
292
R
-
LYS
A
677
L
H
ASP
V
295
R
-
SER
A
678
L
H
ALA
V
291
R
-
SER
A
678
L
H
ALA
V
292
R
-
SER
A
678
L
H
ASP
V
295
R
-
SER
A
679
L
H
ALA
V
291
R
-
SER
A
679
L
H
ASP
V
295
R
-
SER
A
679
L
H
TRP
V
344
R
-
HIS
A
680
L
H
TRP
V
344
R
-
HIS
A
681
L
H
LYS
V
336
R
-
HIS
A
681
L
H
TRP
V
344
R
-
HIS
A
681
L
H
GLN
V
345
R
-
SER
A
682
L
H
LYS
V
336
R
-
SER
A
682
L
H
GLU
V
340
R
-
LYS
A
683
L
H
GLN
V
337
R
-
LYS
A
683
L
H
GLU
V
340
R
-
HIS
A
684
L
H
GLN
V
337
R
-
LYS
A
685
L
H
GLN
V
337
R
-
PRO
A
687
L
H
ARG
V
338
R
-
PRO
A
687
L
H
LEU
V
342
R
-
LEU
A
690
L
H
GLN
V
419
R
-
GLY
A
691
L
H
GLN
V
419
R
-
LYS
A
770
L
H
PHE
V
300
R
-
ARG
A
771
L
-
PHE
V
303
R
-
MET
A
774
L
H
TYR
V
320
R
-
MET
A
774
L
-
LEU
V
446
R
-
MET
A
774
L
H
PHE
V
456
R
-
TYR
A
775
L
H
TYR
V
320
R
-
TYR
A
775
L
H
LEU
V
323
R
-
TYR
A
775
L
H
MET
V
443
R
-
TYR
A
775
L
-
LEU
V
446
R
-
LEU
A
776
L
H
MET
V
443
R
-
LEU
A
776
L
-
LEU
V
446
R
-
LEU
A
776
L
-
HIS
V
449
R
-
GLU
A
777
L
H
LEU
V
436
R
-
GLU
A
777
L
H
GLU
V
440
R
-
GLU
A
777
L
H
MET
V
443
R
-
GLU
A
777
L
-
HIS
V
449
A1IGU5_Q96QB1.1
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
-
ND2
ASN
A
412
L
H
OD2
ASP
V
271
R
-
ND2
ASN
A
412
L
H
HB2
ASP
V
271
R
-
C
LEU
A
413
L
H
NZ
LYS
V
267
R
-
C
LEU
A
413
L
H
HZ1
LYS
V
267
R
-
O
LEU
A
413
L
H
CE
LYS
V
267
R
-
O
LEU
A
413
L
H
NZ
LYS
V
267
R
-
O
LEU
A
413
L
H
HE2
LYS
V
267
R
-
O
LEU
A
413
L
H
HE3
LYS
V
267
R
-
O
LEU
A
413
L
H
HZ1
LYS
V
267
R
-
O
LEU
A
413
L
H
HZ2
LYS
V
267
R
-
O
LEU
A
413
L
H
HZ3
LYS
V
267
R
-
CD2
LEU
A
413
L
H
OD1
ASP
V
271
R
-
CD2
LEU
A
413
L
H
OE2
GLU
V
274
R
-
N
SER
A
414
L
H
HZ1
LYS
V
267
R
-
CA
SER
A
414
L
H
HZ1
LYS
V
267
R
-
C
SER
A
414
L
H
HZ1
LYS
V
267
R
-
CB
SER
A
414
L
H
HE3
LYS
V
267
R
-
CB
SER
A
414
L
H
HZ1
LYS
V
267
R
-
O
SER
A
414
L
H
NZ
LYS
V
267
R
-
O
SER
A
414
L
H
HZ1
LYS
V
267
R
-
O
SER
A
414
L
H
HZ3
LYS
V
267
R
-
OG
SER
A
414
L
H
CE
LYS
V
267
R
-
OG
SER
A
414
L
H
NZ
LYS
V
267
R
-
OG
SER
A
414
L
H
HE2
LYS
V
267
R
-
OG
SER
A
414
L
H
HE3
LYS
V
267
R
-
OG
SER
A
414
L
H
HZ1
LYS
V
267
R
-
OG
SER
A
414
L
H
HZ3
LYS
V
267
R
-
CB
PHE
A
651
L
-
HG2
PRO
V
485
R
-
CB
PHE
A
651
L
S
HE22
GLN
V
565
R
-
CG
PHE
A
651
L
-
HG2
PRO
V
485
R
-
CG
PHE
A
651
L
S
HE22
GLN
V
565
R
-
CD1
PHE
A
651
L
S
NE2
GLN
V
565
R
-
CD1
PHE
A
651
L
S
HE22
GLN
V
565
R
-
CD2
PHE
A
651
L
-
HB2
PRO
V
484
R
-
CE1
PHE
A
651
L
S
HE22
GLN
V
565
R
-
CE2
PHE
A
651
L
-
HB2
PRO
V
484
R
-
C
SER
A
652
L
S
HE21
GLN
V
565
R
-
O
SER
A
652
L
S
NE2
GLN
V
565
R
-
O
SER
A
652
L
S
HE21
GLN
V
565
R
-
O
SER
A
652
L
S
HE22
GLN
V
565
R
-
N
MET
A
653
L
S
NE2
GLN
V
565
R
-
N
MET
A
653
L
S
HG3
GLN
V
565
R
-
N
MET
A
653
L
S
HE21
GLN
V
565
R
-
CA
MET
A
653
L
S
HE21
GLN
V
565
R
-
C
MET
A
653
L
S
HG3
GLN
V
565
R
-
CB
MET
A
653
L
S
HE21
GLN
V
565
R
-
CB
MET
A
653
L
-
HE2
HIS
V
568
R
-
O
MET
A
653
L
S
CG
GLN
V
565
R
-
O
MET
A
653
L
S
HG2
GLN
V
565
R
-
O
MET
A
653
L
S
HG3
GLN
V
565
R
-
O
MET
A
653
L
S
HE21
GLN
V
565
R
-
O
MET
A
653
L
S
H
LEU
V
566
R
-
O
MET
A
653
L
S
HB3
LEU
V
566
R
-
CG
MET
A
653
L
-
HE2
HIS
V
568
R
-
SD
MET
A
653
L
-
HE2
HIS
V
568
R
-
C
LYS
A
654
L
S
HB2
LEU
V
566
R
-
C
LYS
A
654
L
S
HD23
LEU
V
566
R
-
O
LYS
A
654
L
S
CB
LEU
V
566
R
-
O
LYS
A
654
L
S
CD2
LEU
V
566
R
-
O
LYS
A
654
L
S
HB2
LEU
V
566
R
-
O
LYS
A
654
L
S
HB3
LEU
V
566
R
-
O
LYS
A
654
L
S
HD21
LEU
V
566
R
-
O
LYS
A
654
L
S
HD23
LEU
V
566
R
-
C
GLY
A
655
L
S
OH
TYR
V
511
R
-
C
GLY
A
655
L
S
HH
TYR
V
511
R
-
O
GLY
A
655
L
S
OH
TYR
V
511
R
-
O
GLY
A
655
L
S
CZ
TYR
V
511
R
-
O
GLY
A
655
L
S
HH
TYR
V
511
R
-
O
GLY
A
655
L
S
HD13
LEU
V
566
R
-
O
GLY
A
655
L
S
HD23
LEU
V
566
R
-
O
HIS
A
656
L
S
HH
TYR
V
511
R
-
N
GLU
A
657
L
-
HD21
ASN
V
538
R
-
CA
GLU
A
657
L
-
HD21
ASN
V
538
R
-
CA
GLU
A
657
L
-
HD22
ASN
V
538
R
-
C
GLU
A
657
L
-
ND2
ASN
V
538
R
-
C
GLU
A
657
L
-
HD21
ASN
V
538
R
-
C
GLU
A
657
L
-
HD22
ASN
V
538
R
-
N
LYS
A
658
L
-
CG
ASN
V
538
R
-
N
LYS
A
658
L
-
ND2
ASN
V
538
R
-
N
LYS
A
658
L
-
HD21
ASN
V
538
R
-
N
LYS
A
658
L
-
HD22
ASN
V
538
R
-
CA
LYS
A
658
L
-
ND2
ASN
V
538
R
-
CA
LYS
A
658
L
-
HD21
ASN
V
538
R
-
CA
LYS
A
658
L
-
HD22
ASN
V
538
R
-
C
LYS
A
658
L
-
CG
ASN
V
538
R
-
C
LYS
A
658
L
-
ND2
ASN
V
538
R
-
C
LYS
A
658
L
-
OD1
ASN
V
538
R
-
C
LYS
A
658
L
-
HD22
ASN
V
538
R
-
O
LYS
A
658
L
-
HD22
ASN
V
538
R
-
N
THR
A
659
L
-
CG
ASN
V
538
R
-
N
THR
A
659
L
-
ND2
ASN
V
538
R
-
N
THR
A
659
L
-
OD1
ASN
V
538
R
-
N
THR
A
659
L
-
HD22
ASN
V
538
R
-
C
THR
A
659
L
S
HG2
GLN
V
537
R
-
O
THR
A
659
L
S
CB
GLN
V
537
R
-
O
THR
A
659
L
S
CG
GLN
V
537
R
-
O
THR
A
659
L
S
HA
GLN
V
537
R
-
O
THR
A
659
L
S
HB2
GLN
V
537
R
-
O
THR
A
659
L
S
HG2
GLN
V
537
R
-
O
THR
A
659
L
-
H
ASN
V
538
R
-
C
ALA
A
660
L
S
CD
GLN
V
537
R
-
C
ALA
A
660
L
S
NE2
GLN
V
537
R
-
C
ALA
A
660
L
S
OE1
GLN
V
537
R
-
C
ALA
A
660
L
S
HE22
GLN
V
537
R
-
O
ALA
A
660
L
S
CB
GLN
V
537
R
-
O
ALA
A
660
L
S
CG
GLN
V
537
R
-
O
ALA
A
660
L
S
CD
GLN
V
537
R
-
O
ALA
A
660
L
S
NE2
GLN
V
537
R
-
O
ALA
A
660
L
S
OE1
GLN
V
537
R
-
O
ALA
A
660
L
S
HB2
GLN
V
537
R
-
O
ALA
A
660
L
S
HG2
GLN
V
537
R
-
O
ALA
A
660
L
S
HE21
GLN
V
537
R
-
O
ALA
A
660
L
S
HE22
GLN
V
537
R
-
N
LYS
A
661
L
S
OE1
GLN
V
537
R
-
C
LYS
A
661
L
S
NE2
GLN
V
537
R
-
C
LYS
A
661
L
S
OE1
GLN
V
537
R
-
C
LYS
A
661
L
S
HE22
GLN
V
537
R
-
C
LYS
A
661
L
-
HG22
THR
V
541
R
-
O
LYS
A
661
L
S
CD
GLN
V
537
R
-
O
LYS
A
661
L
S
NE2
GLN
V
537
R
-
O
LYS
A
661
L
S
OE1
GLN
V
537
R
-
O
LYS
A
661
L
S
HE21
GLN
V
537
R
-
O
LYS
A
661
L
S
HE22
GLN
V
537
R
-
N
SER
A
662
L
S
OE1
GLN
V
537
R
-
N
SER
A
662
L
S
HE22
GLN
V
537
R
-
N
SER
A
662
L
-
CG2
THR
V
541
R
-
N
SER
A
662
L
-
HA
THR
V
541
R
-
N
SER
A
662
L
-
HG22
THR
V
541
R
-
N
SER
A
662
L
-
HG23
THR
V
541
R
-
CA
SER
A
662
L
-
CG2
THR
V
541
R
-
CA
SER
A
662
L
-
HA
THR
V
541
R
-
CA
SER
A
662
L
-
HB
THR
V
541
R
-
CA
SER
A
662
L
-
HG21
THR
V
541
R
-
CA
SER
A
662
L
-
HG22
THR
V
541
R
-
CA
SER
A
662
L
-
HG23
THR
V
541
R
-
C
SER
A
662
L
-
CG2
THR
V
541
R
-
C
SER
A
662
L
-
HG21
THR
V
541
R
-
C
SER
A
662
L
-
HG22
THR
V
541
R
-
C
SER
A
662
L
-
HG23
THR
V
541
R
-
CB
SER
A
662
L
-
HG22
THR
V
541
R
-
O
SER
A
662
L
S
HE22
GLN
V
537
R
-
O
SER
A
662
L
-
HG22
THR
V
541
R
-
N
LYS
A
663
L
-
CG2
THR
V
541
R
-
N
LYS
A
663
L
-
HG21
THR
V
541
R
-
N
LYS
A
663
L
-
HG22
THR
V
541
R
-
N
LYS
A
663
L
-
HG23
THR
V
541
R
-
CA
LYS
A
663
L
-
CG2
THR
V
541
R
-
CA
LYS
A
663
L
-
HG21
THR
V
541
R
-
CA
LYS
A
663
L
-
HG22
THR
V
541
R
-
C
LYS
A
663
L
-
HG21
THR
V
541
R
-
O
LYS
A
663
L
-
HG21
THR
V
541
R
-
N
THR
A
664
L
-
HG21
THR
V
541
R
-
N
ARG
A
665
L
-
HD13
LEU
V
523
R
-
C
ARG
A
665
L
-
HD22
LEU
V
523
R
-
O
ARG
A
665
L
-
HD22
LEU
V
523
R
-
N
SER
A
666
L
-
HD22
LEU
V
523
R
-
C
LEU
A
676
L
H
CB
ALA
V
292
R
-
C
LEU
A
676
L
H
HA
ALA
V
292
R
-
C
LEU
A
676
L
H
HB1
ALA
V
292
R
-
C
LEU
A
676
L
H
HB3
ALA
V
292
R
-
O
LEU
A
676
L
H
CA
ALA
V
292
R
-
O
LEU
A
676
L
H
CB
ALA
V
292
R
-
O
LEU
A
676
L
H
O
ALA
V
292
R
-
O
LEU
A
676
L
H
HA
ALA
V
292
R
-
O
LEU
A
676
L
H
HB1
ALA
V
292
R
-
O
LEU
A
676
L
H
HB3
ALA
V
292
R
-
O
LEU
A
676
L
H
HB2
ASP
V
295
R
-
O
LEU
A
676
L
H
HD22
ASN
V
296
R
-
N
LYS
A
677
L
H
CA
ALA
V
292
R
-
N
LYS
A
677
L
H
CB
ALA
V
292
R
-
N
LYS
A
677
L
H
HA
ALA
V
292
R
-
N
LYS
A
677
L
H
HB1
ALA
V
292
R
-
N
LYS
A
677
L
H
HB3
ALA
V
292
R
-
CA
LYS
A
677
L
H
CB
ALA
V
292
R
-
CA
LYS
A
677
L
H
HA
ALA
V
292
R
-
CA
LYS
A
677
L
H
HB1
ALA
V
292
R
-
CA
LYS
A
677
L
H
HB3
ALA
V
292
R
-
C
LYS
A
677
L
H
HA
ALA
V
292
R
-
C
LYS
A
677
L
H
HB3
ALA
V
292
R
-
C
LYS
A
677
L
H
OD2
ASP
V
295
R
-
CB
LYS
A
677
L
H
HB3
ALA
V
292
R
-
O
LYS
A
677
L
H
OD2
ASP
V
295
R
-
CG
LYS
A
677
L
H
HB3
ASN
V
288
R
-
CE
LYS
A
677
L
H
ND2
ASN
V
288
R
-
CE
LYS
A
677
L
H
HB3
ASN
V
288
R
-
N
SER
A
678
L
H
C
ALA
V
291
R
-
N
SER
A
678
L
H
CB
ALA
V
291
R
-
N
SER
A
678
L
H
O
ALA
V
291
R
-
N
SER
A
678
L
H
HB1
ALA
V
291
R
-
N
SER
A
678
L
H
HB2
ALA
V
291
R
-
N
SER
A
678
L
H
N
ALA
V
292
R
-
N
SER
A
678
L
H
CA
ALA
V
292
R
-
N
SER
A
678
L
H
CB
ALA
V
292
R
-
N
SER
A
678
L
H
H
ALA
V
292
R
-
N
SER
A
678
L
H
HA
ALA
V
292
R
-
N
SER
A
678
L
H
HB3
ALA
V
292
R
-
N
SER
A
678
L
H
CG
ASP
V
295
R
-
N
SER
A
678
L
H
OD2
ASP
V
295
R
-
CA
SER
A
678
L
H
C
ALA
V
291
R
-
CA
SER
A
678
L
H
CB
ALA
V
291
R
-
CA
SER
A
678
L
H
HB1
ALA
V
291
R
-
CA
SER
A
678
L
H
HB2
ALA
V
291
R
-
CA
SER
A
678
L
H
HB3
ALA
V
291
R
-
CA
SER
A
678
L
H
N
ALA
V
292
R
-
CA
SER
A
678
L
H
OD2
ASP
V
295
R
-
C
SER
A
678
L
H
CB
ALA
V
291
R
-
C
SER
A
678
L
H
HB1
ALA
V
291
R
-
C
SER
A
678
L
H
HB2
ALA
V
291
R
-
C
SER
A
678
L
H
CG
ASP
V
295
R
-
C
SER
A
678
L
H
OD1
ASP
V
295
R
-
C
SER
A
678
L
H
OD2
ASP
V
295
R
-
CB
SER
A
678
L
H
HB1
ALA
V
291
R
-
CB
SER
A
678
L
H
HB2
ALA
V
291
R
-
O
SER
A
678
L
H
HB1
ALA
V
291
R
-
O
SER
A
678
L
H
CG
ASP
V
295
R
-
O
SER
A
678
L
H
OD1
ASP
V
295
R
-
O
SER
A
678
L
H
OD2
ASP
V
295
R
-
OG
SER
A
678
L
H
HB1
ALA
V
291
R
-
N
SER
A
679
L
H
CA
ALA
V
291
R
-
N
SER
A
679
L
H
C
ALA
V
291
R
-
N
SER
A
679
L
H
CB
ALA
V
291
R
-
N
SER
A
679
L
H
O
ALA
V
291
R
-
N
SER
A
679
L
H
HA
ALA
V
291
R
-
N
SER
A
679
L
H
HB1
ALA
V
291
R
-
N
SER
A
679
L
H
HB2
ALA
V
291
R
-
N
SER
A
679
L
H
HB3
ALA
V
291
R
-
N
SER
A
679
L
H
CG
ASP
V
295
R
-
N
SER
A
679
L
H
OD1
ASP
V
295
R
-
N
SER
A
679
L
H
OD2
ASP
V
295
R
-
CA
SER
A
679
L
H
CB
ALA
V
291
R
-
CA
SER
A
679
L
H
HA
ALA
V
291
R
-
CA
SER
A
679
L
H
HB1
ALA
V
291
R
-
CA
SER
A
679
L
H
HB3
ALA
V
291
R
-
CA
SER
A
679
L
H
HZ2
TRP
V
344
R
-
CB
SER
A
679
L
H
HB1
ALA
V
291
R
-
CB
SER
A
679
L
H
HB3
ALA
V
291
R
-
CB
SER
A
679
L
H
HH2
TRP
V
344
R
-
CB
SER
A
679
L
H
HZ2
TRP
V
344
R
-
O
SER
A
679
L
H
OD1
ASP
V
295
R
-
OG
SER
A
679
L
H
CZ2
TRP
V
344
R
-
OG
SER
A
679
L
H
HZ2
TRP
V
344
R
-
CG
HIS
A
680
L
H
HZ2
TRP
V
344
R
-
CD2
HIS
A
680
L
H
HZ2
TRP
V
344
R
-
ND1
HIS
A
680
L
H
CZ2
TRP
V
344
R
-
ND1
HIS
A
680
L
H
HZ2
TRP
V
344
R
-
ND1
HIS
A
680
L
H
HE1
TRP
V
344
R
-
CE1
HIS
A
680
L
H
CZ2
TRP
V
344
R
-
CE1
HIS
A
680
L
H
HZ2
TRP
V
344
R
-
NE2
HIS
A
680
L
H
HZ2
TRP
V
344
R
-
O
HIS
A
681
L
H
HZ3
LYS
V
336
R
-
ND1
HIS
A
681
L
H
HE21
GLN
V
345
R
-
ND1
HIS
A
681
L
H
HE22
GLN
V
345
R
-
CE1
HIS
A
681
L
H
HE1
TRP
V
344
R
-
CE1
HIS
A
681
L
H
NE2
GLN
V
345
R
-
CE1
HIS
A
681
L
H
HE21
GLN
V
345
R
-
CE1
HIS
A
681
L
H
HE22
GLN
V
345
R
-
NE2
HIS
A
681
L
H
HE1
TRP
V
344
R
-
N
SER
A
682
L
H
HZ3
LYS
V
336
R
-
N
SER
A
682
L
H
CD
GLU
V
340
R
-
N
SER
A
682
L
H
OE1
GLU
V
340
R
-
N
SER
A
682
L
H
OE2
GLU
V
340
R
-
CA
SER
A
682
L
H
OE2
GLU
V
340
R
-
N
LYS
A
683
L
H
HG2
GLN
V
337
R
-
N
LYS
A
683
L
H
OE2
GLU
V
340
R
-
CA
LYS
A
683
L
H
HG2
GLN
V
337
R
-
C
LYS
A
683
L
H
CG
GLN
V
337
R
-
C
LYS
A
683
L
H
NE2
GLN
V
337
R
-
C
LYS
A
683
L
H
HG2
GLN
V
337
R
-
C
LYS
A
683
L
H
HE21
GLN
V
337
R
-
O
LYS
A
683
L
H
CG
GLN
V
337
R
-
O
LYS
A
683
L
H
CD
GLN
V
337
R
-
O
LYS
A
683
L
H
NE2
GLN
V
337
R
-
O
LYS
A
683
L
H
HG2
GLN
V
337
R
-
O
LYS
A
683
L
H
HE21
GLN
V
337
R
-
O
LYS
A
683
L
H
HE22
GLN
V
337
R
-
N
HIS
A
684
L
H
CG
GLN
V
337
R
-
N
HIS
A
684
L
H
CD
GLN
V
337
R
-
N
HIS
A
684
L
H
NE2
GLN
V
337
R
-
N
HIS
A
684
L
H
HB3
GLN
V
337
R
-
N
HIS
A
684
L
H
HG2
GLN
V
337
R
-
N
HIS
A
684
L
H
HE21
GLN
V
337
R
-
N
HIS
A
684
L
H
HE22
GLN
V
337
R
-
CA
HIS
A
684
L
H
CD
GLN
V
337
R
-
CA
HIS
A
684
L
H
NE2
GLN
V
337
R
-
CA
HIS
A
684
L
H
HG2
GLN
V
337
R
-
CA
HIS
A
684
L
H
HE21
GLN
V
337
R
-
C
HIS
A
684
L
H
CG
GLN
V
337
R
-
C
HIS
A
684
L
H
CD
GLN
V
337
R
-
C
HIS
A
684
L
H
NE2
GLN
V
337
R
-
C
HIS
A
684
L
H
OE1
GLN
V
337
R
-
C
HIS
A
684
L
H
HB3
GLN
V
337
R
-
C
HIS
A
684
L
H
HG2
GLN
V
337
R
-
C
HIS
A
684
L
H
HE21
GLN
V
337
R
-
C
HIS
A
684
L
H
HE22
GLN
V
337
R
-
O
HIS
A
684
L
H
CG
GLN
V
337
R
-
O
HIS
A
684
L
H
CD
GLN
V
337
R
-
O
HIS
A
684
L
H
NE2
GLN
V
337
R
-
O
HIS
A
684
L
H
OE1
GLN
V
337
R
-
O
HIS
A
684
L
H
HB3
GLN
V
337
R
-
O
HIS
A
684
L
H
HG2
GLN
V
337
R
-
O
HIS
A
684
L
H
HE21
GLN
V
337
R
-
O
HIS
A
684
L
H
HE22
GLN
V
337
R
-
N
LYS
A
685
L
H
CB
GLN
V
337
R
-
N
LYS
A
685
L
H
CG
GLN
V
337
R
-
N
LYS
A
685
L
H
CD
GLN
V
337
R
-
N
LYS
A
685
L
H
NE2
GLN
V
337
R
-
N
LYS
A
685
L
H
OE1
GLN
V
337
R
-
N
LYS
A
685
L
H
HB3
GLN
V
337
R
-
N
LYS
A
685
L
H
HG2
GLN
V
337
R
-
O
LYS
A
685
L
H
OE1
GLN
V
337
R
-
N
PRO
A
687
L
H
HG2
ARG
V
338
R
-
CA
PRO
A
687
L
H
HG2
ARG
V
338
R
-
CA
PRO
A
687
L
H
HD12
LEU
V
342
R
-
C
PRO
A
687
L
H
HD12
LEU
V
342
R
-
CB
PRO
A
687
L
H
CG
ARG
V
338
R
-
CB
PRO
A
687
L
H
HA
ARG
V
338
R
-
CB
PRO
A
687
L
H
HG2
ARG
V
338
R
-
CB
PRO
A
687
L
H
HE
ARG
V
338
R
-
CB
PRO
A
687
L
H
CG
LEU
V
342
R
-
CB
PRO
A
687
L
H
CD1
LEU
V
342
R
-
CB
PRO
A
687
L
H
HG
LEU
V
342
R
-
CB
PRO
A
687
L
H
HD11
LEU
V
342
R
-
CB
PRO
A
687
L
H
HD12
LEU
V
342
R
-
CB
PRO
A
687
L
H
HD22
LEU
V
342
R
-
CG
PRO
A
687
L
H
HA
ARG
V
338
R
-
CG
PRO
A
687
L
H
HG2
ARG
V
338
R
-
CG
PRO
A
687
L
H
CG
LEU
V
342
R
-
CG
PRO
A
687
L
H
CD1
LEU
V
342
R
-
CG
PRO
A
687
L
H
CD2
LEU
V
342
R
-
CG
PRO
A
687
L
H
HG
LEU
V
342
R
-
CG
PRO
A
687
L
H
HD12
LEU
V
342
R
-
CG
PRO
A
687
L
H
HD22
LEU
V
342
R
-
CD2
LEU
A
690
L
H
NE2
GLN
V
419
R
-
CD2
LEU
A
690
L
H
HE21
GLN
V
419
R
-
CD2
LEU
A
690
L
H
HE22
GLN
V
419
R
-
N
GLY
A
691
L
H
HE22
GLN
V
419
R
-
CA
GLY
A
691
L
H
NE2
GLN
V
419
R
-
CA
GLY
A
691
L
H
HE22
GLN
V
419
R
-
C
GLY
A
691
L
H
HE22
GLN
V
419
R
-
NZ
LYS
A
770
L
H
HE2
PHE
V
300
R
-
NZ
LYS
A
770
L
H
HZ
PHE
V
300
R
-
NH2
ARG
A
771
L
-
CE1
PHE
V
303
R
-
NH2
ARG
A
771
L
-
HE1
PHE
V
303
R
-
NH2
ARG
A
771
L
-
HZ
PHE
V
303
R
-
C
MET
A
774
L
H
HE1
PHE
V
456
R
-
O
MET
A
774
L
H
CE1
PHE
V
456
R
-
O
MET
A
774
L
H
CZ
PHE
V
456
R
-
O
MET
A
774
L
H
HE1
PHE
V
456
R
-
O
MET
A
774
L
H
HZ
PHE
V
456
R
-
SD
MET
A
774
L
H
CD2
TYR
V
320
R
-
SD
MET
A
774
L
H
HB2
TYR
V
320
R
-
SD
MET
A
774
L
H
HD2
TYR
V
320
R
-
CE
MET
A
774
L
H
CD2
TYR
V
320
R
-
CE
MET
A
774
L
H
HB2
TYR
V
320
R
-
CE
MET
A
774
L
H
HD2
TYR
V
320
R
-
CE
MET
A
774
L
-
HD12
LEU
V
446
R
-
CB
TYR
A
775
L
H
HG2
MET
V
443
R
-
CB
TYR
A
775
L
-
HD11
LEU
V
446
R
-
CB
TYR
A
775
L
-
HD13
LEU
V
446
R
-
CG
TYR
A
775
L
H
CG
MET
V
443
R
-
CG
TYR
A
775
L
H
SD
MET
V
443
R
-
CG
TYR
A
775
L
H
HG2
MET
V
443
R
-
CG
TYR
A
775
L
-
CD1
LEU
V
446
R
-
CG
TYR
A
775
L
-
HD11
LEU
V
446
R
-
CG
TYR
A
775
L
-
HD12
LEU
V
446
R
-
CG
TYR
A
775
L
-
HD13
LEU
V
446
R
-
CD1
TYR
A
775
L
H
CB
MET
V
443
R
-
CD1
TYR
A
775
L
H
CG
MET
V
443
R
-
CD1
TYR
A
775
L
H
SD
MET
V
443
R
-
CD1
TYR
A
775
L
H
HA
MET
V
443
R
-
CD1
TYR
A
775
L
H
HB2
MET
V
443
R
-
CD1
TYR
A
775
L
H
HG2
MET
V
443
R
-
CD1
TYR
A
775
L
H
HG3
MET
V
443
R
-
CD1
TYR
A
775
L
-
CD1
LEU
V
446
R
-
CD1
TYR
A
775
L
-
HD11
LEU
V
446
R
-
CD1
TYR
A
775
L
-
HD12
LEU
V
446
R
-
CD1
TYR
A
775
L
-
HD13
LEU
V
446
R
-
CD2
TYR
A
775
L
H
HG2
MET
V
443
R
-
CD2
TYR
A
775
L
-
CD1
LEU
V
446
R
-
CD2
TYR
A
775
L
-
HD11
LEU
V
446
R
-
CD2
TYR
A
775
L
-
HD12
LEU
V
446
R
-
CD2
TYR
A
775
L
-
HD13
LEU
V
446
R
-
CE1
TYR
A
775
L
H
CG
MET
V
443
R
-
CE1
TYR
A
775
L
H
SD
MET
V
443
R
-
CE1
TYR
A
775
L
H
HA
MET
V
443
R
-
CE1
TYR
A
775
L
H
HG2
MET
V
443
R
-
CE1
TYR
A
775
L
H
HG3
MET
V
443
R
-
CE1
TYR
A
775
L
-
CD1
LEU
V
446
R
-
CE1
TYR
A
775
L
-
HD11
LEU
V
446
R
-
CE1
TYR
A
775
L
-
HD12
LEU
V
446
R
-
CE2
TYR
A
775
L
H
HD2
TYR
V
320
R
-
CE2
TYR
A
775
L
-
HD12
LEU
V
446
R
-
OH
TYR
A
775
L
H
CD2
TYR
V
320
R
-
OH
TYR
A
775
L
H
HA
TYR
V
320
R
-
OH
TYR
A
775
L
H
HD2
TYR
V
320
R
-
OH
TYR
A
775
L
H
HE2
TYR
V
320
R
-
OH
TYR
A
775
L
H
CD2
LEU
V
323
R
-
OH
TYR
A
775
L
H
HD21
LEU
V
323
R
-
OH
TYR
A
775
L
H
HD22
LEU
V
323
R
-
OH
TYR
A
775
L
H
HD23
LEU
V
323
R
-
CZ
TYR
A
775
L
H
HD2
TYR
V
320
R
-
CZ
TYR
A
775
L
H
CG
MET
V
443
R
-
CZ
TYR
A
775
L
H
HG2
MET
V
443
R
-
CZ
TYR
A
775
L
H
HG3
MET
V
443
R
-
CZ
TYR
A
775
L
-
HD12
LEU
V
446
R
-
CA
LEU
A
776
L
H
SD
MET
V
443
R
-
CB
LEU
A
776
L
H
HB2
MET
V
443
R
-
CB
LEU
A
776
L
-
CD2
HIS
V
449
R
-
CB
LEU
A
776
L
-
HA
HIS
V
449
R
-
CB
LEU
A
776
L
-
HD2
HIS
V
449
R
-
CG
LEU
A
776
L
H
CB
MET
V
443
R
-
CG
LEU
A
776
L
H
CG
MET
V
443
R
-
CG
LEU
A
776
L
H
SD
MET
V
443
R
-
CG
LEU
A
776
L
H
CE
MET
V
443
R
-
CG
LEU
A
776
L
H
HB2
MET
V
443
R
-
CG
LEU
A
776
L
H
HB3
MET
V
443
R
-
CG
LEU
A
776
L
H
HG2
MET
V
443
R
-
CG
LEU
A
776
L
H
HE3
MET
V
443
R
-
CG
LEU
A
776
L
-
CD2
HIS
V
449
R
-
CG
LEU
A
776
L
-
NE2
HIS
V
449
R
-
CG
LEU
A
776
L
-
HD2
HIS
V
449
R
-
CG
LEU
A
776
L
-
HE2
HIS
V
449
R
-
CD1
LEU
A
776
L
H
CA
MET
V
443
R
-
CD1
LEU
A
776
L
H
C
MET
V
443
R
-
CD1
LEU
A
776
L
H
CB
MET
V
443
R
-
CD1
LEU
A
776
L
H
O
MET
V
443
R
-
CD1
LEU
A
776
L
H
CG
MET
V
443
R
-
CD1
LEU
A
776
L
H
SD
MET
V
443
R
-
CD1
LEU
A
776
L
H
HA
MET
V
443
R
-
CD1
LEU
A
776
L
H
HB2
MET
V
443
R
-
CD1
LEU
A
776
L
H
HB3
MET
V
443
R
-
CD1
LEU
A
776
L
H
HG2
MET
V
443
R
-
CD1
LEU
A
776
L
H
HG3
MET
V
443
R
-
CD1
LEU
A
776
L
H
HE3
MET
V
443
R
-
CD1
LEU
A
776
L
-
HB2
LEU
V
446
R
-
CD1
LEU
A
776
L
-
HD11
LEU
V
446
R
-
CD1
LEU
A
776
L
-
CD2
HIS
V
449
R
-
CD1
LEU
A
776
L
-
HB3
HIS
V
449
R
-
CD1
LEU
A
776
L
-
HD2
HIS
V
449
R
-
CD2
LEU
A
776
L
H
C
MET
V
443
R
-
CD2
LEU
A
776
L
H
CB
MET
V
443
R
-
CD2
LEU
A
776
L
H
O
MET
V
443
R
-
CD2
LEU
A
776
L
H
HB2
MET
V
443
R
-
CD2
LEU
A
776
L
H
HB3
MET
V
443
R
-
CD2
LEU
A
776
L
-
CB
HIS
V
449
R
-
CD2
LEU
A
776
L
-
CG
HIS
V
449
R
-
CD2
LEU
A
776
L
-
CD2
HIS
V
449
R
-
CD2
LEU
A
776
L
-
ND1
HIS
V
449
R
-
CD2
LEU
A
776
L
-
CE1
HIS
V
449
R
-
CD2
LEU
A
776
L
-
NE2
HIS
V
449
R
-
CD2
LEU
A
776
L
-
HA
HIS
V
449
R
-
CD2
LEU
A
776
L
-
HB3
HIS
V
449
R
-
CD2
LEU
A
776
L
-
HD2
HIS
V
449
R
-
CD2
LEU
A
776
L
-
HE2
HIS
V
449
R
-
CB
GLU
A
777
L
H
CE
MET
V
443
R
-
CB
GLU
A
777
L
H
HE1
MET
V
443
R
-
CB
GLU
A
777
L
H
HE3
MET
V
443
R
-
O
GLU
A
777
L
-
HE2
HIS
V
449
R
-
CG
GLU
A
777
L
H
OE1
GLU
V
440
R
-
CG
GLU
A
777
L
H
HG3
GLU
V
440
R
-
CG
GLU
A
777
L
H
HE1
MET
V
443
R
-
CG
GLU
A
777
L
H
HE3
MET
V
443
R
-
CD
GLU
A
777
L
H
CD1
LEU
V
436
R
-
CD
GLU
A
777
L
H
HD11
LEU
V
436
R
-
CD
GLU
A
777
L
H
HD13
LEU
V
436
R
-
CD
GLU
A
777
L
H
CG
GLU
V
440
R
-
CD
GLU
A
777
L
H
OE1
GLU
V
440
R
-
CD
GLU
A
777
L
H
HG2
GLU
V
440
R
-
CD
GLU
A
777
L
H
HG3
GLU
V
440
R
-
CD
GLU
A
777
L
H
CE
MET
V
443
R
-
CD
GLU
A
777
L
H
HE1
MET
V
443
R
-
CD
GLU
A
777
L
H
HE2
MET
V
443
R
-
CD
GLU
A
777
L
H
HE3
MET
V
443
R
-
OE1
GLU
A
777
L
H
CG
LEU
V
436
R
-
OE1
GLU
A
777
L
H
CD1
LEU
V
436
R
-
OE1
GLU
A
777
L
H
HG
LEU
V
436
R
-
OE1
GLU
A
777
L
H
HD11
LEU
V
436
R
-
OE1
GLU
A
777
L
H
HD12
LEU
V
436
R
-
OE1
GLU
A
777
L
H
HD13
LEU
V
436
R
-
OE1
GLU
A
777
L
H
CG
GLU
V
440
R
-
OE1
GLU
A
777
L
H
CD
GLU
V
440
R
-
OE1
GLU
A
777
L
H
OE1
GLU
V
440
R
-
OE1
GLU
A
777
L
H
HG2
GLU
V
440
R
-
OE1
GLU
A
777
L
H
HG3
GLU
V
440
R
-
OE1
GLU
A
777
L
H
HE1
MET
V
443
R
-
OE2
GLU
A
777
L
H
HD11
LEU
V
436
R
-
OE2
GLU
A
777
L
H
HD13
LEU
V
436
R
-
OE2
GLU
A
777
L
H
CG
GLU
V
440
R
-
OE2
GLU
A
777
L
H
HA
GLU
V
440
R
-
OE2
GLU
A
777
L
H
HG2
GLU
V
440
R
-
OE2
GLU
A
777
L
H
HG3
GLU
V
440
R
-
OE2
GLU
A
777
L
H
SD
MET
V
443
R
-
OE2
GLU
A
777
L
H
CE
MET
V
443
R
-
OE2
GLU
A
777
L
H
HE1
MET
V
443
R
-
OE2
GLU
A
777
L
H
HE2
MET
V
443
R
-
OE2
GLU
A
777
L
H
HE3
MET
V
443
R
-
CG
PHE
A
1340
L
-
HB3
HIS
V
450
R
-
CD1
PHE
A
1340
L
-
O
HIS
V
450
R
-
CD1
PHE
A
1340
L
-
HB3
HIS
V
450
R
-
CE1
PHE
A
1340
L
-
C
HIS
V
450
R
-
CE1
PHE
A
1340
L
-
CB
HIS
V
450
R
-
CE1
PHE
A
1340
L
-
O
HIS
V
450
R
-
CE1
PHE
A
1340
L
-
HB2
HIS
V
450
R
-
CE1
PHE
A
1340
L
-
HB3
HIS
V
450
R
-
CE1
PHE
A
1340
L
-
HD3
PRO
V
452
R
-
CE2
PHE
A
1340
L
-
HB3
HIS
V
450
R
-
CZ
PHE
A
1340
L
-
CB
HIS
V
450
R
-
CZ
PHE
A
1340
L
-
O
HIS
V
450
R
-
CZ
PHE
A
1340
L
-
HB2
HIS
V
450
R
-
CZ
PHE
A
1340
L
-
HB3
HIS
V
450
R
S
O
TRP
A
1343
L
-
HG2
PRO
V
452
R
S
N
SER
A
1345
L
-
HG2
PRO
V
452
R
S
CA
SER
A
1345
L
H
HB1
ALA
V
455
R
S
CB
SER
A
1345
L
-
HB3
PRO
V
452
R
S
CB
SER
A
1345
L
H
CB
ALA
V
455
R
S
CB
SER
A
1345
L
H
HB1
ALA
V
455
R
S
CB
SER
A
1345
L
H
HB2
ALA
V
455
R
S
CB
SER
A
1345
L
H
HB3
ALA
V
455
R
S
O
SER
A
1345
L
H
HB2
PRO
V
454
R
S
O
SER
A
1345
L
H
HG3
PRO
V
454
R
S
OG
SER
A
1345
L
-
HB3
PRO
V
452
R
S
OG
SER
A
1345
L
-
HG2
PRO
V
452
R
S
OG
SER
A
1345
L
-
HD2
PRO
V
452
R
S
OG
SER
A
1345
L
H
CB
ALA
V
455
R
S
OG
SER
A
1345
L
H
HB1
ALA
V
455
R
S
OG
SER
A
1345
L
H
HB2
ALA
V
455
R
S
OG
SER
A
1345
L
H
HB3
ALA
V
455
R
-
CA
SER
A
1347
L
H
HD2
LYS
V
458
R
-
CA
SER
A
1347
L
H
HZ3
LYS
V
458
R
-
C
SER
A
1347
L
H
HZ3
LYS
V
458
R
-
CB
SER
A
1347
L
H
HD2
LYS
V
458
R
-
CB
SER
A
1347
L
H
HZ3
LYS
V
458
R
-
N
THR
A
1348
L
H
NZ
LYS
V
458
R
-
N
THR
A
1348
L
H
HZ1
LYS
V
458
R
-
N
THR
A
1348
L
H
HZ2
LYS
V
458
R
-
N
THR
A
1348
L
H
HZ3
LYS
V
458
R
-
CA
THR
A
1348
L
H
HZ1
LYS
V
458
R
-
CA
THR
A
1348
L
H
HZ3
LYS
V
458
R
-
C
THR
A
1348
L
H
NZ
LYS
V
458
R
-
C
THR
A
1348
L
H
HZ1
LYS
V
458
R
-
C
THR
A
1348
L
H
HZ3
LYS
V
458
R
-
CB
THR
A
1348
L
H
HZ3
LYS
V
458
R
-
O
THR
A
1348
L
H
CE
LYS
V
458
R
-
O
THR
A
1348
L
H
NZ
LYS
V
458
R
-
O
THR
A
1348
L
H
HE3
LYS
V
458
R
-
O
THR
A
1348
L
H
HZ1
LYS
V
458
R
-
O
THR
A
1348
L
H
HZ2
LYS
V
458
R
-
O
THR
A
1348
L
H
HZ3
LYS
V
458
R
-
CG2
THR
A
1348
L
H
NZ
LYS
V
458
R
-
CG2
THR
A
1348
L
H
HZ1
LYS
V
458
R
-
CG2
THR
A
1348
L
H
HZ2
LYS
V
458
R
-
CG2
THR
A
1348
L
H
HZ3
LYS
V
458
R
-
O
GLU
A
1350
L
H
HZ1
LYS
V
458
R
-
O
ALA
A
1352
L
H
HZ2
LYS
V
458